| 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 | I | 52.2 | Low | 62 | Low | 185 Ų | 185 | 119.5 Ų | 119.5 | 95% | 0.949 | 58% | 0.576 | S | S | * | * | 0 | 118.1 | 0 | -59.6 | 172.6 | 0 | 0 | 0 | 106.6 | E5 | I1-E5 HydrophobicContact CG2-CB 4.44Š| |||
| 2 | N | 60.3 | Low | 63.8 | Low | 115 Ų | 115 | 112.6 Ų | 112.6 | 62% | 0.615 | 54% | 0.54 | S | S | * | . | trans | -77.9 | 144.3 | -170.3 | -142 | -21.2 | 0 | 0 | 0 | 109.7 | H4 E5 Q6 | N2-H4 PolarHBondContact O-N 2.94Å; N2-E5 HydrophobicContact CB-CG 4.22Å; N2-E5 PolarHBondContact N-OE2 3.17Å; N2-E5 WeakPolarHBondContact O-CB 3.48Å; N2-E5 PolarHBondContact O-N 2.99Å; N2-Q6 PolarHBondContact O-N 3.17Å | ||
| 3 | F | 52.9 | Low | 65.5 | Low | 171 Ų | 171 | 108 Ų | 108 | 75% | 0.75 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -55.3 | -28.1 | -178 | -162.1 | -95.6 | 0 | 0 | 0 | 112.4 | K7 | F3-K7 PolarHBondContact O-N 3.23Å |
| 4 | H | 54.5 | Low | 67 | Low | 151 Ų | 151 | 110.4 Ų | 110.4 | 70% | 0.699 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73.4 | -36.6 | 177.3 | -137.7 | -41.2 | 0 | 0 | 0 | 113.7 | N2 H8 | N2-H4 PolarHBondContact O-N 2.94Å; H4-H8 PolarHBondContact O-N 3.48Å; H4-H8 VanDerWaalsContact O-N 3.17Å |
| 5 | E | 57 | Low | 68.5 | Low | 119 Ų | 119 | 110.3 Ų | 110.3 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.1 | -38.7 | 174.9 | -69.4 | 171 | 153 | 0 | 0 | 110.5 | I1 N2 K7 H8 F9 | I1-E5 HydrophobicContact CG2-CB 4.44Å; N2-E5 HydrophobicContact CB-CG 4.22Å; N2-E5 PolarHBondContact N-OE2 3.17Å; N2-E5 WeakPolarHBondContact O-CB 3.48Å; N2-E5 PolarHBondContact O-N 2.99Å; E5-K7 PolarHBondContact O-N 3.23Å; E5-H8 PolarHBondContact O-N 2.94Å; E5-F9 WeakPolarHBondContact O-CB 3.49Å; E5-F9 PolarHBondContact O-N 2.97Å |
| 6 | Q | 59.8 | Low | 69.8 | Low | 108 Ų | 108 | 103.4 Ų | 103.4 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 178.7 | -145.4 | 169.8 | 11.4 | 0 | 0 | 111.7 | N2 L10 | N2-Q6 PolarHBondContact O-N 3.17Å; Q6-L10 WeakPolarHBondContact O-CB 3.39Å; Q6-L10 WeakPolarHBondContact O-CD1 3.19Å; Q6-L10 WeakPolarHBondContact O-CG 3.24Å; Q6-L10 PolarHBondContact O-N 3.41Å; Q6-L10 VanDerWaalsContact O-N 3.11Å |
| 7 | K | 61.8 | Low | 71 | Confident | 150 Ų | 150 | 100.6 Ų | 100.6 | 65% | 0.652 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.1 | -34.3 | 174.8 | -164.8 | 176.6 | -177.3 | 179.7 | 0 | 112.6 | F3 E5 S11 | F3-K7 PolarHBondContact O-N 3.23Å; E5-K7 PolarHBondContact O-N 3.23Å; K7-S11 PolarHBondContact O-N 3.18Å |
| 8 | H | 63.4 | Low | 72.1 | Confident | 94 Ų | 94 | 103.8 Ų | 103.8 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.1 | -49.2 | 178.1 | -155.1 | -117.2 | 0 | 0 | 0 | 110.8 | H4 E5 L10 S11 Y12 E229 | H4-H8 PolarHBondContact O-N 3.48Å; H4-H8 VanDerWaalsContact O-N 3.17Å; E5-H8 PolarHBondContact O-N 2.94Å; H8-L10 PolarHBondContact O-N 3.49Å; H8-S11 WeakPolarHBondContact O-CA 3.43Å; H8-S11 VanDerWaalsContact O-CB 3.24Å; H8-S11 WeakPolarHBondContact O-CB 3.41Å; H8-S11 PolarHBondContact O-N 3.36Å; H8-Y12 AromaticContact CE1-CE2 3.41Å; H8-Y12 VanDerWaalsContact CE1-CE2 3.41Å; H8-Y12 WeakPolarHBondContact CE1-CE2 3.21Å; H8-Y12 AromaticContact CE1-CZ 3.71Å; H8-Y12 PolarHBondContact CE1-OH 2.99Å; H8-Y12 AromaticContact ND1-CE2 3.39Å; H8-Y12 WeakPolarHBondContact ND1-CE2 3.16Å; H8-Y12 WeakPolarHBondContact O-CD2 2.86Å; H8-Y12 PolarHBondContact O-N 3.25Å; H8-E229 IonicContact CE1-OE1 3.49Å; H8-E229 PolarHBondContact CE1-OE1 3.11Å; H8-E229 IonicContact ND1-OE1 3.36Å; H8-E229 PolarHBondContact ND1-OE1 3.22Å; H8-E229 IonicContact ND1-OE2 3.96Å |
| 9 | F | 64.3 | Low | 73.1 | Confident | 74 Ų | 74 | 100 Ų | 100 | 33% | 0.325 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 176.4 | -173.5 | -97.4 | 0 | 0 | 0 | 112.7 | E5 S11 Y12 R13 M232 | E5-F9 WeakPolarHBondContact O-CB 3.49Å; E5-F9 PolarHBondContact O-N 2.97Å; F9-S11 PolarHBondContact O-N 3.36Å; F9-Y12 PolarHBondContact O-N 3.07Å; F9-R13 PolarHBondContact O-N 2.61Å; F9-R13 VanDerWaalsContact O-N 3.15Å; F9-M232 HydrophobicContact CD2-CE 3.95Å; F9-M232 HydrophobicContact CE1-CE 4.37Å; F9-M232 HydrophobicContact CE2-CE 3.39Å; F9-M232 HydrophobicContact CZ-CE 3.64Å |
| 10 | L | 73.8 | Confident | 74 | Confident | 105 Ų | 105 | 95 Ų | 95 | 55% | 0.55 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.6 | -30.7 | 174.1 | -73.8 | 167.8 | 0 | 0 | 0 | 112.7 | Q6 H8 W14 | Q6-L10 WeakPolarHBondContact O-CB 3.39Å; Q6-L10 WeakPolarHBondContact O-CD1 3.19Å; Q6-L10 WeakPolarHBondContact O-CG 3.24Å; Q6-L10 PolarHBondContact O-N 3.41Å; Q6-L10 VanDerWaalsContact O-N 3.11Å; H8-L10 PolarHBondContact O-N 3.49Å; L10-W14 WeakPolarHBondContact O-CB 3.17Å; L10-W14 PolarHBondContact O-N 3.15Å; L10-W14 VanDerWaalsContact O-N 3.07Å |
| 11 | S | 82.4 | Confident | 74.9 | Confident | 43 Ų | 43 | 92 Ų | 92 | 30% | 0.301 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.8 | -39.1 | 176.8 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | K7 H8 F9 R15 | K7-S11 PolarHBondContact O-N 3.18Å; H8-S11 WeakPolarHBondContact O-CA 3.43Å; H8-S11 VanDerWaalsContact O-CB 3.24Å; H8-S11 WeakPolarHBondContact O-CB 3.41Å; H8-S11 PolarHBondContact O-N 3.36Å; F9-S11 PolarHBondContact O-N 3.36Å; S11-R15 WeakPolarHBondContact O-CB 3.39Å; S11-R15 WeakPolarHBondContact O-CG 3.44Å; S11-R15 PolarHBondContact O-N 2.72Å; S11-R15 VanDerWaalsContact O-N 3.13Å |
| 12 | Y | 83.5 | Confident | 76.8 | Confident | 36 Ų | 36 | 87.9 Ų | 87.9 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.9 | -43 | 177.2 | -68.2 | -86.9 | 0 | 0 | 0 | 111.5 | H8 F9 W14 R15 L16 E229 Q233 | H8-Y12 AromaticContact CE1-CE2 3.41Å; H8-Y12 VanDerWaalsContact CE1-CE2 3.41Å; H8-Y12 WeakPolarHBondContact CE1-CE2 3.21Å; H8-Y12 AromaticContact CE1-CZ 3.71Å; H8-Y12 PolarHBondContact CE1-OH 2.99Å; H8-Y12 AromaticContact ND1-CE2 3.39Å; H8-Y12 WeakPolarHBondContact ND1-CE2 3.16Å; H8-Y12 WeakPolarHBondContact O-CD2 2.86Å; H8-Y12 PolarHBondContact O-N 3.25Å; F9-Y12 PolarHBondContact O-N 3.07Å; Y12-W14 PolarHBondContact O-N 2.9Å; Y12-R15 PolarHBondContact O-N 3.17Å; Y12-R15 VanDerWaalsContact O-N 3.16Å; Y12-L16 PolarHBondContact O-N 3.44Å; Y12-E229 HydrophobicContact CD1-CG 4.19Å; Y12-E229 HydrophobicContact CD2-CG 3.54Å; Y12-E229 HydrophobicContact CE1-CG 4.13Å; Y12-E229 HydrophobicContact CE2-CG 3.47Å; Y12-E229 VanDerWaalsContact CE2-CG 3.47Å; Y12-E229 WeakPolarHBondContact CE2-OE1 3.36Å; Y12-E229 HydrophobicContact CG-CG 3.88Å; Y12-E229 PolarHBondContact OH-OE1 3.13Å; Y12-Q233 HydrophobicContact CD1-CB 4.06Å; Y12-Q233 HydrophobicContact CE1-CB 4.11Å; Y12-Q233 HydrophobicContact CE1-CG 4.2Å |
| 13 | R | 85.1 | Confident | 78.4 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 20% | 0.2 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -54.8 | -52.1 | 175.7 | -167.3 | -169.3 | 177.9 | 132.7 | -3.8 | 111.5 | F9 R15 L16 Q17 S224 D225 M232 | F9-R13 PolarHBondContact O-N 2.61Å; F9-R13 VanDerWaalsContact O-N 3.15Å; R13-R15 VanDerWaalsContact C-N 3.32Å; R13-R15 PolarHBondContact O-N 2.83Å; R13-L16 PolarHBondContact O-N 2.72Å; R13-Q17 WeakPolarHBondContact O-CB 3.33Å; R13-Q17 VanDerWaalsContact O-CG 3.32Å; R13-Q17 WeakPolarHBondContact O-CG 3.46Å; R13-Q17 PolarHBondContact O-N 3.28Å; R13-S224 WeakPolarHBondContact CG-OG 3.48Å; R13-S224 PolarHBondContact NE-OG 3.23Å; R13-D225 IonicContact CZ-OD1 2.68Å; R13-D225 IonicContact NH1-OD1 3.91Å; R13-D225 PolarHBondContact NH1-OD1 3.48Å; R13-D225 VanDerWaalsContact NH2-CG 3.26Å; R13-D225 IonicContact NH2-OD1 3.77Å; R13-D225 PolarHBondContact NH2-OD1 3.43Å; R13-D225 IonicContact NH2-OD2 2.71Å; R13-D225 PolarHBondContact NH2-OD2 2.67Å; R13-M232 VanDerWaalsContact CA-SD 3.58Å; R13-M232 HydrophobicContact CB-SD 4Å; R13-M232 HydrophobicContact CG-SD 4.35Å |
| 14 | W | 87.3 | Confident | 80.3 | Confident | 142 Ų | 142 | 74.4 Ų | 74.4 | 54% | 0.538 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 178.5 | 178.3 | 86.1 | 0 | 0 | 0 | 112.6 | L10 Y12 R18 | L10-W14 WeakPolarHBondContact O-CB 3.17Å; L10-W14 PolarHBondContact O-N 3.15Å; L10-W14 VanDerWaalsContact O-N 3.07Å; Y12-W14 PolarHBondContact O-N 2.9Å; W14-R18 VanDerWaalsContact O-CB 3.26Å; W14-R18 WeakPolarHBondContact O-CB 3.45Å; W14-R18 PolarHBondContact O-N 3.27Å |
| 15 | R | 88.9 | Confident | 82 | Confident | 109 Ų | 109 | 68.5 Ų | 68.5 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 177 | -78.1 | 172.4 | -178.6 | -175.9 | 1.1 | 111.9 | S11 Y12 R13 T19 T236 | S11-R15 WeakPolarHBondContact O-CB 3.39Å; S11-R15 WeakPolarHBondContact O-CG 3.44Å; S11-R15 PolarHBondContact O-N 2.72Å; S11-R15 VanDerWaalsContact O-N 3.13Å; Y12-R15 PolarHBondContact O-N 3.17Å; Y12-R15 VanDerWaalsContact O-N 3.16Å; R13-R15 VanDerWaalsContact C-N 3.32Å; R13-R15 PolarHBondContact O-N 2.83Å; R15-T19 VanDerWaalsContact O-CB 3.25Å; R15-T19 WeakPolarHBondContact O-CB 3.44Å; R15-T19 PolarHBondContact O-N 2.97Å; R15-T19 PolarHBondContact O-OG1 3.01Å; R15-T236 HydrophobicContact CB-CG2 4.46Å |
| 16 | L | 90.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -53.6 | 177.2 | 175.6 | 62.7 | 0 | 0 | 0 | 110.3 | Y12 R13 R18 T19 L20 L227 M232 M235 T236 | Y12-L16 PolarHBondContact O-N 3.44Å; R13-L16 PolarHBondContact O-N 2.72Å; L16-R18 VanDerWaalsContact C-N 3.35Å; L16-R18 PolarHBondContact O-N 3.48Å; L16-T19 PolarHBondContact O-N 3.41Å; L16-L20 HydrophobicContact CD1-CB 4.47Å; L16-L20 VanDerWaalsContact O-CB 3.27Å; L16-L20 WeakPolarHBondContact O-CB 3.25Å; L16-L20 PolarHBondContact O-N 3.05Å; L16-L227 HydrophobicContact CD2-CD1 3.65Å; L16-M232 HydrophobicContact CB-CB 4.45Å; L16-M232 HydrophobicContact CD2-CB 4.11Å; L16-M232 HydrophobicContact CD2-CG 3.79Å; L16-M235 HydrophobicContact CD1-CB 3.69Å; L16-M235 HydrophobicContact CD2-SD 4.43Å; L16-T236 WeakPolarHBondContact CA-OG1 3.32Å |
| 17 | Q | 89.8 | Confident | 85.5 | Confident | 56 Ų | 56 | 59.1 Ų | 59.1 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53.8 | -51.5 | -179.7 | -74 | -179.2 | -37.1 | 0 | 0 | 111.2 | R13 T19 C21 V222 | R13-Q17 WeakPolarHBondContact O-CB 3.33Å; R13-Q17 VanDerWaalsContact O-CG 3.32Å; R13-Q17 WeakPolarHBondContact O-CG 3.46Å; R13-Q17 PolarHBondContact O-N 3.28Å; Q17-T19 PolarHBondContact O-N 2.98Å; Q17-C21 WeakPolarHBondContact O-CB 3.44Å; Q17-C21 PolarHBondContact O-N 2.75Å; Q17-C21 PolarHBondContact O-SG 3Å; Q17-V222 HydrophobicContact CB-CB 4.37Å; Q17-V222 HydrophobicContact CB-CG1 4.49Å; Q17-V222 HydrophobicContact CG-CB 4Å; Q17-V222 HydrophobicContact CG-CG1 3.91Å; Q17-V222 PolarHBondContact NE2-O 3.47Å |
| 18 | R | 90.3 | Very high | 86.9 | Confident | 157 Ų | 157 | 52.5 Ų | 52.5 | 59% | 0.592 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.6 | -47 | 179.4 | -177.5 | 178.2 | 178.2 | -172.4 | 0.1 | 112.6 | W14 L16 Q22 | W14-R18 VanDerWaalsContact O-CB 3.26Å; W14-R18 WeakPolarHBondContact O-CB 3.45Å; W14-R18 PolarHBondContact O-N 3.27Å; L16-R18 VanDerWaalsContact C-N 3.35Å; L16-R18 PolarHBondContact O-N 3.48Å; R18-Q22 WeakPolarHBondContact O-CB 3.26Å; R18-Q22 PolarHBondContact O-N 3.17Å |
| 19 | T | 91.9 | Very high | 88.3 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.8 | -42.2 | -174.4 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | R15 L16 Q17 Y23 T236 I239 K240 | R15-T19 VanDerWaalsContact O-CB 3.25Å; R15-T19 WeakPolarHBondContact O-CB 3.44Å; R15-T19 PolarHBondContact O-N 2.97Å; R15-T19 PolarHBondContact O-OG1 3.01Å; L16-T19 PolarHBondContact O-N 3.41Å; Q17-T19 PolarHBondContact O-N 2.98Å; T19-Y23 PolarHBondContact O-N 3.43Å; T19-Y23 VanDerWaalsContact O-N 3.08Å; T19-T236 HydrophobicContact CG2-CG2 4.49Å; T19-I239 HydrophobicContact CG2-CB 3.98Å; T19-I239 HydrophobicContact CG2-CG2 3.64Å; T19-K240 HydrophobicContact CG2-CG 4.01Å |
| 20 | L | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.3 | -44.6 | 179.4 | -174.9 | 57.1 | 0 | 0 | 0 | 112.2 | L16 Q22 Y23 V24 V133 I139 I140 V222 I239 F519 | L16-L20 HydrophobicContact CD1-CB 4.47Å; L16-L20 VanDerWaalsContact O-CB 3.27Å; L16-L20 WeakPolarHBondContact O-CB 3.25Å; L16-L20 PolarHBondContact O-N 3.05Å; L20-Q22 VanDerWaalsContact C-N 3.28Å; L20-Q22 PolarHBondContact O-N 2.66Å; L20-Y23 PolarHBondContact O-N 3.16Å; L20-V24 HydrophobicContact CD1-CG2 4.34Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 2.91Å; L20-V133 HydrophobicContact CD1-CG1 3.89Å; L20-I139 HydrophobicContact CD2-CG2 3.78Å; L20-I140 HydrophobicContact CD1-CD1 3.83Å; L20-I140 HydrophobicContact CD1-CG1 4.47Å; L20-I140 HydrophobicContact CD2-CD1 3.89Å; L20-I140 HydrophobicContact CD2-CG1 3.65Å; L20-I140 HydrophobicContact CG-CD1 4.01Å; L20-I140 HydrophobicContact CG-CG1 4.11Å; L20-V222 HydrophobicContact CB-CG2 4.19Å; L20-V222 HydrophobicContact CD2-CG1 3.93Å; L20-V222 HydrophobicContact CD2-CG2 3.94Å; L20-V222 HydrophobicContact CG-CG2 4.03Å; L20-I239 HydrophobicContact CD1-CD1 3.65Å; L20-I239 HydrophobicContact CD1-CG1 3.94Å; L20-F519 HydrophobicContact CD1-CE1 4.38Å; L20-F519 HydrophobicContact CD1-CE2 4.47Å; L20-F519 HydrophobicContact CD1-CZ 3.72Å; L20-F519 HydrophobicContact CD2-CE1 4.18Å; L20-F519 HydrophobicContact CD2-CZ 3.89Å; L20-F519 HydrophobicContact CG-CZ 4.46Å |
| 21 | C | 91 | Very high | 90.6 | Very high | 32 Ų | 32 | 43 Ų | 43 | 22% | 0.216 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.3 | -44.2 | 173.5 | -78 | 0 | 0 | 0 | 0 | 111.1 | Q17 V24 T25 V222 | Q17-C21 WeakPolarHBondContact O-CB 3.44Å; Q17-C21 PolarHBondContact O-N 2.75Å; Q17-C21 PolarHBondContact O-SG 3Å; C21-V24 PolarHBondContact O-N 3.26Å; C21-T25 VanDerWaalsContact O-CB 3.29Å; C21-T25 WeakPolarHBondContact O-CB 3.46Å; C21-T25 PolarHBondContact O-N 2.8Å; C21-T25 PolarHBondContact O-OG1 3.32Å; C21-V222 WeakPolarHBondContact SG-CG2 3.32Å |
| 22 | Q | 92.1 | Very high | 91 | Very high | 99 Ų | 99 | 41 Ų | 41 | 46% | 0.463 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 177.5 | -172.4 | 65.8 | 51.6 | 0 | 0 | 111.2 | R18 L20 V24 T25 D26 | R18-Q22 WeakPolarHBondContact O-CB 3.26Å; R18-Q22 PolarHBondContact O-N 3.17Å; L20-Q22 VanDerWaalsContact C-N 3.28Å; L20-Q22 PolarHBondContact O-N 2.66Å; Q22-V24 VanDerWaalsContact C-N 3.3Å; Q22-V24 PolarHBondContact O-N 3.33Å; Q22-T25 PolarHBondContact O-N 2.95Å; Q22-D26 PolarHBondContact NE2-OD1 2.94Å; Q22-D26 PolarHBondContact NE2-OD2 3.39Å; Q22-D26 WeakPolarHBondContact O-CB 3.4Å; Q22-D26 PolarHBondContact O-N 3.36Å |
| 23 | Y | 93.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -41 | -179.5 | -175.3 | -94.8 | 0 | 0 | 0 | 112.9 | T19 L20 T27 T129 S130 V133 F134 I239 L242 D243 R246 | T19-Y23 PolarHBondContact O-N 3.43Å; T19-Y23 VanDerWaalsContact O-N 3.08Å; L20-Y23 PolarHBondContact O-N 3.16Å; Y23-T27 PolarHBondContact O-N 3.45Å; Y23-T27 PolarHBondContact O-OG1 3.33Å; Y23-T129 HydrophobicContact CE1-CG2 4.38Å; Y23-S130 PolarHBondContact OH-N 3.05Å; Y23-V133 HydrophobicContact CD1-CG1 3.99Å; Y23-V133 HydrophobicContact CD1-CG2 4.48Å; Y23-V133 HydrophobicContact CE1-CB 4.11Å; Y23-V133 HydrophobicContact CE1-CG1 4.01Å; Y23-V133 HydrophobicContact CE1-CG2 3.89Å; Y23-F134 HydrophobicContact CE1-CE2 4.18Å; Y23-I239 HydrophobicContact CD1-CD1 4.27Å; Y23-I239 HydrophobicContact CD2-CG2 3.94Å; Y23-I239 HydrophobicContact CG-CD1 4.46Å; Y23-I239 HydrophobicContact CG-CG2 3.79Å; Y23-L242 HydrophobicContact CE2-CB 3.75Å; Y23-D243 HydrophobicContact CD2-CB 4.18Å; Y23-R246 VanDerWaalsContact CE1-NH2 3.33Å; Y23-R246 VanDerWaalsContact CE2-NH2 3.33Å; Y23-R246 VanDerWaalsContact CZ-CZ 3.46Å; Y23-R246 PolarHBondContact O-NH1 3.4Å; Y23-R246 VanDerWaalsContact O-NH1 3.08Å; Y23-R246 PolarHBondContact OH-NH2 3.19Å |
| 24 | V | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68 | -46.2 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L20 C21 Q22 D26 T27 L28 F134 I140 L142 I220 | L20-V24 HydrophobicContact CD1-CG2 4.34Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 2.91Å; C21-V24 PolarHBondContact O-N 3.26Å; Q22-V24 VanDerWaalsContact C-N 3.3Å; Q22-V24 PolarHBondContact O-N 3.33Å; V24-D26 VanDerWaalsContact C-N 3.31Å; V24-D26 PolarHBondContact O-N 3.26Å; V24-T27 WeakPolarHBondContact O-CB 3.4Å; V24-T27 PolarHBondContact O-N 2.86Å; V24-T27 VanDerWaalsContact O-N 3.17Å; V24-L28 HydrophobicContact CG1-CG 4.48Å; V24-L28 WeakPolarHBondContact O-CG 3.49Å; V24-L28 PolarHBondContact O-N 3.48Å; V24-F134 HydrophobicContact CB-CE1 4.4Å; V24-F134 HydrophobicContact CG1-CE1 4.09Å; V24-F134 HydrophobicContact CG2-CE1 3.99Å; V24-F134 HydrophobicContact CG2-CZ 4.16Å; V24-I140 HydrophobicContact CG2-CD1 4.09Å; V24-I140 HydrophobicContact CG2-CG2 4.26Å; V24-L142 HydrophobicContact CG1-CD2 3.79Å; V24-I220 HydrophobicContact CB-CD1 4.48Å; V24-I220 HydrophobicContact CB-CG2 4.39Å; V24-I220 HydrophobicContact CG1-CD1 3.83Å; V24-I220 HydrophobicContact CG1-CG1 4.22Å; V24-I220 HydrophobicContact CG1-CG2 4.02Å |
| 25 | T | 91.9 | Very high | 91.8 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 17% | 0.172 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | C21 Q22 T27 L28 T29 A217 I220 | C21-T25 VanDerWaalsContact O-CB 3.29Å; C21-T25 WeakPolarHBondContact O-CB 3.46Å; C21-T25 PolarHBondContact O-N 2.8Å; C21-T25 PolarHBondContact O-OG1 3.32Å; Q22-T25 PolarHBondContact O-N 2.95Å; T25-T27 PolarHBondContact O-N 2.96Å; T25-L28 PolarHBondContact O-N 2.71Å; T25-T29 WeakPolarHBondContact O-CB 3.16Å; T25-T29 PolarHBondContact O-N 3.34Å; T25-T29 PolarHBondContact O-OG1 3.2Å; T25-A217 HydrophobicContact CG2-CB 3.67Å; T25-I220 VanDerWaalsContact OG1-CD1 3.28Å; T25-I220 WeakPolarHBondContact OG1-CD1 3.32Å |
| 26 | D | 93.9 | Very high | 91.9 | Very high | 29 Ų | 29 | 32 Ų | 32 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 177.5 | -66.7 | -20 | 0 | 0 | 0 | 110.7 | Q22 V24 L28 T29 Y30 | Q22-D26 PolarHBondContact NE2-OD1 2.94Å; Q22-D26 PolarHBondContact NE2-OD2 3.39Å; Q22-D26 WeakPolarHBondContact O-CB 3.4Å; Q22-D26 PolarHBondContact O-N 3.36Å; V24-D26 VanDerWaalsContact C-N 3.31Å; V24-D26 PolarHBondContact O-N 3.26Å; D26-L28 PolarHBondContact O-N 3.25Å; D26-T29 WeakPolarHBondContact O-CB 3.2Å; D26-T29 PolarHBondContact O-N 2.87Å; D26-Y30 HydrophobicContact CB-CE2 3.99Å; D26-Y30 WeakPolarHBondContact O-CD2 3.47Å; D26-Y30 WeakPolarHBondContact O-CE2 3.35Å; D26-Y30 VanDerWaalsContact O-CG 3.27Å; D26-Y30 PolarHBondContact O-N 2.93Å |
| 27 | T | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.1 | -50.3 | 174.2 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | Y23 V24 T25 T29 Y30 M31 L126 T129 F134 V151 I155 R246 | Y23-T27 PolarHBondContact O-N 3.45Å; Y23-T27 PolarHBondContact O-OG1 3.33Å; V24-T27 WeakPolarHBondContact O-CB 3.4Å; V24-T27 PolarHBondContact O-N 2.86Å; V24-T27 VanDerWaalsContact O-N 3.17Å; T25-T27 PolarHBondContact O-N 2.96Å; T27-T29 VanDerWaalsContact C-N 3.26Å; T27-T29 PolarHBondContact O-N 3.21Å; T27-Y30 PolarHBondContact O-N 3.45Å; T27-M31 HydrophobicContact CG2-SD 4.18Å; T27-M31 WeakPolarHBondContact O-CG 3.39Å; T27-M31 PolarHBondContact O-N 3.08Å; T27-L126 HydrophobicContact CG2-CD2 3.92Å; T27-T129 HydrophobicContact CG2-CG2 4.23Å; T27-F134 HydrophobicContact CG2-CE1 4.47Å; T27-F134 HydrophobicContact CG2-CE2 3.88Å; T27-F134 HydrophobicContact CG2-CZ 3.7Å; T27-F134 WeakPolarHBondContact OG1-CZ 3.23Å; T27-V151 HydrophobicContact CG2-CG1 4.07Å; T27-I155 HydrophobicContact CG2-CD1 4.45Å; T27-R246 PolarHBondContact OG1-NH2 3.44Å |
| 28 | L | 92.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.9 | -34.1 | 179.2 | -67.5 | -166.6 | 0 | 0 | 0 | 111.9 | V24 T25 D26 M31 A32 P143 I146 V151 I212 I220 | V24-L28 HydrophobicContact CG1-CG 4.48Å; V24-L28 WeakPolarHBondContact O-CG 3.49Å; V24-L28 PolarHBondContact O-N 3.48Å; T25-L28 PolarHBondContact O-N 2.71Å; D26-L28 PolarHBondContact O-N 3.25Å; L28-M31 HydrophobicContact CD2-CE 4.28Å; L28-M31 HydrophobicContact CD2-SD 3.71Å; L28-M31 WeakPolarHBondContact O-CB 3.45Å; L28-M31 PolarHBondContact O-N 3.46Å; L28-A32 WeakPolarHBondContact O-CB 3.27Å; L28-A32 PolarHBondContact O-N 2.96Å; L28-P143 HydrophobicContact CD1-CG 4.26Å; L28-I146 HydrophobicContact CD1-CD1 4.17Å; L28-I146 HydrophobicContact CD2-CD1 4.26Å; L28-I146 HydrophobicContact CD2-CG2 4.32Å; L28-V151 HydrophobicContact CD2-CG2 4Å; L28-I212 HydrophobicContact CB-CD1 3.99Å; L28-I212 HydrophobicContact CD2-CD1 4.01Å; L28-I212 HydrophobicContact CG-CD1 4.47Å; L28-I212 VanDerWaalsContact O-CD1 3.32Å; L28-I212 WeakPolarHBondContact O-CD1 3.35Å; L28-I220 HydrophobicContact CD1-CD1 4.03Å; L28-I220 HydrophobicContact CD1-CG1 4.39Å |
| 29 | T | 92.7 | Very high | 91.8 | Very high | 44 Ų | 44 | 30.6 Ų | 30.6 | 27% | 0.27 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66 | -41.6 | 175.4 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | T25 D26 T27 A32 T33 M214 | T25-T29 WeakPolarHBondContact O-CB 3.16Å; T25-T29 PolarHBondContact O-N 3.34Å; T25-T29 PolarHBondContact O-OG1 3.2Å; D26-T29 WeakPolarHBondContact O-CB 3.2Å; D26-T29 PolarHBondContact O-N 2.87Å; T27-T29 VanDerWaalsContact C-N 3.26Å; T27-T29 PolarHBondContact O-N 3.21Å; T29-A32 PolarHBondContact O-N 3.01Å; T29-T33 PolarHBondContact O-N 3.21Å; T29-T33 PolarHBondContact O-OG1 2.86Å; T29-M214 HydrophobicContact CG2-SD 4.34Å |
| 30 | Y | 94.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 174.1 | -54.7 | -40.4 | 0 | 0 | 0 | 111.8 | D26 T27 A32 T33 V34 A122 K125 M247 | D26-Y30 HydrophobicContact CB-CE2 3.99Å; D26-Y30 WeakPolarHBondContact O-CD2 3.47Å; D26-Y30 WeakPolarHBondContact O-CE2 3.35Å; D26-Y30 VanDerWaalsContact O-CG 3.27Å; D26-Y30 PolarHBondContact O-N 2.93Å; T27-Y30 PolarHBondContact O-N 3.45Å; Y30-A32 VanDerWaalsContact C-N 3.34Å; Y30-A32 PolarHBondContact O-N 3.21Å; Y30-T33 WeakPolarHBondContact O-CB 3.45Å; Y30-T33 PolarHBondContact O-N 3.26Å; Y30-V34 WeakPolarHBondContact O-CB 3.43Å; Y30-V34 WeakPolarHBondContact O-CG2 3.49Å; Y30-V34 PolarHBondContact O-N 2.77Å; Y30-A122 HydrophobicContact CD1-CB 4.45Å; Y30-K125 HydrophobicContact CD1-CD 4.13Å; Y30-K125 HydrophobicContact CD2-CB 3.91Å; Y30-K125 HydrophobicContact CD2-CD 4.49Å; Y30-K125 HydrophobicContact CE1-CD 3.62Å; Y30-K125 HydrophobicContact CE2-CB 3.95Å; Y30-K125 HydrophobicContact CE2-CD 4.02Å; Y30-K125 HydrophobicContact CG-CB 4.3Å; Y30-M247 WeakPolarHBondContact OH-CE 3.46Å |
| 31 | M | 92.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 173.5 | -68.6 | 169.9 | 59.9 | 0 | 0 | 111.7 | T27 L28 V34 K35 L126 V151 V154 F210 I212 | T27-M31 HydrophobicContact CG2-SD 4.18Å; T27-M31 WeakPolarHBondContact O-CG 3.39Å; T27-M31 PolarHBondContact O-N 3.08Å; L28-M31 HydrophobicContact CD2-CE 4.28Å; L28-M31 HydrophobicContact CD2-SD 3.71Å; L28-M31 WeakPolarHBondContact O-CB 3.45Å; L28-M31 PolarHBondContact O-N 3.46Å; M31-V34 PolarHBondContact O-N 2.88Å; M31-K35 PolarHBondContact O-N 2.99Å; M31-L126 HydrophobicContact CG-CD1 4.42Å; M31-L126 HydrophobicContact CG-CD2 3.85Å; M31-V151 HydrophobicContact CE-CB 4.34Å; M31-V151 HydrophobicContact CE-CG2 3.94Å; M31-V151 HydrophobicContact SD-CB 4.21Å; M31-V151 HydrophobicContact SD-CG1 3.87Å; M31-V151 HydrophobicContact SD-CG2 3.99Å; M31-V154 HydrophobicContact CE-CB 4.4Å; M31-V154 HydrophobicContact CE-CG2 4.13Å; M31-V154 HydrophobicContact CG-CB 4.34Å; M31-V154 HydrophobicContact CG-CG1 3.81Å; M31-F210 HydrophobicContact CB-CZ 4.38Å; M31-F210 HydrophobicContact CE-CD2 4.41Å; M31-F210 HydrophobicContact CE-CE1 4.04Å; M31-F210 HydrophobicContact CE-CE2 3.49Å; M31-F210 VanDerWaalsContact CE-CE2 3.49Å; M31-F210 HydrophobicContact CE-CZ 3.29Å; M31-I212 HydrophobicContact CB-CD1 3.84Å; M31-I212 HydrophobicContact CE-CD1 4.23Å |
| 32 | A | 90.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L28 T29 Y30 V34 K35 D36 I212 | L28-A32 WeakPolarHBondContact O-CB 3.27Å; L28-A32 PolarHBondContact O-N 2.96Å; T29-A32 PolarHBondContact O-N 3.01Å; Y30-A32 VanDerWaalsContact C-N 3.34Å; Y30-A32 PolarHBondContact O-N 3.21Å; A32-V34 VanDerWaalsContact C-N 3.26Å; A32-V34 PolarHBondContact O-N 3.45Å; A32-K35 WeakPolarHBondContact O-CB 3.44Å; A32-K35 PolarHBondContact O-N 3.39Å; A32-K35 VanDerWaalsContact O-N 3.08Å; A32-D36 PolarHBondContact O-N 3.05Å; A32-I212 HydrophobicContact CB-CG1 4.38Å; A32-I212 HydrophobicContact CB-CG2 4.28Å |
| 33 | T | 92.7 | Very high | 91.9 | Very high | 36 Ų | 36 | 37.6 Ų | 37.6 | 22% | 0.221 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -42 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | T29 Y30 F37 T118 A122 | T29-T33 PolarHBondContact O-N 3.21Å; T29-T33 PolarHBondContact O-OG1 2.86Å; Y30-T33 WeakPolarHBondContact O-CB 3.45Å; Y30-T33 PolarHBondContact O-N 3.26Å; T33-F37 PolarHBondContact O-N 2.88Å; T33-T118 HydrophobicContact CG2-CG2 3.91Å; T33-A122 HydrophobicContact CG2-CB 3.87Å |
| 34 | V | 91.4 | Very high | 92 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.9 | -44 | 176.8 | 160.9 | 0 | 0 | 0 | 0 | 111.8 | Y30 M31 A32 F37 Y38 F119 A122 V123 L126 H204 | Y30-V34 WeakPolarHBondContact O-CB 3.43Å; Y30-V34 WeakPolarHBondContact O-CG2 3.49Å; Y30-V34 PolarHBondContact O-N 2.77Å; M31-V34 PolarHBondContact O-N 2.88Å; A32-V34 VanDerWaalsContact C-N 3.26Å; A32-V34 PolarHBondContact O-N 3.45Å; V34-F37 PolarHBondContact O-N 3.06Å; V34-Y38 HydrophobicContact CG1-CD2 4.24Å; V34-Y38 HydrophobicContact CG1-CE2 3.38Å; V34-Y38 WeakPolarHBondContact CG1-OH 3.34Å; V34-Y38 WeakPolarHBondContact O-CD2 3.48Å; V34-Y38 PolarHBondContact O-N 2.9Å; V34-F119 HydrophobicContact CB-CD2 4.46Å; V34-F119 HydrophobicContact CB-CE2 4.35Å; V34-F119 HydrophobicContact CG1-CE2 4.03Å; V34-F119 HydrophobicContact CG2-CD2 4.16Å; V34-F119 HydrophobicContact CG2-CE2 4.14Å; V34-A122 HydrophobicContact CG2-CB 3.95Å; V34-V123 HydrophobicContact CG2-CG2 3.73Å; V34-L126 HydrophobicContact CG2-CD1 3.81Å; V34-H204 VanDerWaalsContact CG1-CE1 3.42Å; V34-H204 WeakPolarHBondContact CG1-CE1 3.38Å |
| 35 | K | 89.1 | Confident | 92 | Very high | 29 Ų | 29 | 40.2 Ų | 40.2 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -47.6 | 177 | -179.4 | -178.5 | 169.7 | -175.7 | 0 | 112 | M31 A32 F37 Y38 E39 F210 D211 I212 | M31-K35 PolarHBondContact O-N 2.99Å; A32-K35 WeakPolarHBondContact O-CB 3.44Å; A32-K35 PolarHBondContact O-N 3.39Å; A32-K35 VanDerWaalsContact O-N 3.08Å; K35-F37 PolarHBondContact O-N 3.48Å; K35-Y38 WeakPolarHBondContact O-CA 3.3Å; K35-Y38 WeakPolarHBondContact O-CB 3.37Å; K35-Y38 PolarHBondContact O-N 3.33Å; K35-E39 WeakPolarHBondContact CE-OE1 3.28Å; K35-E39 PolarHBondContact O-N 3.16Å; K35-E39 VanDerWaalsContact O-N 3.14Å; K35-F210 PolarHBondContact NZ-O 2.98Å; K35-D211 IonicContact NZ-OD1 3.02Å; K35-I212 HydrophobicContact CB-CG2 4.34Å; K35-I212 HydrophobicContact CD-CG2 3.58Å |
| 36 | D | 89.8 | Confident | 91.9 | Very high | 86 Ų | 86 | 43.1 Ų | 43.1 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.6 | -40.5 | 179.7 | -68.3 | -10.9 | 0 | 0 | 0 | 110.7 | A32 Y38 E39 I40 | A32-D36 PolarHBondContact O-N 3.05Å; D36-Y38 PolarHBondContact O-N 3.45Å; D36-E39 PolarHBondContact O-N 3.43Å; D36-I40 PolarHBondContact O-N 3.04Å |
| 37 | F | 91.9 | Very high | 91.9 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -37.5 | 175.2 | -171.4 | -100.8 | 0 | 0 | 0 | 112.9 | T33 V34 K35 E39 I40 F41 W44 L116 F119 | T33-F37 PolarHBondContact O-N 2.88Å; V34-F37 PolarHBondContact O-N 3.06Å; K35-F37 PolarHBondContact O-N 3.48Å; F37-E39 VanDerWaalsContact C-N 3.3Å; F37-E39 PolarHBondContact O-N 2.9Å; F37-I40 HydrophobicContact CD2-CD1 4.27Å; F37-I40 HydrophobicContact CD2-CG1 4.35Å; F37-I40 CarbonylContact O-C 3.57Å; F37-I40 WeakPolarHBondContact O-CG1 3.45Å; F37-I40 PolarHBondContact O-N 2.79Å; F37-F41 HydrophobicContact CD1-CD2 4.47Å; F37-F41 AromaticContact CE1-CD2 3.66Å; F37-F41 HydrophobicContact CE1-CD2 3.66Å; F37-F41 HydrophobicContact CE1-CE2 4.39Å; F37-F41 HydrophobicContact CZ-CD2 4.14Å; F37-F41 WeakPolarHBondContact O-CA 3.48Å; F37-F41 WeakPolarHBondContact O-CB 3.35Å; F37-F41 PolarHBondContact O-N 3.21Å; F37-W44 HydrophobicContact CE2-CG 4.22Å; F37-W44 HydrophobicContact CZ-CD2 4.04Å; F37-W44 HydrophobicContact CZ-CE3 4.43Å; F37-W44 HydrophobicContact CZ-CG 4.15Å; F37-L116 HydrophobicContact CE1-CD1 3.84Å; F37-L116 HydrophobicContact CE2-CB 4.48Å; F37-L116 HydrophobicContact CE2-CD1 4.28Å; F37-L116 HydrophobicContact CZ-CB 4.37Å; F37-L116 HydrophobicContact CZ-CD1 3.49Å; F37-L116 VanDerWaalsContact CZ-CD1 3.49Å; F37-F119 HydrophobicContact CB-CB 3.85Å; F37-F119 HydrophobicContact CB-CD2 3.56Å; F37-F119 HydrophobicContact CB-CE2 4.42Å; F37-F119 HydrophobicContact CB-CG 3.95Å; F37-F119 HydrophobicContact CD1-CB 3.88Å; F37-F119 AromaticContact CD1-CD1 3.84Å; F37-F119 HydrophobicContact CD1-CD1 3.84Å; F37-F119 AromaticContact CD1-CD2 3.48Å; F37-F119 HydrophobicContact CD1-CD2 3.48Å; F37-F119 VanDerWaalsContact CD1-CD2 3.48Å; F37-F119 HydrophobicContact CD1-CE1 4.26Å; F37-F119 AromaticContact CD1-CE2 3.92Å; F37-F119 HydrophobicContact CD1-CE2 3.92Å; F37-F119 AromaticContact CD1-CG 3.44Å; F37-F119 HydrophobicContact CD1-CG 3.44Å; F37-F119 VanDerWaalsContact CD1-CG 3.44Å; F37-F119 HydrophobicContact CD1-CZ 4.3Å; F37-F119 HydrophobicContact CD2-CB 3.82Å; F37-F119 HydrophobicContact CD2-CG 4.32Å; F37-F119 HydrophobicContact CE1-CB 4.41Å; F37-F119 AromaticContact CE1-CD1 3.96Å; F37-F119 HydrophobicContact CE1-CD1 3.96Å; F37-F119 HydrophobicContact CE1-CD2 4.4Å; F37-F119 HydrophobicContact CE1-CE1 4.35Å; F37-F119 AromaticContact CE1-CG 3.99Å; F37-F119 HydrophobicContact CE1-CG 3.99Å; F37-F119 HydrophobicContact CE2-CB 4.38Å; F37-F119 HydrophobicContact CG-CB 3.55Å; F37-F119 HydrophobicContact CG-CD1 4.41Å; F37-F119 AromaticContact CG-CD2 3.68Å; F37-F119 HydrophobicContact CG-CD2 3.68Å; F37-F119 AromaticContact CG-CG 3.62Å; F37-F119 HydrophobicContact CG-CG 3.62Å |
| 38 | Y | 88.3 | Confident | 91.9 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 15% | 0.145 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -34.1 | 176.1 | -65 | -34.4 | 0 | 0 | 0 | 113.3 | V34 K35 D36 I40 F41 F119 C201 H204 S208 | V34-Y38 HydrophobicContact CG1-CD2 4.24Å; V34-Y38 HydrophobicContact CG1-CE2 3.38Å; V34-Y38 WeakPolarHBondContact CG1-OH 3.34Å; V34-Y38 WeakPolarHBondContact O-CD2 3.48Å; V34-Y38 PolarHBondContact O-N 2.9Å; K35-Y38 WeakPolarHBondContact O-CA 3.3Å; K35-Y38 WeakPolarHBondContact O-CB 3.37Å; K35-Y38 PolarHBondContact O-N 3.33Å; D36-Y38 PolarHBondContact O-N 3.45Å; Y38-I40 VanDerWaalsContact C-N 3.29Å; Y38-I40 PolarHBondContact O-N 2.75Å; Y38-F41 PolarHBondContact O-N 3.4Å; Y38-F119 HydrophobicContact CD1-CE2 4.45Å; Y38-F119 AromaticContact CE1-CE2 3.61Å; Y38-F119 HydrophobicContact CE1-CE2 3.61Å; Y38-F119 AromaticContact CE1-CZ 3.83Å; Y38-F119 HydrophobicContact CE1-CZ 3.83Å; Y38-F119 AromaticContact CZ-CE2 3.72Å; Y38-F119 WeakPolarHBondContact OH-CE2 3.34Å; Y38-C201 HydrophobicContact CD1-CB 4.04Å; Y38-C201 HydrophobicContact CE1-CB 3.9Å; Y38-C201 VanDerWaalsContact CE1-SG 3.55Å; Y38-H204 AromaticContact CE2-ND1 3.38Å; Y38-H204 WeakPolarHBondContact CE2-ND1 3.35Å; Y38-H204 AromaticContact CZ-CG 3.94Å; Y38-H204 AromaticContact CZ-ND1 3.49Å; Y38-H204 WeakPolarHBondContact OH-CB 3.29Å; Y38-H204 PolarHBondContact OH-ND1 3.4Å; Y38-S208 VanDerWaalsContact CE2-OG 3.31Å; Y38-S208 WeakPolarHBondContact CE2-OG 3.46Å |
| 39 | E | 89.1 | Confident | 91.6 | Very high | 136 Ų | 136 | 47.6 Ų | 47.6 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64 | -37.7 | 176.7 | -65.3 | -175 | 178 | 0 | 0 | 111.4 | K35 D36 F37 | K35-E39 WeakPolarHBondContact CE-OE1 3.28Å; K35-E39 PolarHBondContact O-N 3.16Å; K35-E39 VanDerWaalsContact O-N 3.14Å; D36-E39 PolarHBondContact O-N 3.43Å; F37-E39 VanDerWaalsContact C-N 3.3Å; F37-E39 PolarHBondContact O-N 2.9Å |
| 40 | I | 91.9 | Very high | 91.3 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -93.1 | -4.5 | 178.7 | 68.7 | 169.3 | 0 | 0 | 0 | 113.8 | D36 F37 Y38 S42 E43 W44 | D36-I40 PolarHBondContact O-N 3.04Å; F37-I40 HydrophobicContact CD2-CD1 4.27Å; F37-I40 HydrophobicContact CD2-CG1 4.35Å; F37-I40 CarbonylContact O-C 3.57Å; F37-I40 WeakPolarHBondContact O-CG1 3.45Å; F37-I40 PolarHBondContact O-N 2.79Å; Y38-I40 VanDerWaalsContact C-N 3.29Å; Y38-I40 PolarHBondContact O-N 2.75Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 3.27Å; I40-S42 VanDerWaalsContact O-N 3.17Å; I40-E43 PolarHBondContact O-N 3.45Å; I40-W44 PolarHBondContact O-N 3.32Å |
| 41 | F | 91.9 | Very high | 91.1 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 10% | 0.096 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -37.7 | -169.7 | 177.2 | -106.6 | 0 | 0 | 0 | 113.2 | F37 Y38 W44 K45 A197 N198 C201 | F37-F41 HydrophobicContact CD1-CD2 4.47Å; F37-F41 AromaticContact CE1-CD2 3.66Å; F37-F41 HydrophobicContact CE1-CD2 3.66Å; F37-F41 HydrophobicContact CE1-CE2 4.39Å; F37-F41 HydrophobicContact CZ-CD2 4.14Å; F37-F41 WeakPolarHBondContact O-CA 3.48Å; F37-F41 WeakPolarHBondContact O-CB 3.35Å; F37-F41 PolarHBondContact O-N 3.21Å; Y38-F41 PolarHBondContact O-N 3.4Å; F41-W44 HydrophobicContact CD2-CE3 4.09Å; F41-W44 AromaticContact CE2-CE3 3.79Å; F41-W44 HydrophobicContact CE2-CE3 3.79Å; F41-W44 AromaticContact CE2-CZ3 3.95Å; F41-W44 HydrophobicContact CE2-CZ3 3.95Å; F41-W44 PolarHBondContact O-N 3.2Å; F41-K45 HydrophobicContact CE1-CD 4.17Å; F41-K45 HydrophobicContact CZ-CB 4.37Å; F41-K45 HydrophobicContact CZ-CD 4.26Å; F41-K45 WeakPolarHBondContact O-CB 3.31Å; F41-K45 PolarHBondContact O-N 3.31Å; F41-A197 HydrophobicContact CE2-CB 4.01Å; F41-N198 HydrophobicContact CE1-CB 4.27Å; F41-N198 HydrophobicContact CZ-CB 3.82Å; F41-C201 HydrophobicContact CD1-CB 4.05Å; F41-C201 HydrophobicContact CD2-CB 4.4Å; F41-C201 WeakPolarHBondContact CD2-SG 3.36Å; F41-C201 HydrophobicContact CE1-CB 4.09Å; F41-C201 HydrophobicContact CE2-CB 4.43Å; F41-C201 VanDerWaalsContact CE2-SG 3.58Å; F41-C201 HydrophobicContact CG-CB 4.23Å; F41-C201 HydrophobicContact CZ-CB 4.3Å |
| 42 | S | 90.3 | Very high | 90.9 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 177.9 | -168.9 | 0 | 0 | 0 | 0 | 111.8 | I40 K45 D46 | I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 3.27Å; I40-S42 VanDerWaalsContact O-N 3.17Å; S42-K45 PolarHBondContact O-N 3.44Å; S42-D46 VanDerWaalsContact O-CG 3.25Å; S42-D46 PolarHBondContact O-N 3.23Å |
| 43 | E | 94.6 | Very high | 90.5 | Very high | 138 Ų | 138 | 56 Ų | 56 | 65% | 0.645 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.1 | -45.7 | 177.5 | -179.3 | 173.3 | -172.9 | 0 | 0 | 110.6 | I40 K45 D46 C47 | I40-E43 PolarHBondContact O-N 3.45Å; E43-K45 VanDerWaalsContact C-N 3.28Å; E43-K45 PolarHBondContact O-N 2.79Å; E43-D46 PolarHBondContact O-N 2.7Å; E43-C47 PolarHBondContact O-N 3.17Å; E43-C47 PolarHBondContact O-SG 3.01Å; E43-C47 VanDerWaalsContact O-SG 3.37Å |
| 44 | W | 96.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 2% | 0.023 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53.7 | -47.3 | 174.6 | 179.7 | 93 | 0 | 0 | 0 | 111.2 | F37 I40 F41 C47 R48 G112 L113 L116 A197 | F37-W44 HydrophobicContact CE2-CG 4.22Å; F37-W44 HydrophobicContact CZ-CD2 4.04Å; F37-W44 HydrophobicContact CZ-CE3 4.43Å; F37-W44 HydrophobicContact CZ-CG 4.15Å; I40-W44 PolarHBondContact O-N 3.32Å; F41-W44 HydrophobicContact CD2-CE3 4.09Å; F41-W44 AromaticContact CE2-CE3 3.79Å; F41-W44 HydrophobicContact CE2-CE3 3.79Å; F41-W44 AromaticContact CE2-CZ3 3.95Å; F41-W44 HydrophobicContact CE2-CZ3 3.95Å; F41-W44 PolarHBondContact O-N 3.2Å; W44-C47 PolarHBondContact O-N 3.37Å; W44-R48 HydrophobicContact CD2-CG 4.14Å; W44-R48 HydrophobicContact CE3-CG 4.32Å; W44-R48 HydrophobicContact CH2-CG 4.01Å; W44-R48 HydrophobicContact CZ2-CG 3.82Å; W44-R48 HydrophobicContact CZ3-CG 4.26Å; W44-R48 WeakPolarHBondContact O-CG 3.36Å; W44-R48 PolarHBondContact O-N 3.37Å; W44-R48 VanDerWaalsContact O-N 3.13Å; W44-G112 PolarHBondContact NE1-O 3.49Å; W44-L113 HydrophobicContact CZ2-CD2 4.43Å; W44-L116 HydrophobicContact CH2-CD2 3.99Å; W44-L116 HydrophobicContact CZ2-CB 3.9Å; W44-L116 HydrophobicContact CZ2-CD1 4.39Å; W44-L116 HydrophobicContact CZ2-CD2 3.77Å; W44-L116 HydrophobicContact CZ2-CG 4.23Å; W44-A197 HydrophobicContact CH2-CB 3.96Å; W44-A197 HydrophobicContact CZ3-CB 3.86Å |
| 45 | K | 91.6 | Very high | 89.9 | Confident | 51 Ų | 51 | 58.1 Ų | 58.1 | 22% | 0.222 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 179 | 177.5 | 175.9 | 179.5 | -178 | 0 | 111.9 | F41 S42 E43 C47 R48 E49 I194 N198 | F41-K45 HydrophobicContact CE1-CD 4.17Å; F41-K45 HydrophobicContact CZ-CB 4.37Å; F41-K45 HydrophobicContact CZ-CD 4.26Å; F41-K45 WeakPolarHBondContact O-CB 3.31Å; F41-K45 PolarHBondContact O-N 3.31Å; S42-K45 PolarHBondContact O-N 3.44Å; E43-K45 VanDerWaalsContact C-N 3.28Å; E43-K45 PolarHBondContact O-N 2.79Å; K45-C47 VanDerWaalsContact C-N 3.28Å; K45-C47 PolarHBondContact O-N 2.86Å; K45-R48 PolarHBondContact O-N 2.87Å; K45-R48 VanDerWaalsContact O-N 3.17Å; K45-E49 WeakPolarHBondContact CE-OE1 3.45Å; K45-E49 HydrophobicContact CG-CG 4.42Å; K45-E49 WeakPolarHBondContact O-CG 3.47Å; K45-E49 PolarHBondContact O-N 2.98Å; K45-I194 HydrophobicContact CG-CG2 3.99Å; K45-N198 PolarHBondContact NZ-OD1 3.21Å |
| 46 | D | 89.8 | Confident | 89.6 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 48% | 0.476 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60 | -39.4 | -180 | -72 | -13.5 | 0 | 0 | 0 | 111.4 | S42 E43 M50 | S42-D46 VanDerWaalsContact O-CG 3.25Å; S42-D46 PolarHBondContact O-N 3.23Å; E43-D46 PolarHBondContact O-N 2.7Å; D46-M50 WeakPolarHBondContact O-CB 3.28Å; D46-M50 PolarHBondContact O-N 2.86Å |
| 47 | C | 93.4 | Very high | 89 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 31% | 0.311 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 173.9 | -73.8 | 0 | 0 | 0 | 0 | 112.2 | E43 W44 K45 M50 E51 | E43-C47 PolarHBondContact O-N 3.17Å; E43-C47 PolarHBondContact O-SG 3.01Å; E43-C47 VanDerWaalsContact O-SG 3.37Å; W44-C47 PolarHBondContact O-N 3.37Å; K45-C47 VanDerWaalsContact C-N 3.28Å; K45-C47 PolarHBondContact O-N 2.86Å; C47-M50 WeakPolarHBondContact O-CB 3.49Å; C47-M50 PolarHBondContact O-N 2.83Å; C47-E51 WeakPolarHBondContact O-CG 3.37Å; C47-E51 PolarHBondContact O-N 3.19Å |
| 48 | R | 96.2 | Very high | 88.5 | Confident | 17 Ų | 17 | 57.5 Ų | 57.5 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 180 | -60.1 | -57.9 | 85.6 | 79.3 | -14 | 112.4 | W44 K45 M50 E51 Y52 D108 L190 I194 | W44-R48 HydrophobicContact CD2-CG 4.14Å; W44-R48 HydrophobicContact CE3-CG 4.32Å; W44-R48 HydrophobicContact CH2-CG 4.01Å; W44-R48 HydrophobicContact CZ2-CG 3.82Å; W44-R48 HydrophobicContact CZ3-CG 4.26Å; W44-R48 WeakPolarHBondContact O-CG 3.36Å; W44-R48 PolarHBondContact O-N 3.37Å; W44-R48 VanDerWaalsContact O-N 3.13Å; K45-R48 PolarHBondContact O-N 2.87Å; K45-R48 VanDerWaalsContact O-N 3.17Å; R48-M50 VanDerWaalsContact C-N 3.31Å; R48-M50 PolarHBondContact O-N 2.95Å; R48-E51 WeakPolarHBondContact CD-OE2 3.14Å; R48-E51 IonicContact CZ-OE1 3.33Å; R48-E51 VanDerWaalsContact CZ-OE1 3.26Å; R48-E51 IonicContact CZ-OE2 2.73Å; R48-E51 IonicContact NE-OE1 2.81Å; R48-E51 PolarHBondContact NE-OE1 3.3Å; R48-E51 IonicContact NE-OE2 2.92Å; R48-E51 PolarHBondContact NE-OE2 3.49Å; R48-E51 IonicContact NH2-OE1 2.77Å; R48-E51 PolarHBondContact NH2-OE1 3.38Å; R48-E51 IonicContact NH2-OE2 3.84Å; R48-E51 PolarHBondContact O-N 3.18Å; R48-Y52 PolarHBondContact O-N 2.81Å; R48-D108 PolarHBondContact NH2-O 3.2Å; R48-L190 HydrophobicContact CB-CD1 4.23Å; R48-L190 HydrophobicContact CG-CD1 4.42Å; R48-I194 HydrophobicContact CB-CD1 3.56Å; R48-I194 HydrophobicContact CB-CG1 3.61Å; R48-I194 HydrophobicContact CG-CG1 4.43Å |
| 49 | E | 85.1 | Confident | 88.2 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 173.4 | -73 | -174.3 | -179.7 | 0 | 0 | 111.4 | K45 Y52 V53 I194 | K45-E49 WeakPolarHBondContact CE-OE1 3.45Å; K45-E49 HydrophobicContact CG-CG 4.42Å; K45-E49 WeakPolarHBondContact O-CG 3.47Å; K45-E49 PolarHBondContact O-N 2.98Å; E49-Y52 WeakPolarHBondContact O-CB 3.4Å; E49-Y52 PolarHBondContact O-N 2.9Å; E49-V53 WeakPolarHBondContact O-CG2 3.4Å; E49-V53 PolarHBondContact O-N 3.49Å; E49-I194 HydrophobicContact CG-CD1 4.01Å; E49-I194 HydrophobicContact CG-CG2 4.34Å |
| 50 | M | 86.3 | Confident | 87.6 | Confident | 105 Ų | 105 | 55.9 Ų | 55.9 | 52% | 0.517 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 173.8 | -167.6 | -171.3 | -47.6 | 0 | 0 | 112.1 | D46 C47 R48 V53 K54 | D46-M50 WeakPolarHBondContact O-CB 3.28Å; D46-M50 PolarHBondContact O-N 2.86Å; C47-M50 WeakPolarHBondContact O-CB 3.49Å; C47-M50 PolarHBondContact O-N 2.83Å; R48-M50 VanDerWaalsContact C-N 3.31Å; R48-M50 PolarHBondContact O-N 2.95Å; M50-V53 PolarHBondContact O-N 2.8Å; M50-K54 WeakPolarHBondContact O-CG 3.46Å; M50-K54 PolarHBondContact O-N 3.45Å |
| 51 | E | 90.7 | Very high | 86.9 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 174.8 | -71.5 | 162.5 | -166.2 | 0 | 0 | 112 | C47 R48 V53 K54 M55 V105 D108 T109 L190 | C47-E51 WeakPolarHBondContact O-CG 3.37Å; C47-E51 PolarHBondContact O-N 3.19Å; R48-E51 WeakPolarHBondContact CD-OE2 3.14Å; R48-E51 IonicContact CZ-OE1 3.33Å; R48-E51 VanDerWaalsContact CZ-OE1 3.26Å; R48-E51 IonicContact CZ-OE2 2.73Å; R48-E51 IonicContact NE-OE1 2.81Å; R48-E51 PolarHBondContact NE-OE1 3.3Å; R48-E51 IonicContact NE-OE2 2.92Å; R48-E51 PolarHBondContact NE-OE2 3.49Å; R48-E51 IonicContact NH2-OE1 2.77Å; R48-E51 PolarHBondContact NH2-OE1 3.38Å; R48-E51 IonicContact NH2-OE2 3.84Å; R48-E51 PolarHBondContact O-N 3.18Å; E51-V53 VanDerWaalsContact C-N 3.31Å; E51-V53 PolarHBondContact O-N 3.48Å; E51-K54 WeakPolarHBondContact O-CB 3.45Å; E51-K54 PolarHBondContact O-N 3.13Å; E51-K54 VanDerWaalsContact O-N 3.13Å; E51-M55 WeakPolarHBondContact O-CG 3.43Å; E51-M55 PolarHBondContact O-N 3.28Å; E51-V105 HydrophobicContact CB-CG1 3.96Å; E51-V105 HydrophobicContact CG-CG1 4.16Å; E51-D108 WeakPolarHBondContact OE1-CB 3.49Å; E51-T109 WeakPolarHBondContact OE2-CA 3.23Å; E51-T109 WeakPolarHBondContact OE2-CB 3.48Å; E51-T109 PolarHBondContact OE2-OG1 3.04Å; E51-L190 HydrophobicContact CB-CD2 3.93Å |
| 52 | Y | 88.8 | Confident | 86.2 | Confident | 51 Ų | 51 | 55 Ų | 55 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.6 | -48.4 | 171.3 | 169.2 | -92.2 | 0 | 0 | 0 | 111.4 | R48 E49 K54 M55 M56 A187 Q191 | R48-Y52 PolarHBondContact O-N 2.81Å; E49-Y52 WeakPolarHBondContact O-CB 3.4Å; E49-Y52 PolarHBondContact O-N 2.9Å; Y52-K54 VanDerWaalsContact C-N 3.35Å; Y52-K54 PolarHBondContact O-N 3.01Å; Y52-M55 PolarHBondContact O-N 3.38Å; Y52-M56 HydrophobicContact CD1-CG 4.42Å; Y52-M56 HydrophobicContact CE1-CG 3.95Å; Y52-M56 HydrophobicContact CE2-CG 4.07Å; Y52-M56 WeakPolarHBondContact O-CG 3.19Å; Y52-M56 PolarHBondContact O-N 3.22Å; Y52-A187 HydrophobicContact CD2-CB 3.73Å; Y52-A187 VanDerWaalsContact CD2-O 3.23Å; Y52-A187 WeakPolarHBondContact CD2-O 3.49Å; Y52-A187 HydrophobicContact CE2-CB 3.84Å; Y52-Q191 HydrophobicContact CD2-CB 4.24Å; Y52-Q191 HydrophobicContact CE2-CB 4.24Å |
| 53 | V | 81.3 | Confident | 85.3 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 56% | 0.558 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | E49 M50 E51 M56 S57 | E49-V53 WeakPolarHBondContact O-CG2 3.4Å; E49-V53 PolarHBondContact O-N 3.49Å; M50-V53 PolarHBondContact O-N 2.8Å; E51-V53 VanDerWaalsContact C-N 3.31Å; E51-V53 PolarHBondContact O-N 3.48Å; V53-M56 PolarHBondContact O-N 3.41Å; V53-S57 WeakPolarHBondContact O-CB 3.12Å; V53-S57 PolarHBondContact O-N 3.37Å |
| 54 | K | 86.4 | Confident | 84.3 | Confident | 79 Ų | 79 | 53 Ų | 53 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 175.2 | -68.6 | 175.2 | -170.5 | 170.7 | 0 | 111.1 | M50 E51 Y52 M56 S57 I58 V105 | M50-K54 WeakPolarHBondContact O-CG 3.46Å; M50-K54 PolarHBondContact O-N 3.45Å; E51-K54 WeakPolarHBondContact O-CB 3.45Å; E51-K54 PolarHBondContact O-N 3.13Å; E51-K54 VanDerWaalsContact O-N 3.13Å; Y52-K54 VanDerWaalsContact C-N 3.35Å; Y52-K54 PolarHBondContact O-N 3.01Å; K54-M56 PolarHBondContact O-N 3.42Å; K54-S57 WeakPolarHBondContact O-CB 3.24Å; K54-S57 PolarHBondContact O-N 2.86Å; K54-I58 VanDerWaalsContact O-CG1 3.3Å; K54-I58 WeakPolarHBondContact O-CG1 3.18Å; K54-I58 PolarHBondContact O-N 3.01Å; K54-V105 HydrophobicContact CB-CG1 4.21Å; K54-V105 HydrophobicContact CB-CG2 3.85Å; K54-V105 HydrophobicContact CD-CG2 3.76Å; K54-V105 HydrophobicContact CG-CG2 4.44Å |
| 55 | M | 84.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.6 | -67.6 | -175.9 | -164.4 | 0 | 0 | 111.8 | E51 Y52 S57 I58 K59 L102 V105 L106 T109 V183 L186 A187 L190 | E51-M55 WeakPolarHBondContact O-CG 3.43Å; E51-M55 PolarHBondContact O-N 3.28Å; Y52-M55 PolarHBondContact O-N 3.38Å; M55-S57 VanDerWaalsContact C-N 3.34Å; M55-S57 PolarHBondContact O-N 2.75Å; M55-I58 WeakPolarHBondContact O-CB 3.31Å; M55-I58 PolarHBondContact O-N 2.97Å; M55-K59 PolarHBondContact O-N 3.31Å; M55-L102 HydrophobicContact CG-CD1 4.08Å; M55-V105 HydrophobicContact CE-CG1 3.81Å; M55-V105 HydrophobicContact CG-CG1 3.88Å; M55-L106 HydrophobicContact CE-CD2 3.38Å; M55-L106 HydrophobicContact CE-CG 4.28Å; M55-L106 HydrophobicContact SD-CD2 4.26Å; M55-T109 HydrophobicContact CE-CG2 4.46Å; M55-T109 WeakPolarHBondContact CE-OG1 3.48Å; M55-V183 HydrophobicContact CB-CG2 3.94Å; M55-V183 VanDerWaalsContact O-CG2 3.27Å; M55-V183 WeakPolarHBondContact O-CG2 3.49Å; M55-L186 HydrophobicContact SD-CB 4.14Å; M55-A187 HydrophobicContact CB-CB 3.9Å; M55-A187 HydrophobicContact SD-CB 4.23Å; M55-L190 HydrophobicContact CE-CD2 4Å |
| 56 | M | 83.1 | Confident | 81.9 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 176.8 | -70.3 | -57.1 | -66 | 0 | 0 | 112.6 | Y52 V53 K54 K59 E60 A187 | Y52-M56 HydrophobicContact CD1-CG 4.42Å; Y52-M56 HydrophobicContact CE1-CG 3.95Å; Y52-M56 HydrophobicContact CE2-CG 4.07Å; Y52-M56 WeakPolarHBondContact O-CG 3.19Å; Y52-M56 PolarHBondContact O-N 3.22Å; V53-M56 PolarHBondContact O-N 3.41Å; K54-M56 PolarHBondContact O-N 3.42Å; M56-K59 HydrophobicContact CE-CD 4.14Å; M56-K59 WeakPolarHBondContact O-CB 3.47Å; M56-K59 PolarHBondContact O-N 3.22Å; M56-K59 HydrophobicContact SD-CD 4.38Å; M56-E60 PolarHBondContact O-N 2.78Å; M56-A187 HydrophobicContact CG-CB 4.21Å; M56-A187 HydrophobicContact SD-CB 3.92Å |
| 57 | S | 77.4 | Confident | 80.6 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 172.2 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | V53 K54 M55 K59 E60 M61 | V53-S57 WeakPolarHBondContact O-CB 3.12Å; V53-S57 PolarHBondContact O-N 3.37Å; K54-S57 WeakPolarHBondContact O-CB 3.24Å; K54-S57 PolarHBondContact O-N 2.86Å; M55-S57 VanDerWaalsContact C-N 3.34Å; M55-S57 PolarHBondContact O-N 2.75Å; S57-K59 VanDerWaalsContact C-N 3.31Å; S57-K59 PolarHBondContact O-N 3.45Å; S57-E60 PolarHBondContact O-N 2.87Å; S57-M61 WeakPolarHBondContact O-CG 3.44Å; S57-M61 PolarHBondContact O-N 3.45Å |
| 58 | I | 81.6 | Confident | 78.8 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 174 | -69.2 | 164.3 | 0 | 0 | 0 | 110.5 | K54 M55 M61 A62 L98 T101 L102 V105 L180 V183 | K54-I58 VanDerWaalsContact O-CG1 3.3Å; K54-I58 WeakPolarHBondContact O-CG1 3.18Å; K54-I58 PolarHBondContact O-N 3.01Å; M55-I58 WeakPolarHBondContact O-CB 3.31Å; M55-I58 PolarHBondContact O-N 2.97Å; I58-M61 HydrophobicContact CG1-CE 4.34Å; I58-M61 PolarHBondContact O-N 3.47Å; I58-A62 WeakPolarHBondContact O-CB 3.35Å; I58-A62 PolarHBondContact O-N 3.3Å; I58-L98 HydrophobicContact CG2-CB 4.39Å; I58-L98 HydrophobicContact CG2-CD2 4.5Å; I58-T101 HydrophobicContact CD1-CG2 4.05Å; I58-T101 HydrophobicContact CG1-CG2 4.44Å; I58-L102 HydrophobicContact CD1-CB 4.05Å; I58-L102 HydrophobicContact CD1-CD1 4.2Å; I58-L102 HydrophobicContact CG2-CB 4.4Å; I58-V105 HydrophobicContact CD1-CG2 4.25Å; I58-L180 HydrophobicContact CG2-CD2 3.53Å; I58-V183 HydrophobicContact CG2-CG2 4.34Å |
| 59 | K | 82.3 | Confident | 76.7 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55 | -54.1 | 173.5 | -170.7 | -162.4 | 179.6 | -173.5 | 0 | 111.2 | M55 M56 S57 M61 A62 D63 V183 E184 | M55-K59 PolarHBondContact O-N 3.31Å; M56-K59 HydrophobicContact CE-CD 4.14Å; M56-K59 WeakPolarHBondContact O-CB 3.47Å; M56-K59 PolarHBondContact O-N 3.22Å; M56-K59 HydrophobicContact SD-CD 4.38Å; S57-K59 VanDerWaalsContact C-N 3.31Å; S57-K59 PolarHBondContact O-N 3.45Å; K59-M61 VanDerWaalsContact C-N 3.27Å; K59-M61 PolarHBondContact O-N 3.25Å; K59-A62 PolarHBondContact O-N 3.49Å; K59-A62 VanDerWaalsContact O-N 3.14Å; K59-D63 WeakPolarHBondContact O-CB 3.47Å; K59-D63 VanDerWaalsContact O-CG 3.23Å; K59-D63 PolarHBondContact O-N 3.18Å; K59-V183 HydrophobicContact CB-CG1 3.65Å; K59-V183 HydrophobicContact CG-CG1 3.82Å; K59-E184 HydrophobicContact CD-CB 4.01Å; K59-E184 WeakPolarHBondContact CE-OE2 3.39Å; K59-E184 IonicContact NZ-OE1 2.65Å; K59-E184 PolarHBondContact NZ-OE1 2.81Å; K59-E184 IonicContact NZ-OE2 2.67Å; K59-E184 PolarHBondContact NZ-OE2 3.13Å |
| 60 | E | 75.9 | Confident | 75.1 | Confident | 103 Ų | 103 | 51 Ų | 51 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | -178.3 | -164.7 | -166.2 | 159.9 | 0 | 0 | 112.1 | M56 S57 K64 | M56-E60 PolarHBondContact O-N 2.78Å; S57-E60 PolarHBondContact O-N 2.87Å; E60-K64 VanDerWaalsContact O-CG 3.3Å; E60-K64 WeakPolarHBondContact O-CG 3.43Å; E60-K64 PolarHBondContact O-N 3.17Å; E60-K64 VanDerWaalsContact O-N 3.1Å; E60-K64 VanDerWaalsContact OE1-CE 3.25Å; E60-K64 WeakPolarHBondContact OE1-CE 3.32Å; E60-K64 IonicContact OE1-NZ 2.77Å; E60-K64 PolarHBondContact OE1-NZ 2.98Å |
| 61 | M | 77.3 | Confident | 73.6 | Confident | 74 Ų | 74 | 48.8 Ų | 48.8 | 37% | 0.365 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.8 | -42.7 | 174.8 | -71.4 | -171.3 | -76.2 | 0 | 0 | 112.3 | S57 I58 K59 D63 K64 I65 L98 | S57-M61 WeakPolarHBondContact O-CG 3.44Å; S57-M61 PolarHBondContact O-N 3.45Å; I58-M61 HydrophobicContact CG1-CE 4.34Å; I58-M61 PolarHBondContact O-N 3.47Å; K59-M61 VanDerWaalsContact C-N 3.27Å; K59-M61 PolarHBondContact O-N 3.25Å; M61-D63 VanDerWaalsContact C-N 3.34Å; M61-K64 PolarHBondContact O-N 3.17Å; M61-I65 WeakPolarHBondContact O-CD1 3.05Å; M61-I65 VanDerWaalsContact O-CG1 3.3Å; M61-I65 WeakPolarHBondContact O-CG1 3.38Å; M61-I65 PolarHBondContact O-N 3.41Å; M61-L98 HydrophobicContact CB-CD1 3.84Å; M61-L98 HydrophobicContact CB-CD2 4.05Å; M61-L98 HydrophobicContact CE-CD2 3.68Å; M61-L98 HydrophobicContact SD-CD2 4.11Å |
| 62 | A | 77.5 | Confident | 71 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | I58 K59 K64 I65 D66 F69 L95 L98 | I58-A62 WeakPolarHBondContact O-CB 3.35Å; I58-A62 PolarHBondContact O-N 3.3Å; K59-A62 PolarHBondContact O-N 3.49Å; K59-A62 VanDerWaalsContact O-N 3.14Å; A62-K64 VanDerWaalsContact C-N 3.32Å; A62-K64 PolarHBondContact O-N 3.47Å; A62-I65 PolarHBondContact O-N 3.08Å; A62-D66 PolarHBondContact O-N 2.96Å; A62-F69 HydrophobicContact CB-CD2 4.17Å; A62-F69 HydrophobicContact CB-CG 4.26Å; A62-L95 HydrophobicContact CB-CD2 4.33Å; A62-L98 HydrophobicContact CB-CD1 4.2Å |
| 63 | D | 70.9 | Confident | 68.3 | Low | 33 Ų | 33 | 59 Ų | 59 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.9 | -40.9 | 175.2 | -75 | -1.4 | 0 | 0 | 0 | 112.3 | K59 M61 D66 P67 F69 A70 | K59-D63 WeakPolarHBondContact O-CB 3.47Å; K59-D63 VanDerWaalsContact O-CG 3.23Å; K59-D63 PolarHBondContact O-N 3.18Å; M61-D63 VanDerWaalsContact C-N 3.34Å; D63-D66 CarbonylContact O-C 3.38Å; D63-P67 VanDerWaalsContact O-CA 3.31Å; D63-P67 WeakPolarHBondContact O-CA 3.48Å; D63-F69 WeakPolarHBondContact OD1-CB 3.19Å; D63-A70 HydrophobicContact CB-CB 3.71Å; D63-A70 VanDerWaalsContact CG-CA 3.48Å; D63-A70 WeakPolarHBondContact OD1-CA 3.16Å; D63-A70 PolarHBondContact OD1-N 2.96Å |
| 64 | K | 73.2 | Confident | 66 | Low | 143 Ų | 143 | 58 Ų | 58 | 62% | 0.622 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.2 | -37.9 | 176.1 | -74.8 | 169.2 | -174 | 164.8 | 0 | 113 | E60 M61 A62 | E60-K64 VanDerWaalsContact O-CG 3.3Å; E60-K64 WeakPolarHBondContact O-CG 3.43Å; E60-K64 PolarHBondContact O-N 3.17Å; E60-K64 VanDerWaalsContact O-N 3.1Å; E60-K64 VanDerWaalsContact OE1-CE 3.25Å; E60-K64 WeakPolarHBondContact OE1-CE 3.32Å; E60-K64 IonicContact OE1-NZ 2.77Å; E60-K64 PolarHBondContact OE1-NZ 2.98Å; M61-K64 PolarHBondContact O-N 3.17Å; A62-K64 VanDerWaalsContact C-N 3.32Å; A62-K64 PolarHBondContact O-N 3.47Å |
| 65 | I | 72.2 | Confident | 63.2 | Low | 53 Ų | 53 | 63.8 Ų | 63.8 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -74 | -41.4 | -179.4 | -69 | 162.2 | 0 | 0 | 0 | 110.6 | M61 A62 A91 K94 L95 L98 | M61-I65 WeakPolarHBondContact O-CD1 3.05Å; M61-I65 VanDerWaalsContact O-CG1 3.3Å; M61-I65 WeakPolarHBondContact O-CG1 3.38Å; M61-I65 PolarHBondContact O-N 3.41Å; A62-I65 PolarHBondContact O-N 3.08Å; I65-A91 HydrophobicContact CG2-CB 4.04Å; I65-K94 HydrophobicContact CD1-CB 3.92Å; I65-K94 HydrophobicContact CD1-CD 4.45Å; I65-L95 HydrophobicContact CB-CD2 4.15Å; I65-L95 HydrophobicContact CD1-CD2 4.47Å; I65-L95 HydrophobicContact CG2-CD1 4.39Å; I65-L95 HydrophobicContact CG2-CD2 3.88Å; I65-L95 HydrophobicContact CG2-CG 3.84Å; I65-L98 HydrophobicContact CD1-CD1 3.57Å; I65-L98 HydrophobicContact CD1-CG 4.45Å |
| 66 | D | 66.2 | Low | 60.6 | Low | 21 Ų | 21 | 72.1 Ų | 72.1 | 11% | 0.112 | 38% | 0.377 | C | S | . | . | trans | -141 | 97 | -178.6 | -175.9 | -4.9 | 0 | 0 | 0 | 109.4 | A62 D63 T68 F69 L95 K475 | A62-D66 PolarHBondContact O-N 2.96Å; D63-D66 CarbonylContact O-C 3.38Å; D66-T68 PolarHBondContact O-N 3.29Å; D66-T68 WeakPolarHBondContact OD1-CB 3.34Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.33Å; D66-T68 PolarHBondContact OD1-N 3.37Å; D66-T68 VanDerWaalsContact OD1-N 3.16Å; D66-T68 PolarHBondContact OD1-OG1 3.43Å; D66-T68 PolarHBondContact OD2-OG1 3.11Å; D66-F69 HydrophobicContact CB-CD2 3.72Å; D66-F69 HydrophobicContact CB-CE2 3.83Å; D66-F69 VanDerWaalsContact O-CD2 3.28Å; D66-F69 WeakPolarHBondContact O-CD2 3.34Å; D66-F69 PolarHBondContact O-N 2.88Å; D66-L95 HydrophobicContact CB-CD1 4.23Å; D66-K475 IonicContact OD1-NZ 3.91Å; D66-K475 PolarHBondContact OD1-NZ 3.45Å; D66-K475 WeakPolarHBondContact OD2-CE 3.2Å; D66-K475 IonicContact OD2-NZ 2.77Å; D66-K475 PolarHBondContact OD2-NZ 3.06Å | ||
| 67 | P | 62.7 | Low | 58 | Low | 68 Ų | 68 | 74 Ų | 74 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -5.3 | -179.5 | -26.2 | 34.8 | 0 | 0 | 0 | 114.9 | D63 F69 A70 | D63-P67 VanDerWaalsContact O-CA 3.31Å; D63-P67 WeakPolarHBondContact O-CA 3.48Å; P67-F69 PolarHBondContact O-N 2.78Å; P67-A70 HydrophobicContact CB-CB 4.49Å; P67-A70 WeakPolarHBondContact O-CB 3.43Å; P67-A70 PolarHBondContact O-N 2.8Å; P67-A70 VanDerWaalsContact O-N 3.12Å |
| 68 | T | 55.1 | Low | 56 | Low | 30 Ų | 30 | 76.7 Ų | 76.7 | 18% | 0.184 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15.1 | 168.6 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | D66 L468 K475 | D66-T68 PolarHBondContact O-N 3.29Å; D66-T68 WeakPolarHBondContact OD1-CB 3.34Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.33Å; D66-T68 PolarHBondContact OD1-N 3.37Å; D66-T68 VanDerWaalsContact OD1-N 3.16Å; D66-T68 PolarHBondContact OD1-OG1 3.43Å; D66-T68 PolarHBondContact OD2-OG1 3.11Å; T68-L468 HydrophobicContact CG2-CD1 4.39Å; T68-K475 HydrophobicContact CG2-CD 4.12Å |
| 69 | F | 52.8 | Low | 53.5 | Low | 28 Ų | 28 | 85.1 Ų | 85.1 | 12% | 0.123 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -81 | -33 | 164.9 | -63.9 | -79.3 | 0 | 0 | 0 | 111.9 | A62 D63 D66 P67 R71 L95 L180 H181 | A62-F69 HydrophobicContact CB-CD2 4.17Å; A62-F69 HydrophobicContact CB-CG 4.26Å; D63-F69 WeakPolarHBondContact OD1-CB 3.19Å; D66-F69 HydrophobicContact CB-CD2 3.72Å; D66-F69 HydrophobicContact CB-CE2 3.83Å; D66-F69 VanDerWaalsContact O-CD2 3.28Å; D66-F69 WeakPolarHBondContact O-CD2 3.34Å; D66-F69 PolarHBondContact O-N 2.88Å; P67-F69 PolarHBondContact O-N 2.78Å; F69-R71 PolarHBondContact O-N 3.26Å; F69-L95 HydrophobicContact CD2-CD2 4.44Å; F69-L95 HydrophobicContact CE2-CD1 4Å; F69-L95 HydrophobicContact CE2-CD2 3.78Å; F69-L95 HydrophobicContact CZ-CD2 4.45Å; F69-L180 HydrophobicContact CD1-CB 4.5Å; F69-L180 HydrophobicContact CE1-CB 3.76Å; F69-L180 HydrophobicContact CZ-CB 4.12Å; F69-H181 AromaticContact CD1-ND1 3.62Å; F69-H181 AromaticContact CE1-CE1 3.27Å; F69-H181 WeakPolarHBondContact CE1-CE1 3.26Å; F69-H181 AromaticContact CE1-CG 3.83Å; F69-H181 AromaticContact CE1-ND1 3.16Å; F69-H181 WeakPolarHBondContact CE1-ND1 3.2Å; F69-H181 AromaticContact CE1-NE2 4Å; F69-H181 AromaticContact CZ-CE1 3.69Å |
| 70 | A | 51.4 | Low | 51 | Low | 38 Ų | 38 | 88.4 Ų | 88.4 | 31% | 0.314 | 48% | 0.475 | S | S | . | . | trans | -73.6 | 95 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D63 P67 | D63-A70 HydrophobicContact CB-CB 3.71Å; D63-A70 VanDerWaalsContact CG-CA 3.48Å; D63-A70 WeakPolarHBondContact OD1-CA 3.16Å; D63-A70 PolarHBondContact OD1-N 2.96Å; P67-A70 HydrophobicContact CB-CB 4.49Å; P67-A70 WeakPolarHBondContact O-CB 3.43Å; P67-A70 PolarHBondContact O-N 2.8Å; P67-A70 VanDerWaalsContact O-N 3.12Å | ||
| 71 | R | 55 | Low | 49 | Very low | 57 Ų | 57 | 93.2 Ų | 93.2 | 22% | 0.215 | 50% | 0.495 | C | S | . | . | trans | -104.4 | 85.7 | 179 | -61.9 | -169.2 | -178 | 172.5 | 3.8 | 110.8 | F69 G455 F460 F479 | F69-R71 PolarHBondContact O-N 3.26Å; R71-G455 WeakPolarHBondContact CD-O 3.31Å; R71-G455 PolarHBondContact NH1-O 2.66Å; R71-F460 HydrophobicContact CB-CZ 4.09Å; R71-F460 VanDerWaalsContact CD-CE1 3.4Å; R71-F460 HydrophobicContact CG-CE1 3.87Å; R71-F460 HydrophobicContact CG-CE2 4.37Å; R71-F460 HydrophobicContact CG-CZ 3.51Å; R71-F479 VanDerWaalsContact CZ-CE2 3.5Å; R71-F479 VanDerWaalsContact NH1-CE1 3.34Å; R71-F479 VanDerWaalsContact NH2-CE2 3.26Å | ||
| 72 | S | 35.2 | Very low | 46.9 | Very low | 112 Ų | 112 | 100 Ų | 100 | 78% | 0.783 | 52% | 0.518 | S | S | * | . | trans | -138.8 | 149.4 | 165.9 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 73 | E | 31.3 | Very low | 44.9 | Very low | 161 Ų | 161 | 104.2 Ų | 104.2 | 75% | 0.752 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -30.9 | 119.7 | -173.9 | -63 | 177.7 | 151.4 | 0 | 0 | 117.7 | ||
| 74 | G | 34.5 | Very low | 43.3 | Very low | 70 Ų | 70 | 109.2 Ų | 109.2 | 72% | 0.722 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 60.9 | 62.5 | 132.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 75 | K | 26 | Very low | 41.9 | Very low | 201 Ų | 201 | 106.7 Ų | 106.7 | 87% | 0.874 | 56% | 0.564 | S | S | * | * | trans | -174.8 | 112.1 | 140.4 | -102.6 | 153.6 | -174.3 | 178 | 0 | 110.1 | P77 | K75-P77 WeakPolarHBondContact O-CD 3.2Š| ||
| 76 | W | 30.3 | Very low | 40 | Very low | 174 Ų | 174 | 107.9 Ų | 107.9 | 66% | 0.659 | 58% | 0.577 | S | S | * | * | trans | -108.9 | 95 | 165.4 | -170.6 | -94.3 | 0 | 0 | 0 | 109.6 | ||||
| 77 | P | 29.6 | Very low | 39 | Very low | 93 Ų | 93 | 111.9 Ų | 111.9 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | trans | -89.8 | 103.9 | 162 | 11.8 | 7.1 | 0 | 0 | 0 | 108.7 | K75 F79 | K75-P77 WeakPolarHBondContact O-CD 3.2Å; P77-F79 PolarHBondContact O-N 3.03Å | ||
| 78 | S | 34.8 | Very low | 38.6 | Very low | 110 Ų | 110 | 113.3 Ų | 113.3 | 77% | 0.769 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 56.1 | 45.1 | 139.4 | -49.8 | 0 | 0 | 0 | 0 | 119.3 | ||
| 79 | F | 28.4 | Very low | 38.7 | Very low | 182 Ų | 182 | 117.7 Ų | 117.7 | 80% | 0.798 | 62% | 0.62 | S | S | * | * | trans | -115.6 | 29.6 | 175.2 | -113.4 | -85.9 | 0 | 0 | 0 | 116.3 | P77 | P77-F79 PolarHBondContact O-N 3.03Š| ||
| 80 | C | 31.5 | Very low | 39.2 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 71% | 0.709 | 64% | 0.642 | S | S | * | * | trans | -113.1 | 60.8 | 167.5 | -91.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 81 | K | 32.4 | Very low | 40.1 | Very low | 203 Ų | 203 | 122.3 Ų | 122.3 | 88% | 0.883 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -123.6 | 107.5 | 155.2 | -92.5 | -177.3 | 176.5 | 175 | 0 | 108.9 | ||
| 82 | Y | 33.3 | Very low | 40.9 | Very low | 216 Ų | 216 | 125.7 Ų | 125.7 | 85% | 0.847 | 66% | 0.657 | S | S | * | * | trans | 72 | 82.6 | 160.8 | -123 | -91.7 | 0 | 0 | 0 | 116.8 | K84 | Y82-K84 PolarHBondContact O-N 3.45Š| ||
| 83 | V | 36.2 | Very low | 43.1 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | trans | -85.7 | 108 | 156.6 | -170.8 | 0 | 0 | 0 | 0 | 107.6 | L87 Q88 | V83-L87 HydrophobicContact CG1-CB 4.06Å; V83-Q88 HydrophobicContact CB-CG 4.23Å; V83-Q88 HydrophobicContact CG1-CG 3.59Å | ||
| 84 | K | 37.7 | Very low | 45.7 | Very low | 138 Ų | 138 | 120.1 Ų | 120.1 | 60% | 0.6 | 62% | 0.623 | S | S | * | * | trans | -54.3 | 135.5 | 173.4 | -126.4 | 173.3 | -179.8 | 177.9 | 0 | 109.3 | Y82 S86 L87 Q88 | Y82-K84 PolarHBondContact O-N 3.45Å; K84-S86 PolarHBondContact O-N 3.04Å; K84-L87 HydrophobicContact CB-CD1 4.44Å; K84-L87 PolarHBondContact O-N 2.96Å; K84-Q88 PolarHBondContact O-N 3.31Å | ||
| 85 | S | 43.7 | Very low | 48.1 | Very low | 90 Ų | 90 | 118 Ų | 118 | 63% | 0.629 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -53.5 | -26.3 | -176.6 | 49.6 | 0 | 0 | 0 | 0 | 114.9 | L89 | S85-L89 PolarHBondContact O-N 3.04Å |
| 86 | S | 31.6 | Very low | 51 | Low | 77 Ų | 77 | 114.1 Ų | 114.1 | 54% | 0.538 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75 | -26.1 | 175.2 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | K84 | K84-S86 PolarHBondContact O-N 3.04Å |
| 87 | L | 45.9 | Very low | 53.9 | Low | 106 Ų | 106 | 110.2 Ų | 110.2 | 56% | 0.555 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -80.2 | -28.3 | 174.8 | -69.5 | 171.5 | 0 | 0 | 0 | 111.7 | V83 K84 A91 | V83-L87 HydrophobicContact CG1-CB 4.06Å; K84-L87 HydrophobicContact CB-CD1 4.44Å; K84-L87 PolarHBondContact O-N 2.96Å; L87-A91 PolarHBondContact O-N 3.31Å; L87-A91 VanDerWaalsContact O-N 3.12Å |
| 88 | Q | 53.2 | Low | 56.9 | Low | 98 Ų | 98 | 106.6 Ų | 106.6 | 46% | 0.458 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.4 | -45.8 | 174.6 | -74.2 | -179.5 | -24.8 | 0 | 0 | 112 | V83 K84 K90 A91 E92 | V83-Q88 HydrophobicContact CB-CG 4.23Å; V83-Q88 HydrophobicContact CG1-CG 3.59Å; K84-Q88 PolarHBondContact O-N 3.31Å; Q88-K90 VanDerWaalsContact C-N 3.28Å; Q88-K90 PolarHBondContact O-N 3.48Å; Q88-A91 PolarHBondContact O-N 3.16Å; Q88-A91 VanDerWaalsContact O-N 3.08Å; Q88-E92 PolarHBondContact O-N 3.29Å |
| 89 | L | 57.6 | Low | 59.6 | Low | 121 Ų | 121 | 105.5 Ų | 105.5 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.6 | -37.6 | 177.3 | -72.6 | 169.7 | 0 | 0 | 0 | 112.5 | S85 A91 S93 | S85-L89 PolarHBondContact O-N 3.04Å; L89-A91 VanDerWaalsContact C-N 3.34Å; L89-S93 WeakPolarHBondContact O-CB 3.49Å; L89-S93 PolarHBondContact O-N 3.36Å; L89-S93 VanDerWaalsContact O-N 3.1Å; L89-S93 PolarHBondContact O-OG 3.47Å |
| 90 | K | 63 | Low | 62.8 | Low | 133 Ų | 133 | 103.1 Ų | 103.1 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.3 | -24 | 176.5 | -168.6 | 173.6 | -177.1 | 176.3 | 0 | 113.2 | Q88 S93 K94 | Q88-K90 VanDerWaalsContact C-N 3.28Å; Q88-K90 PolarHBondContact O-N 3.48Å; K90-S93 PolarHBondContact O-OG 3.38Å; K90-K94 WeakPolarHBondContact O-CD 3.48Å; K90-K94 WeakPolarHBondContact O-CG 3.33Å |
| 91 | A | 70 | Confident | 65.9 | Low | 31 Ų | 31 | 101 Ų | 101 | 26% | 0.256 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -81.5 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I65 L87 Q88 L89 S93 K94 L95 | I65-A91 HydrophobicContact CG2-CB 4.04Å; L87-A91 PolarHBondContact O-N 3.31Å; L87-A91 VanDerWaalsContact O-N 3.12Å; Q88-A91 PolarHBondContact O-N 3.16Å; Q88-A91 VanDerWaalsContact O-N 3.08Å; L89-A91 VanDerWaalsContact C-N 3.34Å; A91-S93 PolarHBondContact O-N 3.05Å; A91-K94 PolarHBondContact O-N 3.28Å; A91-L95 WeakPolarHBondContact O-CG 3.45Å; A91-L95 PolarHBondContact O-N 3.29Å |
| 92 | E | 73.2 | Confident | 68.9 | Low | 128 Ų | 128 | 91.3 Ų | 91.3 | 60% | 0.598 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 176.4 | -72.4 | 179.5 | 171.2 | 0 | 0 | 112 | Q88 K94 L95 L96 | Q88-E92 PolarHBondContact O-N 3.29Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 3.2Å; E92-L95 PolarHBondContact O-N 3.39Å; E92-L96 PolarHBondContact O-N 2.76Å |
| 93 | S | 80.8 | Confident | 72 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 40% | 0.399 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.2 | 71.7 | 0 | 0 | 0 | 0 | 112 | L89 K90 A91 L96 D97 | L89-S93 WeakPolarHBondContact O-CB 3.49Å; L89-S93 PolarHBondContact O-N 3.36Å; L89-S93 VanDerWaalsContact O-N 3.1Å; L89-S93 PolarHBondContact O-OG 3.47Å; K90-S93 PolarHBondContact O-OG 3.38Å; A91-S93 PolarHBondContact O-N 3.05Å; S93-L96 WeakPolarHBondContact O-CB 3.48Å; S93-L96 PolarHBondContact O-N 3.09Å; S93-D97 VanDerWaalsContact O-CG 3.22Å; S93-D97 PolarHBondContact O-N 2.97Å |
| 94 | K | 85.3 | Confident | 74.9 | Confident | 98 Ų | 98 | 82.8 Ų | 82.8 | 43% | 0.426 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.6 | -35.9 | 178.1 | -74.4 | 176.4 | 174.6 | -163.4 | 0 | 113.3 | I65 K90 A91 E92 L96 D97 L98 | I65-K94 HydrophobicContact CD1-CB 3.92Å; I65-K94 HydrophobicContact CD1-CD 4.45Å; K90-K94 WeakPolarHBondContact O-CD 3.48Å; K90-K94 WeakPolarHBondContact O-CG 3.33Å; A91-K94 PolarHBondContact O-N 3.28Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 3.2Å; K94-L96 VanDerWaalsContact C-N 3.32Å; K94-D97 PolarHBondContact O-N 3.41Å; K94-L98 WeakPolarHBondContact O-CG 3.19Å; K94-L98 PolarHBondContact O-N 3.04Å |
| 95 | L | 84.9 | Confident | 77.8 | Confident | 26 Ų | 26 | 76.6 Ų | 76.6 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 174 | -70.6 | 173.4 | 0 | 0 | 0 | 110.5 | A62 I65 D66 F69 A91 E92 L98 E99 L180 | A62-L95 HydrophobicContact CB-CD2 4.33Å; I65-L95 HydrophobicContact CB-CD2 4.15Å; I65-L95 HydrophobicContact CD1-CD2 4.47Å; I65-L95 HydrophobicContact CG2-CD1 4.39Å; I65-L95 HydrophobicContact CG2-CD2 3.88Å; I65-L95 HydrophobicContact CG2-CG 3.84Å; D66-L95 HydrophobicContact CB-CD1 4.23Å; F69-L95 HydrophobicContact CD2-CD2 4.44Å; F69-L95 HydrophobicContact CE2-CD1 4Å; F69-L95 HydrophobicContact CE2-CD2 3.78Å; F69-L95 HydrophobicContact CZ-CD2 4.45Å; A91-L95 WeakPolarHBondContact O-CG 3.45Å; A91-L95 PolarHBondContact O-N 3.29Å; E92-L95 PolarHBondContact O-N 3.39Å; L95-L98 PolarHBondContact O-N 3.38Å; L95-E99 WeakPolarHBondContact O-CB 3.44Å; L95-E99 PolarHBondContact O-N 3.1Å; L95-L180 HydrophobicContact CB-CD1 4.2Å; L95-L180 HydrophobicContact CD2-CD1 4.06Å; L95-L180 WeakPolarHBondContact O-CD1 3.24Å |
| 96 | L | 88.6 | Confident | 80.3 | Confident | 120 Ų | 120 | 72.4 Ų | 72.4 | 63% | 0.628 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.8 | -40.1 | 174.2 | -170.1 | 144.6 | 0 | 0 | 0 | 111.7 | E92 S93 K94 L98 E99 K100 | E92-L96 PolarHBondContact O-N 2.76Å; S93-L96 WeakPolarHBondContact O-CB 3.48Å; S93-L96 PolarHBondContact O-N 3.09Å; K94-L96 VanDerWaalsContact C-N 3.32Å; L96-L98 VanDerWaalsContact C-N 3.35Å; L96-L98 PolarHBondContact O-N 2.96Å; L96-E99 PolarHBondContact O-N 2.95Å; L96-K100 PolarHBondContact O-N 3.37Å |
| 97 | D | 90.9 | Very high | 83.5 | Confident | 92 Ų | 92 | 75.4 Ų | 75.4 | 49% | 0.492 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 173.1 | -64.4 | -28.9 | 0 | 0 | 0 | 111.3 | S93 K94 K100 T101 | S93-D97 VanDerWaalsContact O-CG 3.22Å; S93-D97 PolarHBondContact O-N 2.97Å; K94-D97 PolarHBondContact O-N 3.41Å; D97-K100 WeakPolarHBondContact O-CB 3.16Å; D97-K100 PolarHBondContact O-N 3.41Å; D97-T101 PolarHBondContact O-N 3.14Å; D97-T101 PolarHBondContact O-OG1 3.1Å |
| 98 | L | 91.3 | Very high | 85.9 | Confident | 16 Ų | 16 | 74.4 Ų | 74.4 | 8% | 0.084 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 175.2 | -75.9 | 179.5 | 0 | 0 | 0 | 113.1 | I58 M61 A62 I65 K94 L95 L96 K100 T101 L102 L180 | I58-L98 HydrophobicContact CG2-CB 4.39Å; I58-L98 HydrophobicContact CG2-CD2 4.5Å; M61-L98 HydrophobicContact CB-CD1 3.84Å; M61-L98 HydrophobicContact CB-CD2 4.05Å; M61-L98 HydrophobicContact CE-CD2 3.68Å; M61-L98 HydrophobicContact SD-CD2 4.11Å; A62-L98 HydrophobicContact CB-CD1 4.2Å; I65-L98 HydrophobicContact CD1-CD1 3.57Å; I65-L98 HydrophobicContact CD1-CG 4.45Å; K94-L98 WeakPolarHBondContact O-CG 3.19Å; K94-L98 PolarHBondContact O-N 3.04Å; L95-L98 PolarHBondContact O-N 3.38Å; L96-L98 VanDerWaalsContact C-N 3.35Å; L96-L98 PolarHBondContact O-N 2.96Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-T101 PolarHBondContact O-N 3.07Å; L98-L102 WeakPolarHBondContact O-CB 3.27Å; L98-L102 PolarHBondContact O-N 3.06Å; L98-L180 HydrophobicContact CB-CD1 4.21Å; L98-L180 HydrophobicContact CB-CD2 4.19Å |
| 99 | E | 92.6 | Very high | 88 | Confident | 88 Ų | 88 | 69.8 Ų | 69.8 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | 176.4 | -164.6 | 169.5 | 130.7 | 0 | 0 | 111.1 | L95 L96 L102 A103 P178 L180 | L95-E99 WeakPolarHBondContact O-CB 3.44Å; L95-E99 PolarHBondContact O-N 3.1Å; L96-E99 PolarHBondContact O-N 2.95Å; E99-L102 WeakPolarHBondContact O-CB 3.48Å; E99-L102 PolarHBondContact O-N 2.81Å; E99-A103 PolarHBondContact O-N 3Å; E99-P178 HydrophobicContact CG-CB 4.43Å; E99-P178 WeakPolarHBondContact CG-O 3.09Å; E99-L180 HydrophobicContact CB-CD1 4.25Å; E99-L180 HydrophobicContact CB-CG 4.18Å; E99-L180 HydrophobicContact CG-CG 4.47Å |
| 100 | K | 95.4 | Very high | 90 | Very high | 132 Ų | 132 | 65.8 Ų | 65.8 | 57% | 0.574 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66 | -45.9 | 170.9 | -172.5 | -173.2 | 173.7 | -167.1 | 0 | 111.9 | L96 D97 L98 L102 A103 E104 | L96-K100 PolarHBondContact O-N 3.37Å; D97-K100 WeakPolarHBondContact O-CB 3.16Å; D97-K100 PolarHBondContact O-N 3.41Å; L98-K100 VanDerWaalsContact C-N 3.3Å; K100-L102 PolarHBondContact O-N 3.21Å; K100-A103 WeakPolarHBondContact O-CB 3.23Å; K100-A103 PolarHBondContact O-N 3.4Å; K100-A103 VanDerWaalsContact O-N 3.08Å; K100-E104 WeakPolarHBondContact CE-OE1 3.28Å; K100-E104 PolarHBondContact O-N 3.26Å |
| 101 | T | 95.7 | Very high | 91.6 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 36% | 0.362 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 174.2 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | I58 D97 L98 A103 E104 V105 | I58-T101 HydrophobicContact CD1-CG2 4.05Å; I58-T101 HydrophobicContact CG1-CG2 4.44Å; D97-T101 PolarHBondContact O-N 3.14Å; D97-T101 PolarHBondContact O-OG1 3.1Å; L98-T101 PolarHBondContact O-N 3.07Å; T101-A103 VanDerWaalsContact C-N 3.33Å; T101-E104 PolarHBondContact O-N 2.93Å; T101-V105 WeakPolarHBondContact O-CG2 3.49Å; T101-V105 PolarHBondContact O-N 2.86Å; T101-V105 VanDerWaalsContact O-N 3.08Å |
| 102 | L | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 173.6 | -179.5 | 59.3 | 0 | 0 | 0 | 111.3 | M55 I58 L98 E99 K100 E104 V105 L106 P178 L180 V183 | M55-L102 HydrophobicContact CG-CD1 4.08Å; I58-L102 HydrophobicContact CD1-CB 4.05Å; I58-L102 HydrophobicContact CD1-CD1 4.2Å; I58-L102 HydrophobicContact CG2-CB 4.4Å; L98-L102 WeakPolarHBondContact O-CB 3.27Å; L98-L102 PolarHBondContact O-N 3.06Å; E99-L102 WeakPolarHBondContact O-CB 3.48Å; E99-L102 PolarHBondContact O-N 2.81Å; K100-L102 PolarHBondContact O-N 3.21Å; L102-E104 PolarHBondContact O-N 2.98Å; L102-V105 PolarHBondContact O-N 2.93Å; L102-L106 HydrophobicContact CD1-CD1 3.96Å; L102-L106 HydrophobicContact CD1-CD2 4.46Å; L102-L106 HydrophobicContact CD1-CG 4.01Å; L102-L106 HydrophobicContact CD2-CD1 4.37Å; L102-L106 HydrophobicContact CG-CD1 3.71Å; L102-L106 HydrophobicContact CG-CG 4.22Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 WeakPolarHBondContact O-CG 3.3Å; L102-L106 PolarHBondContact O-N 3.46Å; L102-P178 HydrophobicContact CG-CB 4.39Å; L102-L180 HydrophobicContact CD2-CD2 4.09Å; L102-V183 HydrophobicContact CD1-CG2 3.85Å; L102-V183 HydrophobicContact CD2-CB 4.19Å; L102-V183 HydrophobicContact CD2-CG2 4.2Å |
| 103 | A | 97.8 | Very high | 94 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E99 K100 T101 L106 E107 P178 | E99-A103 PolarHBondContact O-N 3Å; K100-A103 WeakPolarHBondContact O-CB 3.23Å; K100-A103 PolarHBondContact O-N 3.4Å; K100-A103 VanDerWaalsContact O-N 3.08Å; T101-A103 VanDerWaalsContact C-N 3.33Å; A103-L106 PolarHBondContact O-N 3.26Å; A103-E107 PolarHBondContact O-N 3.2Å; A103-P178 HydrophobicContact CB-CB 3.73Å; A103-P178 HydrophobicContact CB-CG 3.95Å |
| 104 | E | 97.8 | Very high | 94.7 | Very high | 93 Ų | 93 | 55.4 Ų | 55.4 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 175.7 | -67.9 | 167.1 | -171.7 | 0 | 0 | 111.2 | K100 T101 L102 L106 E107 D108 | K100-E104 WeakPolarHBondContact CE-OE1 3.28Å; K100-E104 PolarHBondContact O-N 3.26Å; T101-E104 PolarHBondContact O-N 2.93Å; L102-E104 PolarHBondContact O-N 2.98Å; E104-L106 VanDerWaalsContact C-N 3.34Å; E104-L106 PolarHBondContact O-N 3.14Å; E104-E107 PolarHBondContact O-N 2.89Å; E104-D108 PolarHBondContact O-N 2.62Å |
| 105 | V | 97.4 | Very high | 95.1 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | E51 K54 M55 I58 T101 L102 E107 D108 T109 | E51-V105 HydrophobicContact CB-CG1 3.96Å; E51-V105 HydrophobicContact CG-CG1 4.16Å; K54-V105 HydrophobicContact CB-CG1 4.21Å; K54-V105 HydrophobicContact CB-CG2 3.85Å; K54-V105 HydrophobicContact CD-CG2 3.76Å; K54-V105 HydrophobicContact CG-CG2 4.44Å; M55-V105 HydrophobicContact CE-CG1 3.81Å; M55-V105 HydrophobicContact CG-CG1 3.88Å; I58-V105 HydrophobicContact CD1-CG2 4.25Å; T101-V105 WeakPolarHBondContact O-CG2 3.49Å; T101-V105 PolarHBondContact O-N 2.86Å; T101-V105 VanDerWaalsContact O-N 3.08Å; L102-V105 PolarHBondContact O-N 2.93Å; V105-E107 VanDerWaalsContact C-N 3.33Å; V105-D108 PolarHBondContact O-N 2.98Å; V105-T109 PolarHBondContact O-N 3.36Å; V105-T109 PolarHBondContact O-OG1 3.36Å |
| 106 | L | 97.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.2 | -28.1 | -179.5 | -67 | 168.6 | 0 | 0 | 0 | 112.4 | M55 L102 A103 E104 T109 L110 F176 P178 L186 | M55-L106 HydrophobicContact CE-CD2 3.38Å; M55-L106 HydrophobicContact CE-CG 4.28Å; M55-L106 HydrophobicContact SD-CD2 4.26Å; L102-L106 HydrophobicContact CD1-CD1 3.96Å; L102-L106 HydrophobicContact CD1-CD2 4.46Å; L102-L106 HydrophobicContact CD1-CG 4.01Å; L102-L106 HydrophobicContact CD2-CD1 4.37Å; L102-L106 HydrophobicContact CG-CD1 3.71Å; L102-L106 HydrophobicContact CG-CG 4.22Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 WeakPolarHBondContact O-CG 3.3Å; L102-L106 PolarHBondContact O-N 3.46Å; A103-L106 PolarHBondContact O-N 3.26Å; E104-L106 VanDerWaalsContact C-N 3.34Å; E104-L106 PolarHBondContact O-N 3.14Å; L106-T109 PolarHBondContact O-N 2.83Å; L106-L110 WeakPolarHBondContact O-CB 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.21Å; L106-L110 PolarHBondContact O-N 2.93Å; L106-F176 HydrophobicContact CD2-CB 3.93Å; L106-F176 HydrophobicContact CD2-CD1 3.68Å; L106-F176 HydrophobicContact CD2-CG 4.28Å; L106-P178 VanDerWaalsContact CD1-CA 3.49Å; L106-P178 HydrophobicContact CD1-CB 3.98Å; L106-L186 HydrophobicContact CD1-CD1 3.97Å; L106-L186 HydrophobicContact CD2-CD1 3.93Å |
| 107 | E | 97.9 | Very high | 96 | Very high | 140 Ų | 140 | 52.4 Ų | 52.4 | 65% | 0.654 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.7 | -48.4 | 171.6 | -172.7 | 174 | -176.1 | 0 | 0 | 110.6 | A103 E104 V105 T109 L110 G111 | A103-E107 PolarHBondContact O-N 3.2Å; E104-E107 PolarHBondContact O-N 2.89Å; V105-E107 VanDerWaalsContact C-N 3.33Å; E107-T109 VanDerWaalsContact C-N 3.33Å; E107-T109 PolarHBondContact O-N 3.35Å; E107-L110 PolarHBondContact O-N 2.96Å; E107-G111 PolarHBondContact O-N 2.96Å |
| 108 | D | 97.1 | Very high | 96.2 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 173.3 | -66.5 | -21.8 | 0 | 0 | 0 | 111.2 | R48 E51 E104 V105 L110 G111 G112 | R48-D108 PolarHBondContact NH2-O 3.2Å; E51-D108 WeakPolarHBondContact OE1-CB 3.49Å; E104-D108 PolarHBondContact O-N 2.62Å; V105-D108 PolarHBondContact O-N 2.98Å; D108-L110 PolarHBondContact O-N 2.9Å; D108-G111 PolarHBondContact O-N 3.18Å; D108-G112 PolarHBondContact O-N 2.84Å |
| 109 | T | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 176.5 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | E51 M55 V105 L106 E107 G112 L113 F176 L190 | E51-T109 WeakPolarHBondContact OE2-CA 3.23Å; E51-T109 WeakPolarHBondContact OE2-CB 3.48Å; E51-T109 PolarHBondContact OE2-OG1 3.04Å; M55-T109 HydrophobicContact CE-CG2 4.46Å; M55-T109 WeakPolarHBondContact CE-OG1 3.48Å; V105-T109 PolarHBondContact O-N 3.36Å; V105-T109 PolarHBondContact O-OG1 3.36Å; L106-T109 PolarHBondContact O-N 2.83Å; E107-T109 VanDerWaalsContact C-N 3.33Å; E107-T109 PolarHBondContact O-N 3.35Å; T109-G112 PolarHBondContact O-N 2.98Å; T109-L113 HydrophobicContact CG2-CD1 4.08Å; T109-L113 HydrophobicContact CG2-CG 4.35Å; T109-L113 VanDerWaalsContact O-CG 3.32Å; T109-L113 WeakPolarHBondContact O-CG 3.48Å; T109-L113 PolarHBondContact O-N 3.37Å; T109-F176 HydrophobicContact CG2-CD1 4.38Å; T109-F176 HydrophobicContact CG2-CE1 4.39Å; T109-L190 HydrophobicContact CG2-CD1 3.81Å; T109-L190 HydrophobicContact CG2-CD2 4.09Å |
| 110 | L | 98 | Very high | 96.6 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | -179.9 | -74.6 | 170.2 | 0 | 0 | 0 | 111.8 | L106 E107 D108 G112 L113 E114 A172 K173 F176 | L106-L110 WeakPolarHBondContact O-CB 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.21Å; L106-L110 PolarHBondContact O-N 2.93Å; E107-L110 PolarHBondContact O-N 2.96Å; D108-L110 PolarHBondContact O-N 2.9Å; L110-G112 VanDerWaalsContact C-N 3.32Å; L110-G112 PolarHBondContact O-N 3.27Å; L110-L113 PolarHBondContact O-N 3.39Å; L110-E114 WeakPolarHBondContact O-CG 3.35Å; L110-E114 PolarHBondContact O-N 3.34Å; L110-A172 HydrophobicContact CD2-CB 3.89Å; L110-K173 HydrophobicContact CD2-CG 4.2Å; L110-F176 HydrophobicContact CD2-CB 4.25Å |
| 111 | G | 97.3 | Very high | 96.6 | Very high | 31 Ų | 31 | 43.6 Ų | 43.6 | 32% | 0.32 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | E107 D108 L113 E114 E115 | E107-G111 PolarHBondContact O-N 2.96Å; D108-G111 PolarHBondContact O-N 3.18Å; G111-L113 PolarHBondContact O-N 3.45Å; G111-E114 WeakPolarHBondContact O-CB 3.33Å; G111-E114 PolarHBondContact O-N 2.95Å; G111-E115 PolarHBondContact O-N 3.32Å; G111-E115 VanDerWaalsContact O-N 3.16Å |
| 112 | G | 96.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | W44 D108 T109 L110 E114 E115 L116 | W44-G112 PolarHBondContact NE1-O 3.49Å; D108-G112 PolarHBondContact O-N 2.84Å; T109-G112 PolarHBondContact O-N 2.98Å; L110-G112 VanDerWaalsContact C-N 3.32Å; L110-G112 PolarHBondContact O-N 3.27Å; G112-E114 VanDerWaalsContact C-N 3.34Å; G112-E115 PolarHBondContact O-N 3.32Å; G112-L116 PolarHBondContact O-N 3.41Å; G112-L116 VanDerWaalsContact O-N 3.13Å |
| 113 | L | 96.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.5 | -27.7 | 176.9 | -64.8 | 178.5 | 0 | 0 | 0 | 112.2 | W44 T109 L110 G111 L116 N117 A172 F176 Y193 | W44-L113 HydrophobicContact CZ2-CD2 4.43Å; T109-L113 HydrophobicContact CG2-CD1 4.08Å; T109-L113 HydrophobicContact CG2-CG 4.35Å; T109-L113 VanDerWaalsContact O-CG 3.32Å; T109-L113 WeakPolarHBondContact O-CG 3.48Å; T109-L113 PolarHBondContact O-N 3.37Å; L110-L113 PolarHBondContact O-N 3.39Å; G111-L113 PolarHBondContact O-N 3.45Å; L113-L116 HydrophobicContact CD2-CD2 4.3Å; L113-L116 PolarHBondContact O-N 3.28Å; L113-N117 WeakPolarHBondContact O-CB 3.42Å; L113-N117 PolarHBondContact O-N 3.1Å; L113-N117 PolarHBondContact O-ND2 3.03Å; L113-A172 HydrophobicContact CD1-CB 3.87Å; L113-F176 HydrophobicContact CD1-CD2 4.14Å; L113-F176 HydrophobicContact CD1-CE2 3.87Å; L113-F176 HydrophobicContact CD1-CZ 4.45Å; L113-Y193 HydrophobicContact CD1-CD2 4.06Å; L113-Y193 HydrophobicContact CD1-CE2 4.08Å; L113-Y193 HydrophobicContact CD2-CD2 3.7Å; L113-Y193 HydrophobicContact CD2-CE2 4.37Å |
| 114 | E | 95.7 | Very high | 96.6 | Very high | 94 Ų | 94 | 39.7 Ų | 39.7 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.9 | -40.1 | 171.5 | -74.2 | -178.7 | 171 | 0 | 0 | 112 | L110 G111 G112 N117 T118 K173 | L110-E114 WeakPolarHBondContact O-CG 3.35Å; L110-E114 PolarHBondContact O-N 3.34Å; G111-E114 WeakPolarHBondContact O-CB 3.33Å; G111-E114 PolarHBondContact O-N 2.95Å; G112-E114 VanDerWaalsContact C-N 3.34Å; E114-N117 PolarHBondContact O-N 3.05Å; E114-T118 PolarHBondContact O-N 3.38Å; E114-T118 PolarHBondContact O-OG1 3.49Å; E114-K173 WeakPolarHBondContact OE1-CE 3.49Å; E114-K173 IonicContact OE1-NZ 3.18Å; E114-K173 PolarHBondContact OE1-NZ 3.3Å |
| 115 | E | 93.9 | Very high | 96.5 | Very high | 102 Ų | 102 | 36.9 Ų | 36.9 | 48% | 0.477 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 171.4 | -68.5 | 172.3 | -176.5 | 0 | 0 | 111.4 | G111 G112 N117 T118 F119 | G111-E115 PolarHBondContact O-N 3.32Å; G111-E115 VanDerWaalsContact O-N 3.16Å; G112-E115 PolarHBondContact O-N 3.32Å; E115-N117 VanDerWaalsContact C-N 3.29Å; E115-N117 PolarHBondContact O-N 3.39Å; E115-T118 WeakPolarHBondContact O-CB 3.3Å; E115-T118 PolarHBondContact O-N 3.47Å; E115-F119 PolarHBondContact O-N 3.49Å |
| 116 | L | 95.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -39 | 176.2 | 179.1 | 67.2 | 0 | 0 | 0 | 111.9 | F37 W44 G112 L113 T118 F119 L120 F168 A197 | F37-L116 HydrophobicContact CE1-CD1 3.84Å; F37-L116 HydrophobicContact CE2-CB 4.48Å; F37-L116 HydrophobicContact CE2-CD1 4.28Å; F37-L116 HydrophobicContact CZ-CB 4.37Å; F37-L116 HydrophobicContact CZ-CD1 3.49Å; F37-L116 VanDerWaalsContact CZ-CD1 3.49Å; W44-L116 HydrophobicContact CH2-CD2 3.99Å; W44-L116 HydrophobicContact CZ2-CB 3.9Å; W44-L116 HydrophobicContact CZ2-CD1 4.39Å; W44-L116 HydrophobicContact CZ2-CD2 3.77Å; W44-L116 HydrophobicContact CZ2-CG 4.23Å; G112-L116 PolarHBondContact O-N 3.41Å; G112-L116 VanDerWaalsContact O-N 3.13Å; L113-L116 HydrophobicContact CD2-CD2 4.3Å; L113-L116 PolarHBondContact O-N 3.28Å; L116-T118 VanDerWaalsContact C-N 3.28Å; L116-T118 PolarHBondContact O-N 3.47Å; L116-F119 HydrophobicContact CD1-CD1 3.83Å; L116-F119 HydrophobicContact CD1-CE1 4.46Å; L116-F119 WeakPolarHBondContact O-CB 3.35Å; L116-F119 PolarHBondContact O-N 2.95Å; L116-L120 HydrophobicContact CD1-CD1 4.49Å; L116-L120 HydrophobicContact CD1-CG 4.26Å; L116-L120 HydrophobicContact CD2-CD1 4.23Å; L116-L120 HydrophobicContact CG-CD1 3.89Å; L116-L120 HydrophobicContact CG-CG 4.1Å; L116-L120 WeakPolarHBondContact O-CG 3.36Å; L116-L120 PolarHBondContact O-N 3.35Å; L116-F168 HydrophobicContact CD2-CD1 3.72Å; L116-F168 HydrophobicContact CD2-CE1 3.46Å; L116-F168 VanDerWaalsContact CD2-CE1 3.46Å; L116-F168 HydrophobicContact CD2-CZ 4.12Å; L116-A197 HydrophobicContact CD1-CB 4.2Å |
| 117 | N | 95.7 | Very high | 96.2 | Very high | 78 Ų | 78 | 36.4 Ų | 36.4 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.9 | -34.2 | 179.5 | -76.2 | -27.6 | 0 | 0 | 0 | 112.8 | L113 E114 E115 F119 L120 D121 | L113-N117 WeakPolarHBondContact O-CB 3.42Å; L113-N117 PolarHBondContact O-N 3.1Å; L113-N117 PolarHBondContact O-ND2 3.03Å; E114-N117 PolarHBondContact O-N 3.05Å; E115-N117 VanDerWaalsContact C-N 3.29Å; E115-N117 PolarHBondContact O-N 3.39Å; N117-F119 VanDerWaalsContact C-N 3.33Å; N117-L120 PolarHBondContact O-N 3.35Å; N117-D121 WeakPolarHBondContact O-CB 3.36Å; N117-D121 PolarHBondContact O-N 3.25Å |
| 118 | T | 95.6 | Very high | 96 | Very high | 86 Ų | 86 | 29.8 Ų | 29.8 | 53% | 0.528 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.5 | -43 | 175.6 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | T33 E114 E115 L116 A122 | T33-T118 HydrophobicContact CG2-CG2 3.91Å; E114-T118 PolarHBondContact O-N 3.38Å; E114-T118 PolarHBondContact O-OG1 3.49Å; E115-T118 WeakPolarHBondContact O-CB 3.3Å; E115-T118 PolarHBondContact O-N 3.47Å; L116-T118 VanDerWaalsContact C-N 3.28Å; L116-T118 PolarHBondContact O-N 3.47Å; T118-A122 PolarHBondContact O-N 3.27Å |
| 119 | F | 95.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -50.3 | 172.6 | 162.3 | -98.2 | 0 | 0 | 0 | 112.2 | V34 F37 Y38 E115 L116 N117 D121 A122 V123 I200 | V34-F119 HydrophobicContact CB-CD2 4.46Å; V34-F119 HydrophobicContact CB-CE2 4.35Å; V34-F119 HydrophobicContact CG1-CE2 4.03Å; V34-F119 HydrophobicContact CG2-CD2 4.16Å; V34-F119 HydrophobicContact CG2-CE2 4.14Å; F37-F119 HydrophobicContact CB-CB 3.85Å; F37-F119 HydrophobicContact CB-CD2 3.56Å; F37-F119 HydrophobicContact CB-CE2 4.42Å; F37-F119 HydrophobicContact CB-CG 3.95Å; F37-F119 HydrophobicContact CD1-CB 3.88Å; F37-F119 AromaticContact CD1-CD1 3.84Å; F37-F119 HydrophobicContact CD1-CD1 3.84Å; F37-F119 AromaticContact CD1-CD2 3.48Å; F37-F119 HydrophobicContact CD1-CD2 3.48Å; F37-F119 VanDerWaalsContact CD1-CD2 3.48Å; F37-F119 HydrophobicContact CD1-CE1 4.26Å; F37-F119 AromaticContact CD1-CE2 3.92Å; F37-F119 HydrophobicContact CD1-CE2 3.92Å; F37-F119 AromaticContact CD1-CG 3.44Å; F37-F119 HydrophobicContact CD1-CG 3.44Å; F37-F119 VanDerWaalsContact CD1-CG 3.44Å; F37-F119 HydrophobicContact CD1-CZ 4.3Å; F37-F119 HydrophobicContact CD2-CB 3.82Å; F37-F119 HydrophobicContact CD2-CG 4.32Å; F37-F119 HydrophobicContact CE1-CB 4.41Å; F37-F119 AromaticContact CE1-CD1 3.96Å; F37-F119 HydrophobicContact CE1-CD1 3.96Å; F37-F119 HydrophobicContact CE1-CD2 4.4Å; F37-F119 HydrophobicContact CE1-CE1 4.35Å; F37-F119 AromaticContact CE1-CG 3.99Å; F37-F119 HydrophobicContact CE1-CG 3.99Å; F37-F119 HydrophobicContact CE2-CB 4.38Å; F37-F119 HydrophobicContact CG-CB 3.55Å; F37-F119 HydrophobicContact CG-CD1 4.41Å; F37-F119 AromaticContact CG-CD2 3.68Å; F37-F119 HydrophobicContact CG-CD2 3.68Å; F37-F119 AromaticContact CG-CG 3.62Å; F37-F119 HydrophobicContact CG-CG 3.62Å; Y38-F119 HydrophobicContact CD1-CE2 4.45Å; Y38-F119 AromaticContact CE1-CE2 3.61Å; Y38-F119 HydrophobicContact CE1-CE2 3.61Å; Y38-F119 AromaticContact CE1-CZ 3.83Å; Y38-F119 HydrophobicContact CE1-CZ 3.83Å; Y38-F119 AromaticContact CZ-CE2 3.72Å; Y38-F119 WeakPolarHBondContact OH-CE2 3.34Å; E115-F119 PolarHBondContact O-N 3.49Å; L116-F119 HydrophobicContact CD1-CD1 3.83Å; L116-F119 HydrophobicContact CD1-CE1 4.46Å; L116-F119 WeakPolarHBondContact O-CB 3.35Å; L116-F119 PolarHBondContact O-N 2.95Å; N117-F119 VanDerWaalsContact C-N 3.33Å; F119-D121 VanDerWaalsContact C-N 3.33Å; F119-D121 PolarHBondContact O-N 3.26Å; F119-A122 WeakPolarHBondContact O-CB 3.43Å; F119-A122 PolarHBondContact O-N 2.97Å; F119-V123 HydrophobicContact CD2-CG2 4.29Å; F119-V123 HydrophobicContact CE1-CG2 4.11Å; F119-V123 HydrophobicContact CE2-CG2 3.81Å; F119-V123 HydrophobicContact CZ-CG2 3.69Å; F119-V123 WeakPolarHBondContact O-CG2 3.47Å; F119-V123 PolarHBondContact O-N 3.48Å; F119-I200 HydrophobicContact CE1-CG2 3.65Å; F119-I200 HydrophobicContact CZ-CG2 3.57Å |
| 120 | L | 96.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | -178.5 | -66.4 | 173.6 | 0 | 0 | 0 | 112 | L116 N117 A122 V123 E124 I165 F168 I200 | L116-L120 HydrophobicContact CD1-CD1 4.49Å; L116-L120 HydrophobicContact CD1-CG 4.26Å; L116-L120 HydrophobicContact CD2-CD1 4.23Å; L116-L120 HydrophobicContact CG-CD1 3.89Å; L116-L120 HydrophobicContact CG-CG 4.1Å; L116-L120 WeakPolarHBondContact O-CG 3.36Å; L116-L120 PolarHBondContact O-N 3.35Å; N117-L120 PolarHBondContact O-N 3.35Å; L120-A122 PolarHBondContact O-N 3.26Å; L120-V123 PolarHBondContact O-N 3.23Å; L120-E124 WeakPolarHBondContact O-CG 3.41Å; L120-E124 PolarHBondContact O-N 3.29Å; L120-I165 HydrophobicContact CB-CG2 4.37Å; L120-I165 HydrophobicContact CD2-CG1 4.16Å; L120-I165 HydrophobicContact CD2-CG2 4.38Å; L120-F168 HydrophobicContact CD1-CB 3.51Å; L120-F168 HydrophobicContact CD1-CD1 4.12Å; L120-F168 HydrophobicContact CD1-CD2 3.67Å; L120-F168 HydrophobicContact CD1-CE2 4.4Å; L120-F168 HydrophobicContact CD1-CG 3.5Å; L120-F168 VanDerWaalsContact CD1-CG 3.5Å; L120-F168 HydrophobicContact CD2-CD2 4.07Å; L120-F168 HydrophobicContact CD2-CE2 4.26Å; L120-I200 HydrophobicContact CD2-CD1 4.14Å |
| 121 | D | 96.8 | Very high | 95.2 | Very high | 50 Ų | 50 | 26.1 Ų | 26.1 | 27% | 0.267 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.3 | -39 | 176.8 | -178.6 | 69.2 | 0 | 0 | 0 | 112.2 | N117 F119 E124 K125 R252 | N117-D121 WeakPolarHBondContact O-CB 3.36Å; N117-D121 PolarHBondContact O-N 3.25Å; F119-D121 VanDerWaalsContact C-N 3.33Å; F119-D121 PolarHBondContact O-N 3.26Å; D121-E124 PolarHBondContact O-N 3.03Å; D121-K125 WeakPolarHBondContact O-CG 3.47Å; D121-K125 PolarHBondContact O-N 3.48Å; D121-K125 IonicContact OD1-NZ 2.75Å; D121-K125 WeakPolarHBondContact OD2-CE 3.47Å; D121-K125 IonicContact OD2-NZ 2.72Å; D121-K125 PolarHBondContact OD2-NZ 2.94Å; D121-R252 IonicContact OD1-CZ 2.75Å; D121-R252 IonicContact OD1-NH1 2.62Å; D121-R252 PolarHBondContact OD1-NH1 3.23Å; D121-R252 IonicContact OD1-NH2 2.8Å; D121-R252 PolarHBondContact OD1-NH2 2.93Å |
| 122 | A | 96.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y30 T33 V34 T118 F119 L120 E124 K125 L126 | Y30-A122 HydrophobicContact CD1-CB 4.45Å; T33-A122 HydrophobicContact CG2-CB 3.87Å; V34-A122 HydrophobicContact CG2-CB 3.95Å; T118-A122 PolarHBondContact O-N 3.27Å; F119-A122 WeakPolarHBondContact O-CB 3.43Å; F119-A122 PolarHBondContact O-N 2.97Å; L120-A122 PolarHBondContact O-N 3.26Å; A122-E124 PolarHBondContact O-N 2.82Å; A122-K125 PolarHBondContact O-N 2.94Å; A122-L126 WeakPolarHBondContact O-CB 3.37Å; A122-L126 VanDerWaalsContact O-CG 3.3Å; A122-L126 WeakPolarHBondContact O-CG 3.34Å; A122-L126 PolarHBondContact O-N 3.14Å |
| 123 | V | 95.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 174.7 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | V34 F119 L120 K125 L126 A127 A158 I161 I165 | V34-V123 HydrophobicContact CG2-CG2 3.73Å; F119-V123 HydrophobicContact CD2-CG2 4.29Å; F119-V123 HydrophobicContact CE1-CG2 4.11Å; F119-V123 HydrophobicContact CE2-CG2 3.81Å; F119-V123 HydrophobicContact CZ-CG2 3.69Å; F119-V123 WeakPolarHBondContact O-CG2 3.47Å; F119-V123 PolarHBondContact O-N 3.48Å; L120-V123 PolarHBondContact O-N 3.23Å; V123-K125 PolarHBondContact O-N 3.19Å; V123-L126 PolarHBondContact O-N 3.04Å; V123-A127 WeakPolarHBondContact O-CB 3.49Å; V123-A127 PolarHBondContact O-N 3.35Å; V123-A158 HydrophobicContact CG1-CB 4.06Å; V123-I161 HydrophobicContact CG1-CD1 3.56Å; V123-I161 HydrophobicContact CG1-CG1 3.87Å; V123-I161 HydrophobicContact CG2-CD1 4.37Å; V123-I165 HydrophobicContact CB-CD1 4.16Å; V123-I165 HydrophobicContact CG1-CD1 3.77Å |
| 124 | E | 96.1 | Very high | 94 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 177.7 | -71.6 | 178.5 | -146.5 | 0 | 0 | 111.9 | L120 D121 A122 L126 A127 V128 I165 K169 R252 L256 | L120-E124 WeakPolarHBondContact O-CG 3.41Å; L120-E124 PolarHBondContact O-N 3.29Å; D121-E124 PolarHBondContact O-N 3.03Å; A122-E124 PolarHBondContact O-N 2.82Å; E124-L126 VanDerWaalsContact C-N 3.35Å; E124-A127 WeakPolarHBondContact O-CB 3.32Å; E124-A127 PolarHBondContact O-N 3.2Å; E124-V128 WeakPolarHBondContact O-CG2 3.44Å; E124-V128 PolarHBondContact O-N 3.14Å; E124-I165 HydrophobicContact CG-CD1 3.61Å; E124-I165 HydrophobicContact CG-CG2 4.22Å; E124-I165 VanDerWaalsContact OE1-CG2 3.23Å; E124-I165 WeakPolarHBondContact OE1-CG2 3.36Å; E124-K169 WeakPolarHBondContact OE1-CE 3.22Å; E124-K169 IonicContact OE1-NZ 3.4Å; E124-K169 PolarHBondContact OE1-NZ 3.1Å; E124-K169 IonicContact OE2-NZ 3.73Å; E124-K169 PolarHBondContact OE2-NZ 3.47Å; E124-R252 IonicContact OE2-CZ 3.33Å; E124-R252 IonicContact OE2-NH1 4Å; E124-R252 PolarHBondContact OE2-NH1 3.46Å; E124-L256 HydrophobicContact CG-CD2 4.19Å |
| 125 | K | 97.1 | Very high | 93.4 | Very high | 34 Ų | 34 | 26 Ų | 26 | 15% | 0.148 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.4 | -36.6 | 177 | -71.8 | 171 | 177.8 | 159.4 | 0 | 112.5 | Y30 D121 A122 V123 V128 T129 R246 | Y30-K125 HydrophobicContact CD1-CD 4.13Å; Y30-K125 HydrophobicContact CD2-CB 3.91Å; Y30-K125 HydrophobicContact CD2-CD 4.49Å; Y30-K125 HydrophobicContact CE1-CD 3.62Å; Y30-K125 HydrophobicContact CE2-CB 3.95Å; Y30-K125 HydrophobicContact CE2-CD 4.02Å; Y30-K125 HydrophobicContact CG-CB 4.3Å; D121-K125 WeakPolarHBondContact O-CG 3.47Å; D121-K125 PolarHBondContact O-N 3.48Å; D121-K125 IonicContact OD1-NZ 2.75Å; D121-K125 WeakPolarHBondContact OD2-CE 3.47Å; D121-K125 IonicContact OD2-NZ 2.72Å; D121-K125 PolarHBondContact OD2-NZ 2.94Å; A122-K125 PolarHBondContact O-N 2.94Å; V123-K125 PolarHBondContact O-N 3.19Å; K125-V128 WeakPolarHBondContact O-CG2 3.03Å; K125-T129 PolarHBondContact O-N 3.28Å; K125-T129 PolarHBondContact O-OG1 2.72Å; K125-R246 HydrophobicContact CB-CG 4.13Å; K125-R246 HydrophobicContact CG-CG 4.34Å |
| 126 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.3 | -41.6 | 173 | -73.6 | 166.1 | 0 | 0 | 0 | 111.5 | T27 M31 V34 A122 V123 E124 V128 T129 V154 I155 A158 | T27-L126 HydrophobicContact CG2-CD2 3.92Å; M31-L126 HydrophobicContact CG-CD1 4.42Å; M31-L126 HydrophobicContact CG-CD2 3.85Å; V34-L126 HydrophobicContact CG2-CD1 3.81Å; A122-L126 WeakPolarHBondContact O-CB 3.37Å; A122-L126 VanDerWaalsContact O-CG 3.3Å; A122-L126 WeakPolarHBondContact O-CG 3.34Å; A122-L126 PolarHBondContact O-N 3.14Å; V123-L126 PolarHBondContact O-N 3.04Å; E124-L126 VanDerWaalsContact C-N 3.35Å; L126-V128 PolarHBondContact O-N 3.32Å; L126-T129 VanDerWaalsContact O-CB 3.24Å; L126-T129 WeakPolarHBondContact O-CB 3.47Å; L126-T129 PolarHBondContact O-N 3.39Å; L126-V154 HydrophobicContact CD1-CG1 3.86Å; L126-V154 HydrophobicContact CD2-CG1 4.42Å; L126-I155 HydrophobicContact CD2-CG1 4.46Å; L126-A158 HydrophobicContact CB-CB 3.71Å |
| 127 | A | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -38.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V123 E124 T129 A158 Q159 C162 F255 | V123-A127 WeakPolarHBondContact O-CB 3.49Å; V123-A127 PolarHBondContact O-N 3.35Å; E124-A127 WeakPolarHBondContact O-CB 3.32Å; E124-A127 PolarHBondContact O-N 3.2Å; A127-T129 VanDerWaalsContact C-N 3.32Å; A127-T129 PolarHBondContact O-N 2.87Å; A127-A158 HydrophobicContact CB-CB 4.21Å; A127-Q159 HydrophobicContact CB-CG 4.39Å; A127-Q159 WeakPolarHBondContact O-CG 3.31Å; A127-Q159 PolarHBondContact O-NE2 3.38Å; A127-C162 HydrophobicContact CB-CB 3.88Å; A127-F255 HydrophobicContact CB-CD1 4.1Å; A127-F255 HydrophobicContact CB-CE1 3.84Å; A127-F255 WeakPolarHBondContact O-CE1 3.45Å; A127-F255 WeakPolarHBondContact O-CZ 3.23Å |
| 128 | V | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 11.6 | 177.1 | -60.5 | 0 | 0 | 0 | 0 | 114.2 | E124 K125 L126 R246 F251 R252 F255 L515 | E124-V128 WeakPolarHBondContact O-CG2 3.44Å; E124-V128 PolarHBondContact O-N 3.14Å; K125-V128 WeakPolarHBondContact O-CG2 3.03Å; L126-V128 PolarHBondContact O-N 3.32Å; V128-R246 HydrophobicContact CG2-CB 4.21Å; V128-R246 HydrophobicContact CG2-CG 4.14Å; V128-F251 HydrophobicContact CB-CD1 4.23Å; V128-F251 HydrophobicContact CB-CE1 3.74Å; V128-F251 HydrophobicContact CG1-CD1 3.85Å; V128-F251 HydrophobicContact CG1-CE1 3.42Å; V128-F251 VanDerWaalsContact CG1-CE1 3.42Å; V128-F251 HydrophobicContact CG1-CZ 4.39Å; V128-R252 HydrophobicContact CG1-CG 4.09Å; V128-R252 HydrophobicContact CG2-CG 3.96Å; V128-F255 HydrophobicContact CG1-CB 3.78Å; V128-F255 HydrophobicContact CG1-CD1 3.67Å; V128-F255 HydrophobicContact CG1-CD2 4.11Å; V128-F255 HydrophobicContact CG1-CE1 4.24Å; V128-F255 HydrophobicContact CG1-CG 3.58Å; V128-L515 WeakPolarHBondContact O-CD2 3.25Å |
| 129 | T | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -82.6 | 139 | 175.6 | -69.9 | 0 | 0 | 0 | 0 | 111 | Y23 T27 K125 L126 A127 L131 F134 I155 R246 | Y23-T129 HydrophobicContact CE1-CG2 4.38Å; T27-T129 HydrophobicContact CG2-CG2 4.23Å; K125-T129 PolarHBondContact O-N 3.28Å; K125-T129 PolarHBondContact O-OG1 2.72Å; L126-T129 VanDerWaalsContact O-CB 3.24Å; L126-T129 WeakPolarHBondContact O-CB 3.47Å; L126-T129 PolarHBondContact O-N 3.39Å; A127-T129 VanDerWaalsContact C-N 3.32Å; A127-T129 PolarHBondContact O-N 2.87Å; T129-L131 PolarHBondContact O-N 2.77Å; T129-F134 HydrophobicContact CG2-CD2 4.29Å; T129-F134 HydrophobicContact CG2-CE2 3.74Å; T129-I155 HydrophobicContact CG2-CD1 3.62Å; T129-I155 HydrophobicContact CG2-CG1 4.11Å; T129-I155 WeakPolarHBondContact O-CG2 3.23Å; T129-R246 PolarHBondContact OG1-NE 3.41Å; T129-R246 VanDerWaalsContact OG1-NE 3.11Å; T129-R246 PolarHBondContact OG1-NH2 3Å |
| 130 | S | 91.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | trans | -75 | 121.9 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | Y23 H132 V133 L515 | Y23-S130 PolarHBondContact OH-N 3.05Å; S130-H132 PolarHBondContact O-N 3.29Å; S130-H132 PolarHBondContact OG-N 3.36Å; S130-V133 PolarHBondContact O-N 2.82Å; S130-L515 PolarHBondContact OG-O 3.38Å | ||
| 131 | L | 90.2 | Very high | 89.2 | Confident | 44 Ų | 44 | 36.1 Ų | 36.1 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -61.2 | -27.7 | 171.3 | -69.8 | 168.3 | 0 | 0 | 0 | 112.5 | T129 V133 F134 T135 Q152 I155 | T129-L131 PolarHBondContact O-N 2.77Å; L131-V133 VanDerWaalsContact C-N 3.3Å; L131-V133 PolarHBondContact O-N 3.28Å; L131-F134 CarbonylContact O-C 3.56Å; L131-F134 PolarHBondContact O-N 3.5Å; L131-T135 PolarHBondContact O-N 2.73Å; L131-T135 PolarHBondContact O-OG1 3.29Å; L131-Q152 HydrophobicContact CD2-CB 4.02Å; L131-Q152 HydrophobicContact CD2-CG 4.07Å; L131-I155 HydrophobicContact CD2-CB 3.65Å; L131-I155 HydrophobicContact CD2-CD1 4.26Å; L131-I155 HydrophobicContact CD2-CG2 3.44Å; L131-I155 VanDerWaalsContact CD2-CG2 3.44Å; L131-I155 HydrophobicContact CG-CG2 3.82Å |
| 132 | H | 86.5 | Confident | 88.7 | Confident | 61 Ų | 61 | 35 Ų | 35 | 28% | 0.282 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -69 | -27.4 | -175.1 | -67 | 86.4 | 0 | 0 | 0 | 113.2 | S130 F134 T135 L515 Q516 F519 | S130-H132 PolarHBondContact O-N 3.29Å; S130-H132 PolarHBondContact OG-N 3.36Å; H132-F134 PolarHBondContact O-N 3.24Å; H132-T135 PolarHBondContact O-N 3.08Å; H132-L515 PolarHBondContact ND1-O 3.23Å; H132-Q516 VanDerWaalsContact CE1-C 3.49Å; H132-Q516 WeakPolarHBondContact CE1-CA 3.42Å; H132-Q516 PolarHBondContact CE1-O 2.96Å; H132-Q516 PolarHBondContact NE2-O 3.3Å; H132-F519 HydrophobicContact CB-CB 4.38Å; H132-F519 WeakPolarHBondContact O-CB 2.95Å |
| 133 | V | 88.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -67.1 | -29.8 | 173.2 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | L20 Y23 S130 L131 N137 I140 I239 L242 F519 | L20-V133 HydrophobicContact CD1-CG1 3.89Å; Y23-V133 HydrophobicContact CD1-CG1 3.99Å; Y23-V133 HydrophobicContact CD1-CG2 4.48Å; Y23-V133 HydrophobicContact CE1-CB 4.11Å; Y23-V133 HydrophobicContact CE1-CG1 4.01Å; Y23-V133 HydrophobicContact CE1-CG2 3.89Å; S130-V133 PolarHBondContact O-N 2.82Å; L131-V133 VanDerWaalsContact C-N 3.3Å; L131-V133 PolarHBondContact O-N 3.28Å; V133-N137 PolarHBondContact O-ND2 3.2Å; V133-I140 HydrophobicContact CG1-CD1 3.94Å; V133-I140 WeakPolarHBondContact O-CD1 3.48Å; V133-I239 HydrophobicContact CG1-CD1 4.27Å; V133-I239 HydrophobicContact CG2-CD1 3.72Å; V133-L242 HydrophobicContact CG2-CD1 3.76Å; V133-F519 HydrophobicContact CG2-CD2 4.07Å; V133-F519 HydrophobicContact CG2-CE2 4.33Å; V133-F519 HydrophobicContact CG2-CG 4.47Å |
| 134 | F | 89.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -103.3 | 16.7 | -177.5 | -61.1 | -76.7 | 0 | 0 | 0 | 112.9 | Y23 V24 T27 T129 L131 H132 F148 V151 Q152 I155 | Y23-F134 HydrophobicContact CE1-CE2 4.18Å; V24-F134 HydrophobicContact CB-CE1 4.4Å; V24-F134 HydrophobicContact CG1-CE1 4.09Å; V24-F134 HydrophobicContact CG2-CE1 3.99Å; V24-F134 HydrophobicContact CG2-CZ 4.16Å; T27-F134 HydrophobicContact CG2-CE1 4.47Å; T27-F134 HydrophobicContact CG2-CE2 3.88Å; T27-F134 HydrophobicContact CG2-CZ 3.7Å; T27-F134 WeakPolarHBondContact OG1-CZ 3.23Å; T129-F134 HydrophobicContact CG2-CD2 4.29Å; T129-F134 HydrophobicContact CG2-CE2 3.74Å; L131-F134 CarbonylContact O-C 3.56Å; L131-F134 PolarHBondContact O-N 3.5Å; H132-F134 PolarHBondContact O-N 3.24Å; F134-F148 HydrophobicContact CB-CD1 4.23Å; F134-F148 HydrophobicContact CD1-CD1 4.49Å; F134-F148 WeakPolarHBondContact O-CB 3.46Å; F134-F148 WeakPolarHBondContact O-CD1 3.43Å; F134-V151 HydrophobicContact CB-CB 4.44Å; F134-V151 HydrophobicContact CB-CG1 4.08Å; F134-V151 HydrophobicContact CD1-CB 4.11Å; F134-V151 HydrophobicContact CD1-CG1 3.46Å; F134-V151 VanDerWaalsContact CD1-CG1 3.46Å; F134-V151 HydrophobicContact CD1-CG2 4.39Å; F134-V151 HydrophobicContact CD2-CG1 3.91Å; F134-V151 HydrophobicContact CE1-CG1 3.8Å; F134-V151 HydrophobicContact CE2-CG1 4.23Å; F134-V151 HydrophobicContact CG-CB 4.29Å; F134-V151 HydrophobicContact CG-CG1 3.51Å; F134-V151 HydrophobicContact CZ-CG1 4.19Å; F134-Q152 HydrophobicContact CB-CG 4.18Å; F134-Q152 PolarHBondContact O-NE2 3.27Å; F134-I155 HydrophobicContact CD2-CD1 3.63Å; F134-I155 HydrophobicContact CE2-CD1 4.07Å; F134-I155 HydrophobicContact CG-CD1 4.36Å |
| 135 | T | 84.9 | Confident | 86.9 | Confident | 68 Ų | 68 | 49.5 Ų | 49.5 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -77.3 | 136 | 167 | -53.4 | 0 | 0 | 0 | 0 | 108.8 | L131 H132 N137 | L131-T135 PolarHBondContact O-N 2.73Å; L131-T135 PolarHBondContact O-OG1 3.29Å; H132-T135 PolarHBondContact O-N 3.08Å; T135-N137 PolarHBondContact O-N 2.88Å; T135-N137 VanDerWaalsContact O-N 3.13Å; T135-N137 PolarHBondContact O-ND2 3.49Å |
| 136 | E | 73.8 | Confident | 86.4 | Confident | 170 Ų | 170 | 48.2 Ų | 48.2 | 79% | 0.794 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -48.1 | 121.6 | -177.2 | -169.4 | 177.4 | -169.6 | 0 | 0 | 110.7 | F148 | E136-F148 HydrophobicContact CB-CD2 4.42Å; E136-F148 HydrophobicContact CG-CD2 4.37Å |
| 137 | N | 77.3 | Confident | 86 | Confident | 32 Ų | 32 | 50.5 Ų | 50.5 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | trans | -148.2 | 166.1 | -174.7 | 66.8 | 69.4 | 0 | 0 | 0 | 111 | V133 T135 I139 I140 | V133-N137 PolarHBondContact O-ND2 3.2Å; T135-N137 PolarHBondContact O-N 2.88Å; T135-N137 VanDerWaalsContact O-N 3.13Å; T135-N137 PolarHBondContact O-ND2 3.49Å; N137-I139 VanDerWaalsContact C-N 3.3Å; N137-I139 WeakPolarHBondContact OD1-CA 3.24Å; N137-I139 WeakPolarHBondContact OD1-CB 2.88Å; N137-I139 PolarHBondContact OD1-N 3.2Å; N137-I140 PolarHBondContact OD1-N 2.91Å | ||
| 138 | Q | 76 | Confident | 85.7 | Confident | 151 Ų | 151 | 52 Ų | 52 | 71% | 0.706 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -87.2 | 1.8 | -179.9 | -63 | -178.4 | -4 | 0 | 0 | 113.4 | ||
| 139 | I | 83 | Confident | 85.5 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -96.5 | -40 | -170.8 | -63.7 | 174.9 | 0 | 0 | 0 | 110.9 | L20 N137 V222 N223 L227 M235 L520 | L20-I139 HydrophobicContact CD2-CG2 3.78Å; N137-I139 VanDerWaalsContact C-N 3.3Å; N137-I139 WeakPolarHBondContact OD1-CA 3.24Å; N137-I139 WeakPolarHBondContact OD1-CB 2.88Å; N137-I139 PolarHBondContact OD1-N 3.2Å; I139-V222 HydrophobicContact CG2-CG1 3.96Å; I139-V222 CarbonylContact O-C 3.55Å; I139-V222 WeakPolarHBondContact O-CA 3.41Å; I139-N223 WeakPolarHBondContact CA-O 3.24Å; I139-N223 WeakPolarHBondContact CG2-O 3.17Å; I139-N223 PolarHBondContact O-N 2.97Å; I139-L227 HydrophobicContact CD1-CD1 3.99Å; I139-L227 HydrophobicContact CD1-CD2 4.17Å; I139-L227 HydrophobicContact CG1-CD1 4.44Å; I139-M235 HydrophobicContact CD1-CE 3.41Å; I139-M235 VanDerWaalsContact CD1-CE 3.41Å; I139-M235 HydrophobicContact CD1-SD 4.15Å; I139-L520 HydrophobicContact CD1-CD1 3.74Å; I139-L520 HydrophobicContact CD1-CD2 4.04Å; I139-L520 HydrophobicContact CD1-CG 4.2Å |
| 140 | I | 86.9 | Confident | 85.2 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.2 | -175.3 | -56.3 | 170.8 | 0 | 0 | 0 | 109.2 | L20 V24 V133 N137 L142 F148 F519 | L20-I140 HydrophobicContact CD1-CD1 3.83Å; L20-I140 HydrophobicContact CD1-CG1 4.47Å; L20-I140 HydrophobicContact CD2-CD1 3.89Å; L20-I140 HydrophobicContact CD2-CG1 3.65Å; L20-I140 HydrophobicContact CG-CD1 4.01Å; L20-I140 HydrophobicContact CG-CG1 4.11Å; V24-I140 HydrophobicContact CG2-CD1 4.09Å; V24-I140 HydrophobicContact CG2-CG2 4.26Å; V133-I140 HydrophobicContact CG1-CD1 3.94Å; V133-I140 WeakPolarHBondContact O-CD1 3.48Å; N137-I140 PolarHBondContact OD1-N 2.91Å; I140-L142 HydrophobicContact CG2-CD2 4.05Å; I140-L142 HydrophobicContact CG2-CG 4.49Å; I140-F148 HydrophobicContact CB-CE1 4.41Å; I140-F148 HydrophobicContact CB-CZ 4.13Å; I140-F148 HydrophobicContact CG2-CE1 4.42Å; I140-F148 HydrophobicContact CG2-CZ 4.33Å; I140-F148 WeakPolarHBondContact O-CZ 3.04Å; I140-F519 HydrophobicContact CD1-CE1 4.49Å |
| 141 | Y | 87 | Confident | 85.1 | Confident | 121 Ų | 121 | 59.8 Ų | 59.8 | 48% | 0.475 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121 | 166.9 | -61 | -84.2 | 0 | 0 | 0 | 108.5 | I220 A221 N223 | Y141-I220 WeakPolarHBondContact O-CA 3.43Å; Y141-A221 HydrophobicContact CD2-CB 4.22Å; Y141-A221 PolarHBondContact N-O 3.29Å; Y141-A221 PolarHBondContact O-N 3.24Å; Y141-N223 HydrophobicContact CE2-CB 3.68Å |
| 142 | L | 86.3 | Confident | 85.1 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | trans | -87.1 | 159.8 | 174.5 | -63.9 | 179.9 | 0 | 0 | 0 | 110.4 | V24 I140 F148 V151 | V24-L142 HydrophobicContact CG1-CD2 3.79Å; I140-L142 HydrophobicContact CG2-CD2 4.05Å; I140-L142 HydrophobicContact CG2-CG 4.49Å; L142-F148 HydrophobicContact CD1-CD1 3.59Å; L142-F148 HydrophobicContact CD1-CD2 4.25Å; L142-F148 HydrophobicContact CD1-CE1 3.75Å; L142-F148 HydrophobicContact CD1-CE2 4.37Å; L142-F148 HydrophobicContact CD1-CG 3.87Å; L142-F148 HydrophobicContact CD1-CZ 4.15Å; L142-F148 HydrophobicContact CG-CD1 4.33Å; L142-F148 HydrophobicContact CG-CE1 3.97Å; L142-F148 HydrophobicContact CG-CE2 4.47Å; L142-F148 HydrophobicContact CG-CZ 4.05Å; L142-V151 HydrophobicContact CD1-CG2 4.09Å | ||
| 143 | P | 85.3 | Confident | 85.2 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | trans | -51.7 | 144.8 | 170 | -25.9 | 35.3 | 0 | 0 | 0 | 111.9 | L28 K145 I146 M216 E219 I220 | L28-P143 HydrophobicContact CD1-CG 4.26Å; P143-K145 PolarHBondContact O-N 3.39Å; P143-I146 HydrophobicContact CB-CD1 4.45Å; P143-I146 HydrophobicContact CG-CD1 4.34Å; P143-I146 PolarHBondContact O-N 3.38Å; P143-I146 VanDerWaalsContact O-O 3.13Å; P143-M216 HydrophobicContact CB-CB 4.04Å; P143-M216 HydrophobicContact CB-SD 4.42Å; P143-M216 HydrophobicContact CG-CB 3.79Å; P143-M216 WeakPolarHBondContact CG-O 3.36Å; P143-E219 HydrophobicContact CB-CB 4.2Å; P143-E219 WeakPolarHBondContact CB-OE2 3.44Å; P143-E219 HydrophobicContact CG-CB 4.13Å; P143-I220 HydrophobicContact CG-CG1 4.5Å | ||
| 144 | E | 81.6 | Confident | 85.3 | Confident | 196 Ų | 196 | 59.2 Ų | 59.2 | 92% | 0.916 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.9 | -173.9 | -74.3 | -172 | 170.2 | 0 | 0 | 113.9 | ||
| 145 | K | 83.5 | Confident | 85.4 | Confident | 120 Ų | 120 | 59.2 Ų | 59.2 | 52% | 0.522 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.4 | -178.2 | -61.2 | -173.5 | -179.6 | -176.3 | 0 | 114.4 | P143 D211 M216 | P143-K145 PolarHBondContact O-N 3.39Å; K145-D211 HydrophobicContact CD-CB 4.29Å; K145-D211 WeakPolarHBondContact CD-OD2 3.48Å; K145-D211 IonicContact NZ-OD2 2.91Å; K145-D211 PolarHBondContact NZ-OD2 3.03Å; K145-M216 HydrophobicContact CD-CE 3.66Å |
| 146 | I | 85 | Confident | 85.6 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | trans | -126.1 | 118 | -173.9 | -58.4 | 170.3 | 0 | 0 | 0 | 109 | L28 P143 V151 I212 M216 | L28-I146 HydrophobicContact CD1-CD1 4.17Å; L28-I146 HydrophobicContact CD2-CD1 4.26Å; L28-I146 HydrophobicContact CD2-CG2 4.32Å; P143-I146 HydrophobicContact CB-CD1 4.45Å; P143-I146 HydrophobicContact CG-CD1 4.34Å; P143-I146 PolarHBondContact O-N 3.38Å; P143-I146 VanDerWaalsContact O-O 3.13Å; I146-V151 HydrophobicContact CG2-CG2 3.72Å; I146-I212 HydrophobicContact CD1-CB 4.08Å; I146-I212 HydrophobicContact CD1-CD1 3.67Å; I146-I212 HydrophobicContact CD1-CG1 3.65Å; I146-M216 HydrophobicContact CD1-SD 3.98Å; I146-M216 HydrophobicContact CG1-SD 4.47Å | ||
| 147 | S | 88.1 | Confident | 86.4 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 34% | 0.343 | 26% | 0.258 | S | S | . | . | trans | -87.5 | 161.4 | 173.5 | 72.9 | 0 | 0 | 0 | 0 | 112 | D149 D150 V151 | S147-D149 PolarHBondContact O-N 3.34Å; S147-D149 PolarHBondContact OG-N 2.94Å; S147-D150 WeakPolarHBondContact CB-OD2 3.5Å; S147-D150 PolarHBondContact N-OD2 2.88Å; S147-D150 PolarHBondContact O-N 3.18Å; S147-D150 PolarHBondContact OG-N 3.35Å; S147-D150 VanDerWaalsContact OG-N 3.1Å; S147-D150 PolarHBondContact OG-OD2 2.58Å; S147-V151 PolarHBondContact O-N 2.88Å | ||
| 148 | F | 87.8 | Confident | 87.1 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -35.7 | 169.8 | -77.1 | -71.4 | 0 | 0 | 0 | 112 | F134 E136 I140 L142 D150 V151 Q152 | F134-F148 HydrophobicContact CB-CD1 4.23Å; F134-F148 HydrophobicContact CD1-CD1 4.49Å; F134-F148 WeakPolarHBondContact O-CB 3.46Å; F134-F148 WeakPolarHBondContact O-CD1 3.43Å; E136-F148 HydrophobicContact CB-CD2 4.42Å; E136-F148 HydrophobicContact CG-CD2 4.37Å; I140-F148 HydrophobicContact CB-CE1 4.41Å; I140-F148 HydrophobicContact CB-CZ 4.13Å; I140-F148 HydrophobicContact CG2-CE1 4.42Å; I140-F148 HydrophobicContact CG2-CZ 4.33Å; I140-F148 WeakPolarHBondContact O-CZ 3.04Å; L142-F148 HydrophobicContact CD1-CD1 3.59Å; L142-F148 HydrophobicContact CD1-CD2 4.25Å; L142-F148 HydrophobicContact CD1-CE1 3.75Å; L142-F148 HydrophobicContact CD1-CE2 4.37Å; L142-F148 HydrophobicContact CD1-CG 3.87Å; L142-F148 HydrophobicContact CD1-CZ 4.15Å; L142-F148 HydrophobicContact CG-CD1 4.33Å; L142-F148 HydrophobicContact CG-CE1 3.97Å; L142-F148 HydrophobicContact CG-CE2 4.47Å; L142-F148 HydrophobicContact CG-CZ 4.05Å; F148-D150 VanDerWaalsContact C-N 3.34Å; F148-D150 PolarHBondContact O-N 2.98Å; F148-V151 PolarHBondContact O-N 3.24Å; F148-Q152 WeakPolarHBondContact O-CG 3.47Å; F148-Q152 PolarHBondContact O-N 3.27Å |
| 149 | D | 87.7 | Confident | 87.8 | Confident | 117 Ų | 117 | 44.2 Ų | 44.2 | 63% | 0.626 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64 | -39.1 | 177.9 | -68.7 | -16.3 | 0 | 0 | 0 | 111.5 | S147 Q152 A153 | S147-D149 PolarHBondContact O-N 3.34Å; S147-D149 PolarHBondContact OG-N 2.94Å; D149-Q152 PolarHBondContact O-N 3.4Å; D149-A153 VanDerWaalsContact O-CB 3.28Å; D149-A153 WeakPolarHBondContact O-CB 3.41Å; D149-A153 PolarHBondContact O-N 2.62Å |
| 150 | D | 88.1 | Confident | 87.9 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62 | -46.3 | 176 | -61.1 | -47.6 | 0 | 0 | 0 | 111.1 | S147 F148 A153 V154 F210 | S147-D150 WeakPolarHBondContact CB-OD2 3.5Å; S147-D150 PolarHBondContact N-OD2 2.88Å; S147-D150 PolarHBondContact O-N 3.18Å; S147-D150 PolarHBondContact OG-N 3.35Å; S147-D150 VanDerWaalsContact OG-N 3.1Å; S147-D150 PolarHBondContact OG-OD2 2.58Å; F148-D150 VanDerWaalsContact C-N 3.34Å; F148-D150 PolarHBondContact O-N 2.98Å; D150-A153 PolarHBondContact O-N 2.78Å; D150-V154 WeakPolarHBondContact O-CG2 3.42Å; D150-V154 PolarHBondContact O-N 3.42Å; D150-V154 VanDerWaalsContact O-N 3.13Å; D150-F210 HydrophobicContact CB-CD1 3.99Å; D150-F210 HydrophobicContact CB-CG 4.27Å |
| 151 | V | 90.4 | Very high | 88 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | T27 L28 M31 F134 L142 I146 S147 F148 A153 V154 I155 | T27-V151 HydrophobicContact CG2-CG1 4.07Å; L28-V151 HydrophobicContact CD2-CG2 4Å; M31-V151 HydrophobicContact CE-CB 4.34Å; M31-V151 HydrophobicContact CE-CG2 3.94Å; M31-V151 HydrophobicContact SD-CB 4.21Å; M31-V151 HydrophobicContact SD-CG1 3.87Å; M31-V151 HydrophobicContact SD-CG2 3.99Å; F134-V151 HydrophobicContact CB-CB 4.44Å; F134-V151 HydrophobicContact CB-CG1 4.08Å; F134-V151 HydrophobicContact CD1-CB 4.11Å; F134-V151 HydrophobicContact CD1-CG1 3.46Å; F134-V151 VanDerWaalsContact CD1-CG1 3.46Å; F134-V151 HydrophobicContact CD1-CG2 4.39Å; F134-V151 HydrophobicContact CD2-CG1 3.91Å; F134-V151 HydrophobicContact CE1-CG1 3.8Å; F134-V151 HydrophobicContact CE2-CG1 4.23Å; F134-V151 HydrophobicContact CG-CB 4.29Å; F134-V151 HydrophobicContact CG-CG1 3.51Å; F134-V151 HydrophobicContact CZ-CG1 4.19Å; L142-V151 HydrophobicContact CD1-CG2 4.09Å; I146-V151 HydrophobicContact CG2-CG2 3.72Å; S147-V151 PolarHBondContact O-N 2.88Å; F148-V151 PolarHBondContact O-N 3.24Å; V151-A153 PolarHBondContact O-N 2.83Å; V151-V154 PolarHBondContact O-N 3.48Å; V151-I155 HydrophobicContact CG1-CD1 3.76Å; V151-I155 WeakPolarHBondContact O-CG1 3.32Å; V151-I155 PolarHBondContact O-N 2.86Å |
| 152 | Q | 90.1 | Very high | 88.1 | Confident | 51 Ų | 51 | 41.7 Ų | 41.7 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 177.7 | -72.9 | -175.5 | 23.5 | 0 | 0 | 112.6 | L131 F134 F148 D149 V154 I155 S156 | L131-Q152 HydrophobicContact CD2-CB 4.02Å; L131-Q152 HydrophobicContact CD2-CG 4.07Å; F134-Q152 HydrophobicContact CB-CG 4.18Å; F134-Q152 PolarHBondContact O-NE2 3.27Å; F148-Q152 WeakPolarHBondContact O-CG 3.47Å; F148-Q152 PolarHBondContact O-N 3.27Å; D149-Q152 PolarHBondContact O-N 3.4Å; Q152-V154 VanDerWaalsContact C-N 3.34Å; Q152-V154 PolarHBondContact O-N 3.13Å; Q152-I155 PolarHBondContact O-N 3.29Å; Q152-S156 VanDerWaalsContact O-CB 3.28Å; Q152-S156 WeakPolarHBondContact O-CB 3.37Å; Q152-S156 PolarHBondContact O-N 2.97Å; Q152-S156 PolarHBondContact O-OG 3.47Å |
| 153 | A | 88.6 | Confident | 88.4 | Confident | 41 Ų | 41 | 40.6 Ų | 40.6 | 34% | 0.339 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | D149 D150 V151 S157 | D149-A153 VanDerWaalsContact O-CB 3.28Å; D149-A153 WeakPolarHBondContact O-CB 3.41Å; D149-A153 PolarHBondContact O-N 2.62Å; D150-A153 PolarHBondContact O-N 2.78Å; V151-A153 PolarHBondContact O-N 2.83Å; A153-S157 VanDerWaalsContact O-CB 3.31Å; A153-S157 WeakPolarHBondContact O-CB 3.48Å; A153-S157 PolarHBondContact O-N 3.13Å |
| 154 | V | 90.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -48.1 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | M31 L126 D150 V151 Q152 S156 S157 A158 H204 S207 F210 | M31-V154 HydrophobicContact CE-CB 4.4Å; M31-V154 HydrophobicContact CE-CG2 4.13Å; M31-V154 HydrophobicContact CG-CB 4.34Å; M31-V154 HydrophobicContact CG-CG1 3.81Å; L126-V154 HydrophobicContact CD1-CG1 3.86Å; L126-V154 HydrophobicContact CD2-CG1 4.42Å; D150-V154 WeakPolarHBondContact O-CG2 3.42Å; D150-V154 PolarHBondContact O-N 3.42Å; D150-V154 VanDerWaalsContact O-N 3.13Å; V151-V154 PolarHBondContact O-N 3.48Å; Q152-V154 VanDerWaalsContact C-N 3.34Å; Q152-V154 PolarHBondContact O-N 3.13Å; V154-S156 VanDerWaalsContact C-N 3.31Å; V154-S156 PolarHBondContact O-N 3.5Å; V154-S157 PolarHBondContact O-N 3.35Å; V154-A158 WeakPolarHBondContact O-CB 3.38Å; V154-A158 PolarHBondContact O-N 2.86Å; V154-H204 PolarHBondContact O-NE2 3.36Å; V154-S207 WeakPolarHBondContact CG2-O 3.49Å; V154-F210 HydrophobicContact CG2-CE1 3.34Å; V154-F210 HydrophobicContact CG2-CZ 3.59Å |
| 155 | I | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 177.8 | -67.6 | 162.5 | 0 | 0 | 0 | 110.6 | T27 L126 T129 L131 F134 V151 Q152 S157 A158 Q159 | T27-I155 HydrophobicContact CG2-CD1 4.45Å; L126-I155 HydrophobicContact CD2-CG1 4.46Å; T129-I155 HydrophobicContact CG2-CD1 3.62Å; T129-I155 HydrophobicContact CG2-CG1 4.11Å; T129-I155 WeakPolarHBondContact O-CG2 3.23Å; L131-I155 HydrophobicContact CD2-CB 3.65Å; L131-I155 HydrophobicContact CD2-CD1 4.26Å; L131-I155 HydrophobicContact CD2-CG2 3.44Å; L131-I155 VanDerWaalsContact CD2-CG2 3.44Å; L131-I155 HydrophobicContact CG-CG2 3.82Å; F134-I155 HydrophobicContact CD2-CD1 3.63Å; F134-I155 HydrophobicContact CE2-CD1 4.07Å; F134-I155 HydrophobicContact CG-CD1 4.36Å; V151-I155 HydrophobicContact CG1-CD1 3.76Å; V151-I155 WeakPolarHBondContact O-CG1 3.32Å; V151-I155 PolarHBondContact O-N 2.86Å; Q152-I155 PolarHBondContact O-N 3.29Å; I155-S157 PolarHBondContact O-N 3.36Å; I155-A158 PolarHBondContact O-N 3.49Å; I155-Q159 WeakPolarHBondContact O-CG 3.39Å; I155-Q159 PolarHBondContact O-N 3.43Å |
| 156 | S | 89.4 | Confident | 89.6 | Confident | 51 Ų | 51 | 26.1 Ų | 26.1 | 36% | 0.357 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.5 | -40.7 | -180 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | Q152 V154 Q159 Q160 | Q152-S156 VanDerWaalsContact O-CB 3.28Å; Q152-S156 WeakPolarHBondContact O-CB 3.37Å; Q152-S156 PolarHBondContact O-N 2.97Å; Q152-S156 PolarHBondContact O-OG 3.47Å; V154-S156 VanDerWaalsContact C-N 3.31Å; V154-S156 PolarHBondContact O-N 3.5Å; S156-Q159 WeakPolarHBondContact O-CB 3.38Å; S156-Q159 PolarHBondContact O-N 3.05Å; S156-Q160 PolarHBondContact O-N 3.4Å |
| 157 | S | 89 | Confident | 89.8 | Confident | 10 Ų | 10 | 26.8 Ų | 26.8 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 175.6 | -168.5 | 0 | 0 | 0 | 0 | 111.4 | A153 V154 I155 Q159 Q160 I161 H204 S207 | A153-S157 VanDerWaalsContact O-CB 3.31Å; A153-S157 WeakPolarHBondContact O-CB 3.48Å; A153-S157 PolarHBondContact O-N 3.13Å; V154-S157 PolarHBondContact O-N 3.35Å; I155-S157 PolarHBondContact O-N 3.36Å; S157-Q159 VanDerWaalsContact C-N 3.33Å; S157-Q159 PolarHBondContact O-N 3.05Å; S157-Q160 WeakPolarHBondContact O-CB 3.38Å; S157-Q160 PolarHBondContact O-N 2.94Å; S157-I161 WeakPolarHBondContact O-CG1 3.3Å; S157-I161 PolarHBondContact O-N 3.39Å; S157-H204 WeakPolarHBondContact OG-CA 3.39Å; S157-H204 PolarHBondContact OG-CD2 2.96Å; S157-H204 VanDerWaalsContact OG-CD2 3.3Å; S157-S207 WeakPolarHBondContact CB-OG 3.41Å; S157-S207 PolarHBondContact OG-OG 3.07Å |
| 158 | A | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V123 L126 A127 V154 I155 Q160 I161 C162 | V123-A158 HydrophobicContact CG1-CB 4.06Å; L126-A158 HydrophobicContact CB-CB 3.71Å; A127-A158 HydrophobicContact CB-CB 4.21Å; V154-A158 WeakPolarHBondContact O-CB 3.38Å; V154-A158 PolarHBondContact O-N 2.86Å; I155-A158 PolarHBondContact O-N 3.49Å; A158-Q160 VanDerWaalsContact C-N 3.31Å; A158-Q160 PolarHBondContact O-N 3.32Å; A158-I161 WeakPolarHBondContact O-CG1 3.5Å; A158-I161 PolarHBondContact O-N 3.01Å; A158-C162 WeakPolarHBondContact O-CB 3.42Å; A158-C162 PolarHBondContact O-N 3.39Å |
| 159 | Q | 90.6 | Very high | 90.3 | Very high | 46 Ų | 46 | 26.2 Ų | 26.2 | 22% | 0.215 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 173.5 | -74.2 | 173.7 | -6.5 | 0 | 0 | 112.7 | A127 I155 S156 S157 C162 F255 | A127-Q159 HydrophobicContact CB-CG 4.39Å; A127-Q159 WeakPolarHBondContact O-CG 3.31Å; A127-Q159 PolarHBondContact O-NE2 3.38Å; I155-Q159 WeakPolarHBondContact O-CG 3.39Å; I155-Q159 PolarHBondContact O-N 3.43Å; S156-Q159 WeakPolarHBondContact O-CB 3.38Å; S156-Q159 PolarHBondContact O-N 3.05Å; S157-Q159 VanDerWaalsContact C-N 3.33Å; S157-Q159 PolarHBondContact O-N 3.05Å; Q159-C162 PolarHBondContact O-SG 3.31Å; Q159-C162 VanDerWaalsContact O-SG 3.38Å; Q159-F255 HydrophobicContact CG-CE1 4.07Å; Q159-F255 HydrophobicContact CG-CZ 4.1Å |
| 160 | Q | 85.9 | Confident | 90.4 | Very high | 80 Ų | 80 | 21.9 Ų | 21.9 | 37% | 0.374 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 179.3 | -175.8 | -179.4 | -17.3 | 0 | 0 | 112.5 | S156 S157 A158 V390 L393 | S156-Q160 PolarHBondContact O-N 3.4Å; S157-Q160 WeakPolarHBondContact O-CB 3.38Å; S157-Q160 PolarHBondContact O-N 2.94Å; A158-Q160 VanDerWaalsContact C-N 3.31Å; A158-Q160 PolarHBondContact O-N 3.32Å; Q160-V390 VanDerWaalsContact O-CG2 3.24Å; Q160-V390 WeakPolarHBondContact O-CG2 3.48Å; Q160-L393 HydrophobicContact CG-CD1 4.16Å |
| 161 | I | 87.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -88.2 | -15.8 | -175.5 | 63.5 | 167.2 | 0 | 0 | 0 | 113.9 | V123 S157 A158 P163 L164 I200 I203 H204 | V123-I161 HydrophobicContact CG1-CD1 3.56Å; V123-I161 HydrophobicContact CG1-CG1 3.87Å; V123-I161 HydrophobicContact CG2-CD1 4.37Å; S157-I161 WeakPolarHBondContact O-CG1 3.3Å; S157-I161 PolarHBondContact O-N 3.39Å; A158-I161 WeakPolarHBondContact O-CG1 3.5Å; A158-I161 PolarHBondContact O-N 3.01Å; I161-P163 VanDerWaalsContact C-N 3.29Å; I161-P163 VanDerWaalsContact O-N 3.13Å; I161-L164 WeakPolarHBondContact O-CB 3.28Å; I161-L164 PolarHBondContact O-N 3.48Å; I161-I200 HydrophobicContact CD1-CB 4.48Å; I161-I200 HydrophobicContact CD1-CG2 3.55Å; I161-I203 HydrophobicContact CG2-CB 3.76Å; I161-I203 HydrophobicContact CG2-CD1 4.14Å; I161-I203 HydrophobicContact CG2-CG2 3.39Å; I161-H204 HydrophobicContact CD1-CB 4.05Å |
| 162 | C | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -57.2 | -30.4 | -171.4 | 76.6 | 0 | 0 | 0 | 0 | 115 | A127 A158 Q159 L164 I165 L256 Q258 | A127-C162 HydrophobicContact CB-CB 3.88Å; A158-C162 WeakPolarHBondContact O-CB 3.42Å; A158-C162 PolarHBondContact O-N 3.39Å; Q159-C162 PolarHBondContact O-SG 3.31Å; Q159-C162 VanDerWaalsContact O-SG 3.38Å; C162-L164 PolarHBondContact O-N 2.95Å; C162-I165 HydrophobicContact CB-CD1 4.19Å; C162-I165 VanDerWaalsContact O-CB 3.25Å; C162-I165 WeakPolarHBondContact O-CB 3.5Å; C162-I165 WeakPolarHBondContact O-CG1 3.46Å; C162-I165 PolarHBondContact O-N 2.76Å; C162-L256 HydrophobicContact CB-CD2 3.88Å; C162-L256 WeakPolarHBondContact O-CD2 3.18Å; C162-Q258 PolarHBondContact SG-NE2 3.31Å |
| 163 | P | 91.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -58.7 | -32.8 | 174.2 | -26.2 | 37.3 | 0 | 0 | 0 | 113.7 | I161 I165 L166 L256 Q258 V386 M387 V390 | I161-P163 VanDerWaalsContact C-N 3.29Å; I161-P163 VanDerWaalsContact O-N 3.13Å; P163-I165 PolarHBondContact O-N 2.87Å; P163-L166 WeakPolarHBondContact O-CB 3.47Å; P163-L166 PolarHBondContact O-N 3.45Å; P163-L256 WeakPolarHBondContact CA-O 3.4Å; P163-Q258 HydrophobicContact CG-CB 4.18Å; P163-Q258 HydrophobicContact CG-CG 3.6Å; P163-V386 HydrophobicContact CB-CG1 4.14Å; P163-M387 WeakPolarHBondContact O-CG 3.39Å; P163-V390 HydrophobicContact CB-CG2 3.77Å; P163-V390 HydrophobicContact CG-CG2 3.71Å |
| 164 | L | 90.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -66.1 | -17.8 | 178.8 | -60.5 | 179.5 | 0 | 0 | 0 | 112.8 | I161 C162 L166 E167 T196 I200 I203 M387 V390 | I161-L164 WeakPolarHBondContact O-CB 3.28Å; I161-L164 PolarHBondContact O-N 3.48Å; C162-L164 PolarHBondContact O-N 2.95Å; L164-L166 PolarHBondContact O-N 3.14Å; L164-E167 PolarHBondContact O-N 3.28Å; L164-T196 HydrophobicContact CB-CG2 4.2Å; L164-I200 HydrophobicContact CB-CD1 4.05Å; L164-I200 HydrophobicContact CB-CG1 4.02Å; L164-I200 HydrophobicContact CD1-CG1 3.93Å; L164-I203 HydrophobicContact CD1-CD1 4.37Å; L164-M387 HydrophobicContact CD2-CB 4.34Å; L164-V390 HydrophobicContact CD1-CG1 4.06Å; L164-V390 HydrophobicContact CD2-CB 4.28Å; L164-V390 HydrophobicContact CD2-CG2 4.36Å; L164-V390 HydrophobicContact CG-CB 4.27Å; L164-V390 HydrophobicContact CG-CG1 4.26Å; L164-V390 HydrophobicContact CG-CG2 4.13Å |
| 165 | I | 94.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -66.8 | -21.6 | 178.9 | -56.2 | 179.5 | 0 | 0 | 0 | 111.3 | L120 V123 E124 C162 P163 E167 F168 K169 L256 | L120-I165 HydrophobicContact CB-CG2 4.37Å; L120-I165 HydrophobicContact CD2-CG1 4.16Å; L120-I165 HydrophobicContact CD2-CG2 4.38Å; V123-I165 HydrophobicContact CB-CD1 4.16Å; V123-I165 HydrophobicContact CG1-CD1 3.77Å; E124-I165 HydrophobicContact CG-CD1 3.61Å; E124-I165 HydrophobicContact CG-CG2 4.22Å; E124-I165 VanDerWaalsContact OE1-CG2 3.23Å; E124-I165 WeakPolarHBondContact OE1-CG2 3.36Å; C162-I165 HydrophobicContact CB-CD1 4.19Å; C162-I165 VanDerWaalsContact O-CB 3.25Å; C162-I165 WeakPolarHBondContact O-CB 3.5Å; C162-I165 WeakPolarHBondContact O-CG1 3.46Å; C162-I165 PolarHBondContact O-N 2.76Å; P163-I165 PolarHBondContact O-N 2.87Å; I165-E167 PolarHBondContact O-N 2.85Å; I165-F168 PolarHBondContact O-N 2.84Å; I165-K169 PolarHBondContact O-N 3.21Å; I165-L256 HydrophobicContact CB-CD1 4.34Å; I165-L256 HydrophobicContact CB-CD2 4.44Å; I165-L256 HydrophobicContact CG2-CD1 4.43Å |
| 166 | L | 92.3 | Very high | 91 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -56.9 | -31.2 | 175.6 | -73.7 | 171.5 | 0 | 0 | 0 | 113.4 | P163 L164 F168 K169 M253 L256 F257 L383 V386 M387 | P163-L166 WeakPolarHBondContact O-CB 3.47Å; P163-L166 PolarHBondContact O-N 3.45Å; L164-L166 PolarHBondContact O-N 3.14Å; L166-F168 PolarHBondContact O-N 3.19Å; L166-K169 HydrophobicContact CD2-CG 4.39Å; L166-K169 PolarHBondContact O-N 3.37Å; L166-M253 HydrophobicContact CD2-SD 4.41Å; L166-L256 HydrophobicContact CD1-CB 4.46Å; L166-L256 HydrophobicContact CD2-CB 4.17Å; L166-L256 HydrophobicContact CD2-CD1 3.88Å; L166-L256 HydrophobicContact CG-CB 4.08Å; L166-L256 HydrophobicContact CG-CD1 4.15Å; L166-F257 HydrophobicContact CD1-CE2 4.43Å; L166-F257 HydrophobicContact CD2-CE2 4.09Å; L166-L383 HydrophobicContact CD1-CD2 4.44Å; L166-V386 HydrophobicContact CD1-CB 3.85Å; L166-V386 HydrophobicContact CD1-CG1 3.47Å; L166-V386 VanDerWaalsContact CD1-CG1 3.47Å; L166-V386 HydrophobicContact CD1-CG2 4.41Å; L166-M387 HydrophobicContact CB-CG 4.28Å; L166-M387 HydrophobicContact CB-SD 4.26Å |
| 167 | E | 89.5 | Confident | 91.2 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -58.9 | -32.4 | 175.8 | -175.8 | 60 | -150.7 | 0 | 0 | 111.3 | L164 I165 Q189 Y193 T196 M387 | L164-E167 PolarHBondContact O-N 3.28Å; I165-E167 PolarHBondContact O-N 2.85Å; E167-Q189 PolarHBondContact OE1-NE2 3.49Å; E167-Y193 HydrophobicContact CG-CD1 4.03Å; E167-Y193 HydrophobicContact CG-CE1 4.04Å; E167-Y193 WeakPolarHBondContact O-CE1 3.33Å; E167-T196 HydrophobicContact CB-CG2 4.14Å; E167-T196 HydrophobicContact CG-CG2 4.39Å; E167-M387 HydrophobicContact CB-SD 4.07Å |
| 168 | F | 93.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 30.6 Ų | 30.6 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -93.2 | -3.1 | -176.7 | -54.5 | -78.7 | 0 | 0 | 0 | 114.2 | L116 L120 I165 L166 R170 Y193 T196 A197 I200 | L116-F168 HydrophobicContact CD2-CD1 3.72Å; L116-F168 HydrophobicContact CD2-CE1 3.46Å; L116-F168 VanDerWaalsContact CD2-CE1 3.46Å; L116-F168 HydrophobicContact CD2-CZ 4.12Å; L120-F168 HydrophobicContact CD1-CB 3.51Å; L120-F168 HydrophobicContact CD1-CD1 4.12Å; L120-F168 HydrophobicContact CD1-CD2 3.67Å; L120-F168 HydrophobicContact CD1-CE2 4.4Å; L120-F168 HydrophobicContact CD1-CG 3.5Å; L120-F168 VanDerWaalsContact CD1-CG 3.5Å; L120-F168 HydrophobicContact CD2-CD2 4.07Å; L120-F168 HydrophobicContact CD2-CE2 4.26Å; I165-F168 PolarHBondContact O-N 2.84Å; L166-F168 PolarHBondContact O-N 3.19Å; F168-R170 PolarHBondContact O-N 2.94Å; F168-Y193 AromaticContact CD1-CD1 3.72Å; F168-Y193 HydrophobicContact CD1-CD1 3.72Å; F168-Y193 HydrophobicContact CD1-CD2 4.45Å; F168-Y193 HydrophobicContact CD1-CE1 4.03Å; F168-Y193 AromaticContact CD1-CG 3.95Å; F168-Y193 HydrophobicContact CD1-CG 3.95Å; F168-Y193 AromaticContact CE1-CD1 3.72Å; F168-Y193 HydrophobicContact CE1-CD1 3.72Å; F168-Y193 HydrophobicContact CE1-CE1 4.47Å; F168-Y193 AromaticContact CE1-CG 3.8Å; F168-Y193 HydrophobicContact CE1-CG 3.8Å; F168-T196 HydrophobicContact CE2-CG2 3.57Å; F168-T196 HydrophobicContact CZ-CG2 3.81Å; F168-A197 HydrophobicContact CZ-CB 4.15Å; F168-I200 HydrophobicContact CE2-CD1 3.78Å |
| 169 | K | 93.1 | Very high | 91.3 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 23% | 0.226 | 17% | 0.165 | C | C | . | . | trans | -72.4 | 3.3 | 179.3 | -67.7 | -56.6 | -164.7 | -177.6 | 0 | 114.2 | E124 I165 L166 M253 L256 I497 | E124-K169 WeakPolarHBondContact OE1-CE 3.22Å; E124-K169 IonicContact OE1-NZ 3.4Å; E124-K169 PolarHBondContact OE1-NZ 3.1Å; E124-K169 IonicContact OE2-NZ 3.73Å; E124-K169 PolarHBondContact OE2-NZ 3.47Å; I165-K169 PolarHBondContact O-N 3.21Å; L166-K169 HydrophobicContact CD2-CG 4.39Å; L166-K169 PolarHBondContact O-N 3.37Å; K169-M253 HydrophobicContact CD-CE 3.87Å; K169-M253 HydrophobicContact CD-SD 4.35Å; K169-M253 HydrophobicContact CG-CE 4.22Å; K169-M253 HydrophobicContact CG-SD 4.21Å; K169-L256 VanDerWaalsContact CE-CD1 3.45Å; K169-L256 HydrophobicContact CG-CD1 4.38Å; K169-I497 HydrophobicContact CB-CD1 3.91Å; K169-I497 HydrophobicContact CB-CG1 4.18Å | ||
| 170 | R | 89.9 | Confident | 91.1 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -72.1 | 142.3 | 170.7 | -169.8 | -177.5 | -57 | 175.1 | 8.4 | 110.7 | F168 A172 F175 Q189 Y193 | F168-R170 PolarHBondContact O-N 2.94Å; R170-A172 PolarHBondContact O-N 2.92Å; R170-F175 VanDerWaalsContact CD-CD2 3.41Å; R170-F175 HydrophobicContact CG-CB 4.32Å; R170-F175 HydrophobicContact CG-CD2 4.36Å; R170-F175 HydrophobicContact CG-CG 4.42Å; R170-F175 VanDerWaalsContact NH1-CE1 3.31Å; R170-Q189 VanDerWaalsContact CZ-OE1 3.22Å; R170-Q189 VanDerWaalsContact NH2-CD 3.33Å; R170-Y193 WeakPolarHBondContact CB-OH 3.48Å |
| 171 | D | 89.2 | Confident | 90.8 | Very high | 43 Ų | 43 | 28.6 Ų | 28.6 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | trans | -71.6 | 96.5 | 172.4 | -172.7 | -42.3 | 0 | 0 | 0 | 111 | K173 T174 F175 S493 K496 | D171-K173 VanDerWaalsContact C-N 3.28Å; D171-K173 PolarHBondContact O-N 3.36Å; D171-K173 PolarHBondContact OD1-N 2.81Å; D171-T174 HydrophobicContact CB-CG2 4.5Å; D171-T174 WeakPolarHBondContact CB-OG1 3.31Å; D171-T174 PolarHBondContact O-N 3.11Å; D171-T174 PolarHBondContact O-OG1 2.86Å; D171-T174 VanDerWaalsContact O-OG1 3.05Å; D171-T174 WeakPolarHBondContact OD1-CG2 3.28Å; D171-T174 PolarHBondContact OD1-N 3.16Å; D171-T174 PolarHBondContact OD1-OG1 3.38Å; D171-F175 WeakPolarHBondContact O-CB 3.35Å; D171-F175 PolarHBondContact O-N 3.07Å; D171-S493 PolarHBondContact N-OG 3.2Å; D171-K496 IonicContact OD2-NZ 3.8Å; D171-K496 PolarHBondContact OD2-NZ 2.67Å | ||
| 172 | A | 92.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 29 Ų | 29 | 12% | 0.124 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.9 | -38.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L110 L113 R170 T174 F175 F176 | L110-A172 HydrophobicContact CD2-CB 3.89Å; L113-A172 HydrophobicContact CD1-CB 3.87Å; R170-A172 PolarHBondContact O-N 2.92Å; A172-T174 PolarHBondContact O-N 3.46Å; A172-F175 PolarHBondContact O-N 2.61Å; A172-F176 HydrophobicContact CB-CD2 4.21Å; A172-F176 WeakPolarHBondContact O-CB 3.49Å; A172-F176 WeakPolarHBondContact O-CD2 3.34Å; A172-F176 PolarHBondContact O-N 3.01Å |
| 173 | K | 93.2 | Very high | 90.4 | Very high | 126 Ų | 126 | 29.2 Ų | 29.2 | 55% | 0.548 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67 | -38.1 | -177 | -68.4 | -176.7 | 178.9 | -178.4 | 0 | 112 | L110 E114 D171 | L110-K173 HydrophobicContact CD2-CG 4.2Å; E114-K173 WeakPolarHBondContact OE1-CE 3.49Å; E114-K173 IonicContact OE1-NZ 3.18Å; E114-K173 PolarHBondContact OE1-NZ 3.3Å; D171-K173 VanDerWaalsContact C-N 3.28Å; D171-K173 PolarHBondContact O-N 3.36Å; D171-K173 PolarHBondContact OD1-N 2.81Å |
| 174 | T | 91.7 | Very high | 90 | Very high | 52 Ų | 52 | 31 Ų | 31 | 32% | 0.319 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -80.3 | -25.2 | 176.2 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | D171 A172 L177 S489 | D171-T174 HydrophobicContact CB-CG2 4.5Å; D171-T174 WeakPolarHBondContact CB-OG1 3.31Å; D171-T174 PolarHBondContact O-N 3.11Å; D171-T174 PolarHBondContact O-OG1 2.86Å; D171-T174 VanDerWaalsContact O-OG1 3.05Å; D171-T174 WeakPolarHBondContact OD1-CG2 3.28Å; D171-T174 PolarHBondContact OD1-N 3.16Å; D171-T174 PolarHBondContact OD1-OG1 3.38Å; A172-T174 PolarHBondContact O-N 3.46Å; T174-L177 WeakPolarHBondContact O-CD1 3.45Å; T174-L177 WeakPolarHBondContact O-CG 3.5Å; T174-S489 PolarHBondContact OG1-OG 2.9Å |
| 175 | F | 91.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -83.4 | -48.4 | -178.2 | -169 | -95.4 | 0 | 0 | 0 | 112.8 | R170 D171 A172 L177 V185 L186 Q189 L452 L486 | R170-F175 VanDerWaalsContact CD-CD2 3.41Å; R170-F175 HydrophobicContact CG-CB 4.32Å; R170-F175 HydrophobicContact CG-CD2 4.36Å; R170-F175 HydrophobicContact CG-CG 4.42Å; R170-F175 VanDerWaalsContact NH1-CE1 3.31Å; D171-F175 WeakPolarHBondContact O-CB 3.35Å; D171-F175 PolarHBondContact O-N 3.07Å; A172-F175 PolarHBondContact O-N 2.61Å; F175-L177 PolarHBondContact O-N 3.29Å; F175-V185 HydrophobicContact CZ-CG1 4.02Å; F175-L186 HydrophobicContact CD1-CD2 3.95Å; F175-L186 HydrophobicContact CE1-CD2 3.84Å; F175-L186 VanDerWaalsContact O-CD2 3.3Å; F175-L186 WeakPolarHBondContact O-CD2 3.36Å; F175-Q189 HydrophobicContact CD1-CG 4.41Å; F175-Q189 HydrophobicContact CE1-CB 3.75Å; F175-Q189 HydrophobicContact CE1-CG 3.82Å; F175-Q189 HydrophobicContact CZ-CB 4.35Å; F175-Q189 HydrophobicContact CZ-CG 4.41Å; F175-L452 HydrophobicContact CE2-CD2 3.71Å; F175-L452 HydrophobicContact CZ-CD2 4.01Å; F175-L486 HydrophobicContact CD2-CD2 3.87Å; F175-L486 HydrophobicContact CE1-CD2 4.39Å; F175-L486 HydrophobicContact CE2-CD2 3.66Å; F175-L486 HydrophobicContact CG-CD2 4.38Å; F175-L486 HydrophobicContact CZ-CD2 3.91Å |
| 176 | F | 94.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.013 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -84.2 | 58.5 | -176.3 | -73.5 | -84.9 | 0 | 0 | 0 | 112.1 | L106 T109 L110 L113 A172 L186 Q189 L190 Y193 | L106-F176 HydrophobicContact CD2-CB 3.93Å; L106-F176 HydrophobicContact CD2-CD1 3.68Å; L106-F176 HydrophobicContact CD2-CG 4.28Å; T109-F176 HydrophobicContact CG2-CD1 4.38Å; T109-F176 HydrophobicContact CG2-CE1 4.39Å; L110-F176 HydrophobicContact CD2-CB 4.25Å; L113-F176 HydrophobicContact CD1-CD2 4.14Å; L113-F176 HydrophobicContact CD1-CE2 3.87Å; L113-F176 HydrophobicContact CD1-CZ 4.45Å; A172-F176 HydrophobicContact CB-CD2 4.21Å; A172-F176 WeakPolarHBondContact O-CB 3.49Å; A172-F176 WeakPolarHBondContact O-CD2 3.34Å; A172-F176 PolarHBondContact O-N 3.01Å; F176-L186 HydrophobicContact CD1-CB 4.11Å; F176-L186 HydrophobicContact CD1-CD2 4.08Å; F176-L186 HydrophobicContact CE1-CB 4.2Å; F176-L186 WeakPolarHBondContact CE1-O 3.43Å; F176-Q189 HydrophobicContact CE2-CG 4.46Å; F176-Q189 HydrophobicContact CZ-CB 4.15Å; F176-Q189 HydrophobicContact CZ-CG 3.99Å; F176-L190 HydrophobicContact CE1-CB 4.24Å; F176-L190 HydrophobicContact CZ-CB 4.45Å; F176-Y193 HydrophobicContact CE2-CD2 4.35Å; F176-Y193 AromaticContact CE2-CE2 3.77Å; F176-Y193 HydrophobicContact CE2-CE2 3.77Å; F176-Y193 HydrophobicContact CZ-CD2 4.35Å; F176-Y193 HydrophobicContact CZ-CE2 4.14Å |
| 177 | L | 94.2 | Very high | 89 | Confident | 97 Ų | 97 | 30.4 Ų | 30.4 | 51% | 0.508 | 15% | 0.154 | S | C | . | . | trans | -89.5 | 142.8 | 175 | -66.3 | 176.5 | 0 | 0 | 0 | 111.6 | T174 F175 N179 L186 | T174-L177 WeakPolarHBondContact O-CD1 3.45Å; T174-L177 WeakPolarHBondContact O-CG 3.5Å; F175-L177 PolarHBondContact O-N 3.29Å; L177-N179 VanDerWaalsContact C-N 3.32Å; L177-N179 PolarHBondContact O-N 3.1Å; L177-L186 WeakPolarHBondContact O-CD1 3.46Å | ||
| 178 | P | 93.9 | Very high | 88.6 | Confident | 48 Ų | 48 | 32.6 Ų | 32.6 | 31% | 0.312 | 16% | 0.164 | S | C | . | . | trans | -71.2 | 84.8 | -177.4 | 29.2 | -35.2 | 0 | 0 | 0 | 111.4 | E99 L102 A103 L106 | E99-P178 HydrophobicContact CG-CB 4.43Å; E99-P178 WeakPolarHBondContact CG-O 3.09Å; L102-P178 HydrophobicContact CG-CB 4.39Å; A103-P178 HydrophobicContact CB-CB 3.73Å; A103-P178 HydrophobicContact CB-CG 3.95Å; L106-P178 VanDerWaalsContact CD1-CA 3.49Å; L106-P178 HydrophobicContact CD1-CB 3.98Å | ||
| 179 | N | 88.9 | Confident | 88.3 | Confident | 45 Ų | 45 | 32 Ų | 32 | 24% | 0.241 | 16% | 0.161 | C | C | . | . | trans | -130.6 | 112.3 | 177.5 | -168 | -44.8 | 0 | 0 | 0 | 110.4 | L177 H181 N182 V183 A482 | L177-N179 VanDerWaalsContact C-N 3.32Å; L177-N179 PolarHBondContact O-N 3.1Å; N179-H181 PolarHBondContact O-N 3.07Å; N179-H181 VanDerWaalsContact O-N 3.1Å; N179-H181 VanDerWaalsContact OD1-CB 3.3Å; N179-H181 WeakPolarHBondContact OD1-CB 3.31Å; N179-H181 PolarHBondContact OD1-N 3.15Å; N179-N182 HydrophobicContact CB-CB 4.41Å; N179-N182 WeakPolarHBondContact O-CA 3.39Å; N179-N182 PolarHBondContact O-N 3.47Å; N179-V183 PolarHBondContact O-N 2.99Å; N179-A482 WeakPolarHBondContact ND2-CB 3.36Å | ||
| 180 | L | 85.3 | Confident | 88.2 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.1 | -177.9 | -66.2 | 178.5 | 0 | 0 | 0 | 113.8 | I58 F69 L95 L98 E99 L102 N182 V183 | I58-L180 HydrophobicContact CG2-CD2 3.53Å; F69-L180 HydrophobicContact CD1-CB 4.5Å; F69-L180 HydrophobicContact CE1-CB 3.76Å; F69-L180 HydrophobicContact CZ-CB 4.12Å; L95-L180 HydrophobicContact CB-CD1 4.2Å; L95-L180 HydrophobicContact CD2-CD1 4.06Å; L95-L180 WeakPolarHBondContact O-CD1 3.24Å; L98-L180 HydrophobicContact CB-CD1 4.21Å; L98-L180 HydrophobicContact CB-CD2 4.19Å; E99-L180 HydrophobicContact CB-CD1 4.25Å; E99-L180 HydrophobicContact CB-CG 4.18Å; E99-L180 HydrophobicContact CG-CG 4.47Å; L102-L180 HydrophobicContact CD2-CD2 4.09Å; L180-N182 PolarHBondContact O-N 3.23Å; L180-V183 WeakPolarHBondContact O-CG1 3.27Å |
| 181 | H | 79.4 | Confident | 88 | Confident | 32 Ų | 32 | 30.3 Ų | 30.3 | 15% | 0.148 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -14.8 | 175.1 | -67.8 | -59.7 | 0 | 0 | 0 | 113.7 | F69 N179 F479 A482 R483 | F69-H181 AromaticContact CD1-ND1 3.62Å; F69-H181 AromaticContact CE1-CE1 3.27Å; F69-H181 WeakPolarHBondContact CE1-CE1 3.26Å; F69-H181 AromaticContact CE1-CG 3.83Å; F69-H181 AromaticContact CE1-ND1 3.16Å; F69-H181 WeakPolarHBondContact CE1-ND1 3.2Å; F69-H181 AromaticContact CE1-NE2 4Å; F69-H181 AromaticContact CZ-CE1 3.69Å; N179-H181 PolarHBondContact O-N 3.07Å; N179-H181 VanDerWaalsContact O-N 3.1Å; N179-H181 VanDerWaalsContact OD1-CB 3.3Å; N179-H181 WeakPolarHBondContact OD1-CB 3.31Å; N179-H181 PolarHBondContact OD1-N 3.15Å; H181-F479 HydrophobicContact CB-CD2 3.97Å; H181-A482 HydrophobicContact CB-CB 3.88Å; H181-R483 PolarHBondContact O-NH2 2.9Å |
| 182 | N | 85.1 | Confident | 87.7 | Confident | 9 Ų | 9 | 30.7 Ų | 30.7 | 5% | 0.048 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -5.2 | -173.7 | -68 | -17.3 | 0 | 0 | 0 | 112.8 | N179 L180 E184 V185 L186 A482 R483 L486 | N179-N182 HydrophobicContact CB-CB 4.41Å; N179-N182 WeakPolarHBondContact O-CA 3.39Å; N179-N182 PolarHBondContact O-N 3.47Å; L180-N182 PolarHBondContact O-N 3.23Å; N182-E184 PolarHBondContact O-N 3.16Å; N182-V185 WeakPolarHBondContact O-CA 3.49Å; N182-V185 VanDerWaalsContact O-CB 3.31Å; N182-V185 WeakPolarHBondContact O-CB 3.4Å; N182-V185 PolarHBondContact O-N 3.13Å; N182-L186 WeakPolarHBondContact O-CG 3.37Å; N182-L186 PolarHBondContact O-N 3.21Å; N182-A482 PolarHBondContact ND2-O 3.23Å; N182-R483 PolarHBondContact OD1-NE 3.47Å; N182-L486 HydrophobicContact CB-CD1 3.71Å; N182-L486 HydrophobicContact CB-CG 4.41Å; N182-L486 VanDerWaalsContact ND2-CD1 3.3Å; N182-L486 WeakPolarHBondContact ND2-CD1 3.28Å; N182-L486 VanDerWaalsContact ND2-CG 3.34Å; N182-L486 WeakPolarHBondContact ND2-CG 3.37Å; N182-L486 WeakPolarHBondContact OD1-CD1 3.03Å |
| 183 | V | 85.5 | Confident | 87.6 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -51.3 | -37.1 | -174.4 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | M55 I58 K59 L102 N179 L180 L186 A187 | M55-V183 HydrophobicContact CB-CG2 3.94Å; M55-V183 VanDerWaalsContact O-CG2 3.27Å; M55-V183 WeakPolarHBondContact O-CG2 3.49Å; I58-V183 HydrophobicContact CG2-CG2 4.34Å; K59-V183 HydrophobicContact CB-CG1 3.65Å; K59-V183 HydrophobicContact CG-CG1 3.82Å; L102-V183 HydrophobicContact CD1-CG2 3.85Å; L102-V183 HydrophobicContact CD2-CB 4.19Å; L102-V183 HydrophobicContact CD2-CG2 4.2Å; N179-V183 PolarHBondContact O-N 2.99Å; L180-V183 WeakPolarHBondContact O-CG1 3.27Å; V183-L186 PolarHBondContact O-N 2.94Å; V183-A187 WeakPolarHBondContact O-CB 3.47Å; V183-A187 PolarHBondContact O-N 3.45Å |
| 184 | E | 82.3 | Confident | 87.3 | Confident | 42 Ų | 42 | 24.2 Ų | 24.2 | 20% | 0.196 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -47.4 | 173.5 | 177.3 | 167.2 | -137.9 | 0 | 0 | 112.1 | K59 N182 L186 A187 F188 L454 | K59-E184 HydrophobicContact CD-CB 4.01Å; K59-E184 WeakPolarHBondContact CE-OE2 3.39Å; K59-E184 IonicContact NZ-OE1 2.65Å; K59-E184 PolarHBondContact NZ-OE1 2.81Å; K59-E184 IonicContact NZ-OE2 2.67Å; K59-E184 PolarHBondContact NZ-OE2 3.13Å; N182-E184 PolarHBondContact O-N 3.16Å; E184-L186 VanDerWaalsContact C-N 3.29Å; E184-L186 PolarHBondContact O-N 3.46Å; E184-A187 PolarHBondContact O-N 3.21Å; E184-F188 HydrophobicContact CG-CD2 3.73Å; E184-F188 HydrophobicContact CG-CE2 3.83Å; E184-F188 VanDerWaalsContact O-CD2 3.28Å; E184-F188 WeakPolarHBondContact O-CD2 3.29Å; E184-F188 PolarHBondContact O-N 3.19Å; E184-L454 HydrophobicContact CG-CB 4.35Å; E184-L454 HydrophobicContact CG-CD1 4.37Å |
| 185 | V | 82.8 | Confident | 87 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 178 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | F175 N182 Q189 V451 L452 R483 L486 | F175-V185 HydrophobicContact CZ-CG1 4.02Å; N182-V185 WeakPolarHBondContact O-CA 3.49Å; N182-V185 VanDerWaalsContact O-CB 3.31Å; N182-V185 WeakPolarHBondContact O-CB 3.4Å; N182-V185 PolarHBondContact O-N 3.13Å; V185-Q189 WeakPolarHBondContact O-CB 3.36Å; V185-Q189 PolarHBondContact O-N 3.42Å; V185-V451 HydrophobicContact CB-CG1 4.43Å; V185-V451 HydrophobicContact CG1-CG1 3.82Å; V185-V451 WeakPolarHBondContact O-CG1 3.39Å; V185-L452 HydrophobicContact CG1-CD2 4.07Å; V185-R483 VanDerWaalsContact CG2-CZ 3.46Å; V185-L486 HydrophobicContact CB-CD1 4.16Å; V185-L486 HydrophobicContact CG1-CD1 3.94Å; V185-L486 HydrophobicContact CG2-CD1 4.27Å |
| 186 | L | 89.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 177.6 | -58.1 | -177.5 | 0 | 0 | 0 | 111.1 | M55 L106 F175 F176 L177 N182 V183 E184 Q189 L190 L486 | M55-L186 HydrophobicContact SD-CB 4.14Å; L106-L186 HydrophobicContact CD1-CD1 3.97Å; L106-L186 HydrophobicContact CD2-CD1 3.93Å; F175-L186 HydrophobicContact CD1-CD2 3.95Å; F175-L186 HydrophobicContact CE1-CD2 3.84Å; F175-L186 VanDerWaalsContact O-CD2 3.3Å; F175-L186 WeakPolarHBondContact O-CD2 3.36Å; F176-L186 HydrophobicContact CD1-CB 4.11Å; F176-L186 HydrophobicContact CD1-CD2 4.08Å; F176-L186 HydrophobicContact CE1-CB 4.2Å; F176-L186 WeakPolarHBondContact CE1-O 3.43Å; L177-L186 WeakPolarHBondContact O-CD1 3.46Å; N182-L186 WeakPolarHBondContact O-CG 3.37Å; N182-L186 PolarHBondContact O-N 3.21Å; V183-L186 PolarHBondContact O-N 2.94Å; E184-L186 VanDerWaalsContact C-N 3.29Å; E184-L186 PolarHBondContact O-N 3.46Å; L186-Q189 PolarHBondContact O-N 3.43Å; L186-L190 PolarHBondContact O-N 2.92Å; L186-L486 HydrophobicContact CD2-CD2 4.34Å |
| 187 | A | 83.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.1 | -50.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y52 M55 M56 V183 E184 Q189 L190 Q191 | Y52-A187 HydrophobicContact CD2-CB 3.73Å; Y52-A187 VanDerWaalsContact CD2-O 3.23Å; Y52-A187 WeakPolarHBondContact CD2-O 3.49Å; Y52-A187 HydrophobicContact CE2-CB 3.84Å; M55-A187 HydrophobicContact CB-CB 3.9Å; M55-A187 HydrophobicContact SD-CB 4.23Å; M56-A187 HydrophobicContact CG-CB 4.21Å; M56-A187 HydrophobicContact SD-CB 3.92Å; V183-A187 WeakPolarHBondContact O-CB 3.47Å; V183-A187 PolarHBondContact O-N 3.45Å; E184-A187 PolarHBondContact O-N 3.21Å; A187-Q189 VanDerWaalsContact C-N 3.28Å; A187-Q189 PolarHBondContact O-N 3.35Å; A187-L190 WeakPolarHBondContact O-CB 3.48Å; A187-L190 PolarHBondContact O-N 3.29Å; A187-L190 VanDerWaalsContact O-N 3.15Å; A187-Q191 PolarHBondContact O-N 3.04Å |
| 188 | F | 82.6 | Confident | 86.1 | Confident | 67 Ų | 67 | 23.4 Ų | 23.4 | 29% | 0.294 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -64.2 | -32.8 | 178.8 | -85.6 | -82.2 | 0 | 0 | 0 | 112.8 | E184 Q191 N192 V451 L454 | E184-F188 HydrophobicContact CG-CD2 3.73Å; E184-F188 HydrophobicContact CG-CE2 3.83Å; E184-F188 VanDerWaalsContact O-CD2 3.28Å; E184-F188 WeakPolarHBondContact O-CD2 3.29Å; E184-F188 PolarHBondContact O-N 3.19Å; F188-Q191 PolarHBondContact O-N 3.47Å; F188-N192 PolarHBondContact O-N 3.3Å; F188-N192 VanDerWaalsContact O-N 3.07Å; F188-N192 PolarHBondContact O-OD1 3.47Å; F188-V451 HydrophobicContact CB-CB 4.43Å; F188-V451 HydrophobicContact CB-CG1 3.55Å; F188-V451 HydrophobicContact CB-CG2 4Å; F188-L454 HydrophobicContact CB-CD1 3.61Å; F188-L454 HydrophobicContact CD1-CD1 4.01Å; F188-L454 HydrophobicContact CD2-CD1 3.26Å; F188-L454 HydrophobicContact CE2-CD1 3.84Å; F188-L454 HydrophobicContact CG-CD1 3.35Å; F188-L454 HydrophobicContact CZ-CD1 4.43Å |
| 189 | Q | 87.1 | Confident | 85.7 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.1 | -41.6 | 173.4 | -175.5 | 61.6 | 42.8 | 0 | 0 | 111.7 | E167 R170 F175 F176 V185 L186 A187 Q191 N192 Y193 V451 | E167-Q189 PolarHBondContact OE1-NE2 3.49Å; R170-Q189 VanDerWaalsContact CZ-OE1 3.22Å; R170-Q189 VanDerWaalsContact NH2-CD 3.33Å; F175-Q189 HydrophobicContact CD1-CG 4.41Å; F175-Q189 HydrophobicContact CE1-CB 3.75Å; F175-Q189 HydrophobicContact CE1-CG 3.82Å; F175-Q189 HydrophobicContact CZ-CB 4.35Å; F175-Q189 HydrophobicContact CZ-CG 4.41Å; F176-Q189 HydrophobicContact CE2-CG 4.46Å; F176-Q189 HydrophobicContact CZ-CB 4.15Å; F176-Q189 HydrophobicContact CZ-CG 3.99Å; V185-Q189 WeakPolarHBondContact O-CB 3.36Å; V185-Q189 PolarHBondContact O-N 3.42Å; L186-Q189 PolarHBondContact O-N 3.43Å; A187-Q189 VanDerWaalsContact C-N 3.28Å; A187-Q189 PolarHBondContact O-N 3.35Å; Q189-Q191 VanDerWaalsContact C-N 3.25Å; Q189-Q191 PolarHBondContact O-N 3Å; Q189-N192 WeakPolarHBondContact O-CB 3.42Å; Q189-N192 PolarHBondContact O-N 3.24Å; Q189-N192 VanDerWaalsContact O-N 3.13Å; Q189-Y193 HydrophobicContact CG-CE1 4.27Å; Q189-Y193 HydrophobicContact CG-CE2 4.29Å; Q189-Y193 PolarHBondContact O-N 3.33Å; Q189-V451 HydrophobicContact CB-CG1 4.39Å |
| 190 | L | 89.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 175.5 | -178.6 | 57.2 | 0 | 0 | 0 | 110.8 | R48 E51 M55 T109 F176 L186 A187 N192 Y193 I194 | R48-L190 HydrophobicContact CB-CD1 4.23Å; R48-L190 HydrophobicContact CG-CD1 4.42Å; E51-L190 HydrophobicContact CB-CD2 3.93Å; M55-L190 HydrophobicContact CE-CD2 4Å; T109-L190 HydrophobicContact CG2-CD1 3.81Å; T109-L190 HydrophobicContact CG2-CD2 4.09Å; F176-L190 HydrophobicContact CE1-CB 4.24Å; F176-L190 HydrophobicContact CZ-CB 4.45Å; L186-L190 PolarHBondContact O-N 2.92Å; A187-L190 WeakPolarHBondContact O-CB 3.48Å; A187-L190 PolarHBondContact O-N 3.29Å; A187-L190 VanDerWaalsContact O-N 3.15Å; L190-N192 PolarHBondContact O-N 3.14Å; L190-Y193 WeakPolarHBondContact O-CB 3.48Å; L190-Y193 PolarHBondContact O-N 3.27Å; L190-Y193 VanDerWaalsContact O-N 3.16Å; L190-I194 HydrophobicContact CG-CD1 4.21Å; L190-I194 VanDerWaalsContact O-CG1 3.31Å; L190-I194 WeakPolarHBondContact O-CG1 3.45Å; L190-I194 PolarHBondContact O-N 2.92Å |
| 191 | Q | 85.2 | Confident | 85.5 | Confident | 43 Ų | 43 | 21 Ų | 21 | 20% | 0.201 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 173.3 | -172.6 | 65.5 | 55.5 | 0 | 0 | 112.2 | Y52 A187 F188 Q189 Y193 I194 D195 | Y52-Q191 HydrophobicContact CD2-CB 4.24Å; Y52-Q191 HydrophobicContact CE2-CB 4.24Å; A187-Q191 PolarHBondContact O-N 3.04Å; F188-Q191 PolarHBondContact O-N 3.47Å; Q189-Q191 VanDerWaalsContact C-N 3.25Å; Q189-Q191 PolarHBondContact O-N 3Å; Q191-Y193 VanDerWaalsContact C-N 3.26Å; Q191-Y193 PolarHBondContact O-N 2.98Å; Q191-I194 PolarHBondContact O-N 2.84Å; Q191-D195 PolarHBondContact NE2-OD1 3.17Å; Q191-D195 WeakPolarHBondContact O-CB 3.41Å; Q191-D195 VanDerWaalsContact O-CG 3.31Å; Q191-D195 PolarHBondContact O-N 3.31Å |
| 192 | N | 83.4 | Confident | 85.5 | Confident | 51 Ų | 51 | 22.7 Ų | 22.7 | 27% | 0.273 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -59.8 | -37.9 | 176.1 | -72.4 | -1.6 | 0 | 0 | 0 | 112.1 | F188 Q189 L190 T196 V451 | F188-N192 PolarHBondContact O-N 3.3Å; F188-N192 VanDerWaalsContact O-N 3.07Å; F188-N192 PolarHBondContact O-OD1 3.47Å; Q189-N192 WeakPolarHBondContact O-CB 3.42Å; Q189-N192 PolarHBondContact O-N 3.24Å; Q189-N192 VanDerWaalsContact O-N 3.13Å; L190-N192 PolarHBondContact O-N 3.14Å; N192-T196 WeakPolarHBondContact O-CB 3.38Å; N192-T196 PolarHBondContact O-N 2.88Å; N192-T196 PolarHBondContact O-OG1 3.33Å; N192-V451 WeakPolarHBondContact ND2-CG2 3.45Å |
| 193 | Y | 91.3 | Very high | 84.9 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 175.5 | -72.7 | -7.4 | 0 | 0 | 0 | 112.4 | L113 E167 F168 R170 F176 Q189 L190 Q191 T196 A197 | L113-Y193 HydrophobicContact CD1-CD2 4.06Å; L113-Y193 HydrophobicContact CD1-CE2 4.08Å; L113-Y193 HydrophobicContact CD2-CD2 3.7Å; L113-Y193 HydrophobicContact CD2-CE2 4.37Å; E167-Y193 HydrophobicContact CG-CD1 4.03Å; E167-Y193 HydrophobicContact CG-CE1 4.04Å; E167-Y193 WeakPolarHBondContact O-CE1 3.33Å; F168-Y193 AromaticContact CD1-CD1 3.72Å; F168-Y193 HydrophobicContact CD1-CD1 3.72Å; F168-Y193 HydrophobicContact CD1-CD2 4.45Å; F168-Y193 HydrophobicContact CD1-CE1 4.03Å; F168-Y193 AromaticContact CD1-CG 3.95Å; F168-Y193 HydrophobicContact CD1-CG 3.95Å; F168-Y193 AromaticContact CE1-CD1 3.72Å; F168-Y193 HydrophobicContact CE1-CD1 3.72Å; F168-Y193 HydrophobicContact CE1-CE1 4.47Å; F168-Y193 AromaticContact CE1-CG 3.8Å; F168-Y193 HydrophobicContact CE1-CG 3.8Å; R170-Y193 WeakPolarHBondContact CB-OH 3.48Å; F176-Y193 HydrophobicContact CE2-CD2 4.35Å; F176-Y193 AromaticContact CE2-CE2 3.77Å; F176-Y193 HydrophobicContact CE2-CE2 3.77Å; F176-Y193 HydrophobicContact CZ-CD2 4.35Å; F176-Y193 HydrophobicContact CZ-CE2 4.14Å; Q189-Y193 HydrophobicContact CG-CE1 4.27Å; Q189-Y193 HydrophobicContact CG-CE2 4.29Å; Q189-Y193 PolarHBondContact O-N 3.33Å; L190-Y193 WeakPolarHBondContact O-CB 3.48Å; L190-Y193 PolarHBondContact O-N 3.27Å; L190-Y193 VanDerWaalsContact O-N 3.16Å; Q191-Y193 VanDerWaalsContact C-N 3.26Å; Q191-Y193 PolarHBondContact O-N 2.98Å; Y193-T196 PolarHBondContact O-N 3.17Å; Y193-A197 WeakPolarHBondContact O-CB 3.31Å; Y193-A197 PolarHBondContact O-N 3.05Å |
| 194 | I | 86.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.1 | -49.8 | 174.9 | -65.6 | 164.2 | 0 | 0 | 0 | 110.4 | K45 R48 E49 L190 Q191 T196 A197 N198 | K45-I194 HydrophobicContact CG-CG2 3.99Å; R48-I194 HydrophobicContact CB-CD1 3.56Å; R48-I194 HydrophobicContact CB-CG1 3.61Å; R48-I194 HydrophobicContact CG-CG1 4.43Å; E49-I194 HydrophobicContact CG-CD1 4.01Å; E49-I194 HydrophobicContact CG-CG2 4.34Å; L190-I194 HydrophobicContact CG-CD1 4.21Å; L190-I194 VanDerWaalsContact O-CG1 3.31Å; L190-I194 WeakPolarHBondContact O-CG1 3.45Å; L190-I194 PolarHBondContact O-N 2.92Å; Q191-I194 PolarHBondContact O-N 2.84Å; I194-T196 PolarHBondContact O-N 3.05Å; I194-A197 PolarHBondContact O-N 3.2Å; I194-N198 VanDerWaalsContact O-CB 3.29Å; I194-N198 WeakPolarHBondContact O-CB 3.34Å; I194-N198 PolarHBondContact O-N 2.86Å |
| 195 | D | 84.1 | Confident | 83.5 | Confident | 76 Ų | 76 | 24.1 Ų | 24.1 | 41% | 0.406 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63.6 | -42.5 | -177 | -70.6 | -10.1 | 0 | 0 | 0 | 111.3 | Q191 N198 R199 | Q191-D195 PolarHBondContact NE2-OD1 3.17Å; Q191-D195 WeakPolarHBondContact O-CB 3.41Å; Q191-D195 VanDerWaalsContact O-CG 3.31Å; Q191-D195 PolarHBondContact O-N 3.31Å; D195-N198 PolarHBondContact O-N 3.28Å; D195-R199 VanDerWaalsContact O-CG 3.31Å; D195-R199 WeakPolarHBondContact O-CG 3.13Å; D195-R199 PolarHBondContact O-N 2.97Å; D195-R199 VanDerWaalsContact O-N 3.11Å |
| 196 | T | 86.2 | Confident | 82.6 | Confident | 13 Ų | 13 | 31 Ų | 31 | 8% | 0.08 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.7 | -42.6 | 179.1 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | L164 E167 F168 N192 Y193 I194 N198 R199 I200 | L164-T196 HydrophobicContact CB-CG2 4.2Å; E167-T196 HydrophobicContact CB-CG2 4.14Å; E167-T196 HydrophobicContact CG-CG2 4.39Å; F168-T196 HydrophobicContact CE2-CG2 3.57Å; F168-T196 HydrophobicContact CZ-CG2 3.81Å; N192-T196 WeakPolarHBondContact O-CB 3.38Å; N192-T196 PolarHBondContact O-N 2.88Å; N192-T196 PolarHBondContact O-OG1 3.33Å; Y193-T196 PolarHBondContact O-N 3.17Å; I194-T196 PolarHBondContact O-N 3.05Å; T196-N198 VanDerWaalsContact C-N 3.32Å; T196-N198 PolarHBondContact O-N 3.22Å; T196-R199 PolarHBondContact O-N 3.45Å; T196-I200 HydrophobicContact CG2-CD1 4.35Å; T196-I200 PolarHBondContact O-N 2.95Å |
| 197 | A | 90.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F41 W44 L116 F168 Y193 I194 R199 I200 C201 | F41-A197 HydrophobicContact CE2-CB 4.01Å; W44-A197 HydrophobicContact CH2-CB 3.96Å; W44-A197 HydrophobicContact CZ3-CB 3.86Å; L116-A197 HydrophobicContact CD1-CB 4.2Å; F168-A197 HydrophobicContact CZ-CB 4.15Å; Y193-A197 WeakPolarHBondContact O-CB 3.31Å; Y193-A197 PolarHBondContact O-N 3.05Å; I194-A197 PolarHBondContact O-N 3.2Å; A197-R199 VanDerWaalsContact C-N 3.32Å; A197-R199 PolarHBondContact O-N 3.06Å; A197-I200 PolarHBondContact O-N 2.96Å; A197-C201 WeakPolarHBondContact O-CB 3.36Å; A197-C201 PolarHBondContact O-N 3.3Å; A197-C201 PolarHBondContact O-SG 3.15Å |
| 198 | N | 86.7 | Confident | 80.2 | Confident | 48 Ų | 48 | 32.6 Ų | 32.6 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 174.9 | -174.2 | 92.9 | 0 | 0 | 0 | 112.1 | F41 K45 I194 D195 T196 C201 V202 | F41-N198 HydrophobicContact CE1-CB 4.27Å; F41-N198 HydrophobicContact CZ-CB 3.82Å; K45-N198 PolarHBondContact NZ-OD1 3.21Å; I194-N198 VanDerWaalsContact O-CB 3.29Å; I194-N198 WeakPolarHBondContact O-CB 3.34Å; I194-N198 PolarHBondContact O-N 2.86Å; D195-N198 PolarHBondContact O-N 3.28Å; T196-N198 VanDerWaalsContact C-N 3.32Å; T196-N198 PolarHBondContact O-N 3.22Å; N198-C201 PolarHBondContact O-N 2.86Å; N198-V202 WeakPolarHBondContact O-CB 3.39Å; N198-V202 VanDerWaalsContact O-CG2 3.24Å; N198-V202 WeakPolarHBondContact O-CG2 3.33Å; N198-V202 PolarHBondContact O-N 3.18Å |
| 199 | R | 83.6 | Confident | 79.4 | Confident | 44 Ų | 44 | 36.7 Ų | 36.7 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -46.2 | 176.6 | -69.9 | 171.8 | 70.5 | -148 | 1.4 | 111.9 | D195 T196 A197 C201 V202 I203 I391 E394 F446 | D195-R199 VanDerWaalsContact O-CG 3.31Å; D195-R199 WeakPolarHBondContact O-CG 3.13Å; D195-R199 PolarHBondContact O-N 2.97Å; D195-R199 VanDerWaalsContact O-N 3.11Å; T196-R199 PolarHBondContact O-N 3.45Å; A197-R199 VanDerWaalsContact C-N 3.32Å; A197-R199 PolarHBondContact O-N 3.06Å; R199-C201 VanDerWaalsContact C-N 3.3Å; R199-C201 PolarHBondContact O-N 3.35Å; R199-V202 PolarHBondContact O-N 3.49Å; R199-I203 WeakPolarHBondContact O-CG1 3.36Å; R199-I203 PolarHBondContact O-N 3.22Å; R199-I391 VanDerWaalsContact NH2-CG1 3.31Å; R199-E394 IonicContact NH2-OE2 2.86Å; R199-E394 PolarHBondContact NH2-OE2 2.94Å; R199-F446 VanDerWaalsContact NH1-CE2 3.26Å; R199-F446 VanDerWaalsContact NH1-CZ 3.26Å |
| 200 | I | 86.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.8 | -49.9 | 173.6 | -75.4 | 168.9 | 0 | 0 | 0 | 110.4 | F119 L120 I161 L164 F168 T196 A197 V202 I203 H204 | F119-I200 HydrophobicContact CE1-CG2 3.65Å; F119-I200 HydrophobicContact CZ-CG2 3.57Å; L120-I200 HydrophobicContact CD2-CD1 4.14Å; I161-I200 HydrophobicContact CD1-CB 4.48Å; I161-I200 HydrophobicContact CD1-CG2 3.55Å; L164-I200 HydrophobicContact CB-CD1 4.05Å; L164-I200 HydrophobicContact CB-CG1 4.02Å; L164-I200 HydrophobicContact CD1-CG1 3.93Å; F168-I200 HydrophobicContact CE2-CD1 3.78Å; T196-I200 HydrophobicContact CG2-CD1 4.35Å; T196-I200 PolarHBondContact O-N 2.95Å; A197-I200 PolarHBondContact O-N 2.96Å; I200-V202 PolarHBondContact O-N 3.12Å; I200-I203 PolarHBondContact O-N 2.77Å; I200-H204 WeakPolarHBondContact O-CB 3.21Å; I200-H204 PolarHBondContact O-N 2.82Å |
| 201 | C | 84.3 | Confident | 77.5 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -37.7 | -179.4 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | Y38 F41 A197 N198 R199 S205 | Y38-C201 HydrophobicContact CD1-CB 4.04Å; Y38-C201 HydrophobicContact CE1-CB 3.9Å; Y38-C201 VanDerWaalsContact CE1-SG 3.55Å; F41-C201 HydrophobicContact CD1-CB 4.05Å; F41-C201 HydrophobicContact CD2-CB 4.4Å; F41-C201 WeakPolarHBondContact CD2-SG 3.36Å; F41-C201 HydrophobicContact CE1-CB 4.09Å; F41-C201 HydrophobicContact CE2-CB 4.43Å; F41-C201 VanDerWaalsContact CE2-SG 3.58Å; F41-C201 HydrophobicContact CG-CB 4.23Å; F41-C201 HydrophobicContact CZ-CB 4.3Å; A197-C201 WeakPolarHBondContact O-CB 3.36Å; A197-C201 PolarHBondContact O-N 3.3Å; A197-C201 PolarHBondContact O-SG 3.15Å; N198-C201 PolarHBondContact O-N 2.86Å; R199-C201 VanDerWaalsContact C-N 3.3Å; R199-C201 PolarHBondContact O-N 3.35Å; C201-S205 WeakPolarHBondContact O-CA 3.33Å; C201-S205 WeakPolarHBondContact O-CB 3.42Å; C201-S205 PolarHBondContact O-N 3.28Å; C201-S205 PolarHBondContact O-OG 3.24Å |
| 202 | V | 80.5 | Confident | 77 | Confident | 67 Ų | 67 | 39.8 Ų | 39.8 | 41% | 0.406 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 176.6 | 167.8 | 0 | 0 | 0 | 0 | 111.8 | N198 R199 I200 S205 | N198-V202 WeakPolarHBondContact O-CB 3.39Å; N198-V202 VanDerWaalsContact O-CG2 3.24Å; N198-V202 WeakPolarHBondContact O-CG2 3.33Å; N198-V202 PolarHBondContact O-N 3.18Å; R199-V202 PolarHBondContact O-N 3.49Å; I200-V202 PolarHBondContact O-N 3.12Å; V202-S205 PolarHBondContact O-OG 2.88Å |
| 203 | I | 72.1 | Confident | 76.1 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.9 | -41.3 | -179.8 | -64.9 | 165.3 | 0 | 0 | 0 | 110.7 | I161 L164 R199 I200 V390 | I161-I203 HydrophobicContact CG2-CB 3.76Å; I161-I203 HydrophobicContact CG2-CD1 4.14Å; I161-I203 HydrophobicContact CG2-CG2 3.39Å; L164-I203 HydrophobicContact CD1-CD1 4.37Å; R199-I203 WeakPolarHBondContact O-CG1 3.36Å; R199-I203 PolarHBondContact O-N 3.22Å; I200-I203 PolarHBondContact O-N 2.77Å; I203-V390 HydrophobicContact CD1-CG1 4.04Å |
| 204 | H | 70.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -95.8 | -19.4 | -170.4 | -169.5 | -62.6 | 0 | 0 | 0 | 114.4 | V34 Y38 V154 S157 I161 I200 Q206 S207 S208 | V34-H204 VanDerWaalsContact CG1-CE1 3.42Å; V34-H204 WeakPolarHBondContact CG1-CE1 3.38Å; Y38-H204 AromaticContact CE2-ND1 3.38Å; Y38-H204 WeakPolarHBondContact CE2-ND1 3.35Å; Y38-H204 AromaticContact CZ-CG 3.94Å; Y38-H204 AromaticContact CZ-ND1 3.49Å; Y38-H204 WeakPolarHBondContact OH-CB 3.29Å; Y38-H204 PolarHBondContact OH-ND1 3.4Å; V154-H204 PolarHBondContact O-NE2 3.36Å; S157-H204 WeakPolarHBondContact OG-CA 3.39Å; S157-H204 PolarHBondContact OG-CD2 2.96Å; S157-H204 VanDerWaalsContact OG-CD2 3.3Å; I161-H204 HydrophobicContact CD1-CB 4.05Å; I200-H204 WeakPolarHBondContact O-CB 3.21Å; I200-H204 PolarHBondContact O-N 2.82Å; H204-Q206 PolarHBondContact O-N 3.1Å; H204-S207 PolarHBondContact O-N 3.19Å; H204-S207 VanDerWaalsContact O-N 3.15Å; H204-S207 PolarHBondContact O-OG 3.44Å; H204-S208 PolarHBondContact CE1-OG 3.27Å; H204-S208 VanDerWaalsContact CE1-OG 3.28Å; H204-S208 PolarHBondContact ND1-OG 3.24Å; H204-S208 PolarHBondContact O-N 3.35Å; H204-S208 PolarHBondContact O-OG 3.32Å |
| 205 | S | 67 | Low | 73.7 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 40% | 0.399 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.8 | -29.4 | 174.7 | 53.4 | 0 | 0 | 0 | 0 | 113 | C201 V202 S207 S208 | C201-S205 WeakPolarHBondContact O-CA 3.33Å; C201-S205 WeakPolarHBondContact O-CB 3.42Å; C201-S205 PolarHBondContact O-N 3.28Å; C201-S205 PolarHBondContact O-OG 3.24Å; V202-S205 PolarHBondContact O-OG 2.88Å; S205-S207 VanDerWaalsContact C-N 3.31Å; S205-S207 PolarHBondContact O-N 3.03Å; S205-S208 PolarHBondContact O-N 3.05Å |
| 206 | Q | 64 | Low | 73 | Confident | 145 Ų | 145 | 51.1 Ų | 51.1 | 68% | 0.678 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30.9 | 178.7 | -63.1 | -176.6 | 7 | 0 | 0 | 113.1 | H204 | H204-Q206 PolarHBondContact O-N 3.1Š|
| 207 | S | 63.8 | Low | 71.9 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -4.3 | 177.5 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | V154 S157 H204 S205 F210 | V154-S207 WeakPolarHBondContact CG2-O 3.49Å; S157-S207 WeakPolarHBondContact CB-OG 3.41Å; S157-S207 PolarHBondContact OG-OG 3.07Å; H204-S207 PolarHBondContact O-N 3.19Å; H204-S207 VanDerWaalsContact O-N 3.15Å; H204-S207 PolarHBondContact O-OG 3.44Å; S205-S207 VanDerWaalsContact C-N 3.31Å; S205-S207 PolarHBondContact O-N 3.03Å; S207-F210 VanDerWaalsContact O-CE1 3.32Å; S207-F210 WeakPolarHBondContact O-CE1 3.36Å |
| 208 | S | 58.7 | Low | 70.8 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | trans | -106.4 | 17.8 | -170.4 | -51.8 | 0 | 0 | 0 | 0 | 114.1 | Y38 H204 S205 F210 | Y38-S208 VanDerWaalsContact CE2-OG 3.31Å; Y38-S208 WeakPolarHBondContact CE2-OG 3.46Å; H204-S208 PolarHBondContact CE1-OG 3.27Å; H204-S208 VanDerWaalsContact CE1-OG 3.28Å; H204-S208 PolarHBondContact ND1-OG 3.24Å; H204-S208 PolarHBondContact O-N 3.35Å; H204-S208 PolarHBondContact O-OG 3.32Å; S205-S208 PolarHBondContact O-N 3.05Å; S208-F210 VanDerWaalsContact C-N 3.27Å; S208-F210 PolarHBondContact O-N 3.19Å | ||
| 209 | N | 66.4 | Low | 70.4 | Confident | 153 Ų | 153 | 64 Ų | 64 | 82% | 0.818 | 33% | 0.334 | S | S | * | . | trans | -86.7 | 59.6 | -175 | -166.9 | 26.5 | 0 | 0 | 0 | 112.5 | ||||
| 210 | F | 67.3 | Low | 70.3 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -139.1 | 155.2 | 177.5 | 53.8 | -94.2 | 0 | 0 | 0 | 111.8 | M31 K35 D150 V154 S207 S208 I212 | M31-F210 HydrophobicContact CB-CZ 4.38Å; M31-F210 HydrophobicContact CE-CD2 4.41Å; M31-F210 HydrophobicContact CE-CE1 4.04Å; M31-F210 HydrophobicContact CE-CE2 3.49Å; M31-F210 VanDerWaalsContact CE-CE2 3.49Å; M31-F210 HydrophobicContact CE-CZ 3.29Å; K35-F210 PolarHBondContact NZ-O 2.98Å; D150-F210 HydrophobicContact CB-CD1 3.99Å; D150-F210 HydrophobicContact CB-CG 4.27Å; V154-F210 HydrophobicContact CG2-CE1 3.34Å; V154-F210 HydrophobicContact CG2-CZ 3.59Å; S207-F210 VanDerWaalsContact O-CE1 3.32Å; S207-F210 WeakPolarHBondContact O-CE1 3.36Å; S208-F210 VanDerWaalsContact C-N 3.27Å; S208-F210 PolarHBondContact O-N 3.19Å; F210-I212 HydrophobicContact CD2-CB 3.79Å; F210-I212 HydrophobicContact CD2-CG2 3.9Å; F210-I212 HydrophobicContact CE2-CB 3.7Å; F210-I212 HydrophobicContact CE2-CD1 4.05Å; F210-I212 HydrophobicContact CE2-CG2 3.47Å; F210-I212 VanDerWaalsContact CE2-CG2 3.47Å; F210-I212 PolarHBondContact O-N 3.19Å |
| 211 | D | 69.1 | Low | 70.2 | Confident | 84 Ų | 84 | 65 Ų | 65 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | trans | -88.6 | 88.3 | -179.2 | -170.1 | 28.1 | 0 | 0 | 0 | 109.9 | K35 K145 M216 | K35-D211 IonicContact NZ-OD1 3.02Å; K145-D211 HydrophobicContact CD-CB 4.29Å; K145-D211 WeakPolarHBondContact CD-OD2 3.48Å; K145-D211 IonicContact NZ-OD2 2.91Å; K145-D211 PolarHBondContact NZ-OD2 3.03Å; D211-M216 VanDerWaalsContact O-CE 3.23Å; D211-M216 WeakPolarHBondContact O-CE 3.4Å | ||
| 212 | I | 74.4 | Confident | 70.2 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | trans | -106.7 | 139.3 | 172.1 | -166.8 | 159.8 | 0 | 0 | 0 | 110.7 | L28 M31 A32 K35 I146 F210 | L28-I212 HydrophobicContact CB-CD1 3.99Å; L28-I212 HydrophobicContact CD2-CD1 4.01Å; L28-I212 HydrophobicContact CG-CD1 4.47Å; L28-I212 VanDerWaalsContact O-CD1 3.32Å; L28-I212 WeakPolarHBondContact O-CD1 3.35Å; M31-I212 HydrophobicContact CB-CD1 3.84Å; M31-I212 HydrophobicContact CE-CD1 4.23Å; A32-I212 HydrophobicContact CB-CG1 4.38Å; A32-I212 HydrophobicContact CB-CG2 4.28Å; K35-I212 HydrophobicContact CB-CG2 4.34Å; K35-I212 HydrophobicContact CD-CG2 3.58Å; I146-I212 HydrophobicContact CD1-CB 4.08Å; I146-I212 HydrophobicContact CD1-CD1 3.67Å; I146-I212 HydrophobicContact CD1-CG1 3.65Å; F210-I212 HydrophobicContact CD2-CB 3.79Å; F210-I212 HydrophobicContact CD2-CG2 3.9Å; F210-I212 HydrophobicContact CE2-CB 3.7Å; F210-I212 HydrophobicContact CE2-CD1 4.05Å; F210-I212 HydrophobicContact CE2-CG2 3.47Å; F210-I212 VanDerWaalsContact CE2-CG2 3.47Å; F210-I212 PolarHBondContact O-N 3.19Å | ||
| 213 | C | 66.2 | Low | 70.4 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 34% | 0.338 | 34% | 0.34 | S | S | . | . | trans | -141.2 | 157.5 | 165.2 | 75.8 | 0 | 0 | 0 | 0 | 109.9 | E215 M216 | C213-E215 PolarHBondContact O-N 3.22Å; C213-E215 VanDerWaalsContact O-N 3.14Å; C213-M216 HydrophobicContact CB-CE 4.27Å; C213-M216 WeakPolarHBondContact O-CB 3.37Å; C213-M216 WeakPolarHBondContact O-CG 3.25Å; C213-M216 PolarHBondContact O-N 2.97Å; C213-M216 VanDerWaalsContact SG-CE 3.57Å | ||
| 214 | M | 61.3 | Low | 70.8 | Confident | 139 Ų | 139 | 62.7 Ų | 62.7 | 69% | 0.685 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -61.1 | -23.8 | -177.2 | -71.6 | -151.9 | -62.3 | 0 | 0 | 114.1 | T29 M216 A217 | T29-M214 HydrophobicContact CG2-SD 4.34Å; M214-M216 PolarHBondContact O-N 2.98Å; M214-A217 PolarHBondContact O-N 3.11Å |
| 215 | E | 65.4 | Low | 71.3 | Confident | 170 Ų | 170 | 67.3 Ų | 67.3 | 79% | 0.794 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -68.3 | -16.9 | -179.2 | -59.4 | 177 | 169.9 | 0 | 0 | 112.7 | C213 A217 | C213-E215 PolarHBondContact O-N 3.22Å; C213-E215 VanDerWaalsContact O-N 3.14Å; E215-A217 PolarHBondContact O-N 3.38Å |
| 216 | M | 68.9 | Low | 72 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 5% | 0.054 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -73.7 | -5.7 | -179.3 | -60.2 | -178.6 | -169.8 | 0 | 0 | 113.8 | P143 K145 I146 D211 C213 M214 E218 E219 | P143-M216 HydrophobicContact CB-CB 4.04Å; P143-M216 HydrophobicContact CB-SD 4.42Å; P143-M216 HydrophobicContact CG-CB 3.79Å; P143-M216 WeakPolarHBondContact CG-O 3.36Å; K145-M216 HydrophobicContact CD-CE 3.66Å; I146-M216 HydrophobicContact CD1-SD 3.98Å; I146-M216 HydrophobicContact CG1-SD 4.47Å; D211-M216 VanDerWaalsContact O-CE 3.23Å; D211-M216 WeakPolarHBondContact O-CE 3.4Å; C213-M216 HydrophobicContact CB-CE 4.27Å; C213-M216 WeakPolarHBondContact O-CB 3.37Å; C213-M216 WeakPolarHBondContact O-CG 3.25Å; C213-M216 PolarHBondContact O-N 2.97Å; C213-M216 VanDerWaalsContact SG-CE 3.57Å; M214-M216 PolarHBondContact O-N 2.98Å; M216-E218 PolarHBondContact O-N 2.91Å; M216-E219 PolarHBondContact O-N 2.89Å |
| 217 | A | 62.7 | Low | 72.9 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -62.1 | -27.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T25 M214 E215 E219 | T25-A217 HydrophobicContact CG2-CB 3.67Å; M214-A217 PolarHBondContact O-N 3.11Å; E215-A217 PolarHBondContact O-N 3.38Å; A217-E219 PolarHBondContact O-N 3.12Å |
| 218 | E | 68 | Low | 74.1 | Confident | 189 Ų | 189 | 67.2 Ų | 67.2 | 88% | 0.883 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -73.7 | -15.7 | 179.9 | -62.2 | -170.6 | 172.3 | 0 | 0 | 113.3 | M216 | M216-E218 PolarHBondContact O-N 2.91Š|
| 219 | E | 77.4 | Confident | 75.3 | Confident | 107 Ų | 107 | 70 Ų | 70 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -87.8 | -9.5 | -178.7 | -61.4 | 179.5 | -163.1 | 0 | 0 | 112.9 | P143 M216 A217 A221 | P143-E219 HydrophobicContact CB-CB 4.2Å; P143-E219 WeakPolarHBondContact CB-OE2 3.44Å; P143-E219 HydrophobicContact CG-CB 4.13Å; M216-E219 PolarHBondContact O-N 2.89Å; A217-E219 PolarHBondContact O-N 3.12Å; E219-A221 PolarHBondContact O-N 2.97Å |
| 220 | I | 82.3 | Confident | 76.3 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 8% | 0.082 | 36% | 0.357 | C | S | . | . | trans | -72.6 | 119.9 | -179.6 | -58.6 | 160.4 | 0 | 0 | 0 | 109.9 | V24 T25 L28 Y141 P143 | V24-I220 HydrophobicContact CB-CD1 4.48Å; V24-I220 HydrophobicContact CB-CG2 4.39Å; V24-I220 HydrophobicContact CG1-CD1 3.83Å; V24-I220 HydrophobicContact CG1-CG1 4.22Å; V24-I220 HydrophobicContact CG1-CG2 4.02Å; T25-I220 VanDerWaalsContact OG1-CD1 3.28Å; T25-I220 WeakPolarHBondContact OG1-CD1 3.32Å; L28-I220 HydrophobicContact CD1-CD1 4.03Å; L28-I220 HydrophobicContact CD1-CG1 4.39Å; Y141-I220 WeakPolarHBondContact O-CA 3.43Å; P143-I220 HydrophobicContact CG-CG1 4.5Å | ||
| 221 | A | 83.3 | Confident | 77.2 | Confident | 48 Ų | 48 | 68.9 Ų | 68.9 | 40% | 0.397 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y141 E219 | Y141-A221 HydrophobicContact CD2-CB 4.22Å; Y141-A221 PolarHBondContact N-O 3.29Å; Y141-A221 PolarHBondContact O-N 3.24Å; E219-A221 PolarHBondContact O-N 2.97Å |
| 222 | V | 84.9 | Confident | 78.1 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 112.1 | 175 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | Q17 L20 C21 I139 | Q17-V222 HydrophobicContact CB-CB 4.37Å; Q17-V222 HydrophobicContact CB-CG1 4.49Å; Q17-V222 HydrophobicContact CG-CB 4Å; Q17-V222 HydrophobicContact CG-CG1 3.91Å; Q17-V222 PolarHBondContact NE2-O 3.47Å; L20-V222 HydrophobicContact CB-CG2 4.19Å; L20-V222 HydrophobicContact CD2-CG1 3.93Å; L20-V222 HydrophobicContact CD2-CG2 3.94Å; L20-V222 HydrophobicContact CG-CG2 4.03Å; C21-V222 WeakPolarHBondContact SG-CG2 3.32Å; I139-V222 HydrophobicContact CG2-CG1 3.96Å; I139-V222 CarbonylContact O-C 3.55Å; I139-V222 WeakPolarHBondContact O-CA 3.41Å |
| 223 | N | 84.9 | Confident | 78.9 | Confident | 40 Ų | 40 | 66.8 Ų | 66.8 | 21% | 0.214 | 35% | 0.354 | C | S | . | . | trans | -87.5 | 127.3 | 170.7 | -179.1 | 8.5 | 0 | 0 | 0 | 110.5 | I139 Y141 D225 | I139-N223 WeakPolarHBondContact CA-O 3.24Å; I139-N223 WeakPolarHBondContact CG2-O 3.17Å; I139-N223 PolarHBondContact O-N 2.97Å; Y141-N223 HydrophobicContact CE2-CB 3.68Å; N223-D225 WeakPolarHBondContact OD1-CB 3.49Å; N223-D225 PolarHBondContact OD1-N 2.8Å; N223-D225 PolarHBondContact OD1-OD2 3Å | ||
| 224 | S | 81.5 | Confident | 79.9 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.007 | 36% | 0.36 | C | S | . | . | trans | -135.9 | 16.1 | -178.2 | 40.5 | 0 | 0 | 0 | 0 | 111.3 | R13 D226 L227 | R13-S224 WeakPolarHBondContact CG-OG 3.48Å; R13-S224 PolarHBondContact NE-OG 3.23Å; S224-D226 VanDerWaalsContact C-N 3.26Å; S224-D226 PolarHBondContact O-N 3.48Å; S224-L227 PolarHBondContact O-N 3.16Å | ||
| 225 | D | 80.6 | Confident | 81.3 | Confident | 97 Ų | 97 | 63 Ų | 63 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -34.6 | -176.9 | -77.1 | -45.5 | 0 | 0 | 0 | 112.5 | R13 N223 | R13-D225 IonicContact CZ-OD1 2.68Å; R13-D225 IonicContact NH1-OD1 3.91Å; R13-D225 PolarHBondContact NH1-OD1 3.48Å; R13-D225 VanDerWaalsContact NH2-CG 3.26Å; R13-D225 IonicContact NH2-OD1 3.77Å; R13-D225 PolarHBondContact NH2-OD1 3.43Å; R13-D225 IonicContact NH2-OD2 2.71Å; R13-D225 PolarHBondContact NH2-OD2 2.67Å; N223-D225 WeakPolarHBondContact OD1-CB 3.49Å; N223-D225 PolarHBondContact OD1-N 2.8Å; N223-D225 PolarHBondContact OD1-OD2 3Å |
| 226 | D | 80.9 | Confident | 82.6 | Confident | 138 Ų | 138 | 54.9 Ų | 54.9 | 74% | 0.738 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 5.1 | -176.3 | -60.6 | -44.7 | 0 | 0 | 0 | 114 | S224 | S224-D226 VanDerWaalsContact C-N 3.26Å; S224-D226 PolarHBondContact O-N 3.48Å |
| 227 | L | 83.7 | Confident | 83.6 | Confident | 24 Ų | 24 | 58 Ų | 58 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | trans | -95.6 | 138.5 | -177 | -63.8 | 176.2 | 0 | 0 | 0 | 112.7 | L16 I139 S224 M232 M235 L520 | L16-L227 HydrophobicContact CD2-CD1 3.65Å; I139-L227 HydrophobicContact CD1-CD1 3.99Å; I139-L227 HydrophobicContact CD1-CD2 4.17Å; I139-L227 HydrophobicContact CG1-CD1 4.44Å; S224-L227 PolarHBondContact O-N 3.16Å; L227-M232 HydrophobicContact CB-CG 3.69Å; L227-M232 HydrophobicContact CB-SD 4.47Å; L227-M232 HydrophobicContact CD1-CG 4.18Å; L227-M235 HydrophobicContact CD1-SD 3.87Å; L227-M235 HydrophobicContact CD2-SD 4.37Å; L227-L520 HydrophobicContact CD2-CD2 4.43Å | ||
| 228 | C | 87.3 | Confident | 84.9 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 40% | 0.399 | 30% | 0.298 | S | S | . | . | trans | -78.4 | 160.9 | 172 | 87.2 | 0 | 0 | 0 | 0 | 112.1 | N230 D231 M232 | C228-N230 VanDerWaalsContact C-N 3.27Å; C228-N230 PolarHBondContact O-N 2.77Å; C228-D231 PolarHBondContact O-N 2.9Å; C228-D231 VanDerWaalsContact O-N 3.17Å; C228-D231 PolarHBondContact SG-N 3.33Å; C228-D231 VanDerWaalsContact SG-N 3.41Å; C228-D231 PolarHBondContact SG-OD2 3.28Å; C228-M232 WeakPolarHBondContact O-CG 3.43Å; C228-M232 PolarHBondContact O-N 3.32Å | ||
| 229 | E | 85.7 | Confident | 86 | Confident | 71 Ų | 71 | 48.2 Ų | 48.2 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54 | -43.1 | 179.5 | 179.1 | 173.6 | 155.8 | 0 | 0 | 112.7 | H8 Y12 M232 Q233 | H8-E229 IonicContact CE1-OE1 3.49Å; H8-E229 PolarHBondContact CE1-OE1 3.11Å; H8-E229 IonicContact ND1-OE1 3.36Å; H8-E229 PolarHBondContact ND1-OE1 3.22Å; H8-E229 IonicContact ND1-OE2 3.96Å; Y12-E229 HydrophobicContact CD1-CG 4.19Å; Y12-E229 HydrophobicContact CD2-CG 3.54Å; Y12-E229 HydrophobicContact CE1-CG 4.13Å; Y12-E229 HydrophobicContact CE2-CG 3.47Å; Y12-E229 VanDerWaalsContact CE2-CG 3.47Å; Y12-E229 WeakPolarHBondContact CE2-OE1 3.36Å; Y12-E229 HydrophobicContact CG-CG 3.88Å; Y12-E229 PolarHBondContact OH-OE1 3.13Å; E229-M232 PolarHBondContact O-N 3.46Å; E229-Q233 WeakPolarHBondContact O-CB 3.27Å; E229-Q233 PolarHBondContact O-N 3.26Å |
| 230 | N | 86.8 | Confident | 86.7 | Confident | 93 Ų | 93 | 47.8 Ų | 47.8 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | -178.9 | -175.3 | 54.1 | 0 | 0 | 0 | 112.1 | C228 Q233 K234 | C228-N230 VanDerWaalsContact C-N 3.27Å; C228-N230 PolarHBondContact O-N 2.77Å; N230-Q233 PolarHBondContact O-N 3.46Å; N230-K234 WeakPolarHBondContact ND2-CE 3.39Å; N230-K234 PolarHBondContact ND2-NZ 2.97Å; N230-K234 WeakPolarHBondContact O-CG 3.4Å; N230-K234 PolarHBondContact O-N 3.26Å |
| 231 | D | 87 | Confident | 87.1 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 31% | 0.305 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.8 | -43.6 | 178.5 | -61.6 | -26.7 | 0 | 0 | 0 | 110.5 | C228 Q233 K234 M235 | C228-D231 PolarHBondContact O-N 2.9Å; C228-D231 VanDerWaalsContact O-N 3.17Å; C228-D231 PolarHBondContact SG-N 3.33Å; C228-D231 VanDerWaalsContact SG-N 3.41Å; C228-D231 PolarHBondContact SG-OD2 3.28Å; D231-Q233 VanDerWaalsContact C-N 3.26Å; D231-Q233 PolarHBondContact O-N 3.34Å; D231-K234 PolarHBondContact O-N 3.45Å; D231-M235 WeakPolarHBondContact O-CB 3.42Å; D231-M235 VanDerWaalsContact O-CG 3.23Å; D231-M235 WeakPolarHBondContact O-CG 3.36Å; D231-M235 PolarHBondContact O-N 3.3Å |
| 232 | M | 88.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.4 | -40.8 | 174.6 | -70.1 | -169.4 | -81.6 | 0 | 0 | 112.4 | F9 R13 L16 L227 C228 E229 T236 | F9-M232 HydrophobicContact CD2-CE 3.95Å; F9-M232 HydrophobicContact CE1-CE 4.37Å; F9-M232 HydrophobicContact CE2-CE 3.39Å; F9-M232 HydrophobicContact CZ-CE 3.64Å; R13-M232 VanDerWaalsContact CA-SD 3.58Å; R13-M232 HydrophobicContact CB-SD 4Å; R13-M232 HydrophobicContact CG-SD 4.35Å; L16-M232 HydrophobicContact CB-CB 4.45Å; L16-M232 HydrophobicContact CD2-CB 4.11Å; L16-M232 HydrophobicContact CD2-CG 3.79Å; L227-M232 HydrophobicContact CB-CG 3.69Å; L227-M232 HydrophobicContact CB-SD 4.47Å; L227-M232 HydrophobicContact CD1-CG 4.18Å; C228-M232 WeakPolarHBondContact O-CG 3.43Å; C228-M232 PolarHBondContact O-N 3.32Å; E229-M232 PolarHBondContact O-N 3.46Å; M232-T236 VanDerWaalsContact O-CB 3.32Å; M232-T236 WeakPolarHBondContact O-CB 3.44Å; M232-T236 PolarHBondContact O-N 3.39Å; M232-T236 PolarHBondContact O-OG1 3.47Å |
| 233 | Q | 89.4 | Confident | 87.8 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.2 | -47.1 | 177.6 | -174.7 | 55.9 | 48.4 | 0 | 0 | 111.6 | Y12 E229 N230 D231 M235 T236 D237 | Y12-Q233 HydrophobicContact CD1-CB 4.06Å; Y12-Q233 HydrophobicContact CE1-CB 4.11Å; Y12-Q233 HydrophobicContact CE1-CG 4.2Å; E229-Q233 WeakPolarHBondContact O-CB 3.27Å; E229-Q233 PolarHBondContact O-N 3.26Å; N230-Q233 PolarHBondContact O-N 3.46Å; D231-Q233 VanDerWaalsContact C-N 3.26Å; D231-Q233 PolarHBondContact O-N 3.34Å; Q233-M235 PolarHBondContact O-N 3Å; Q233-T236 WeakPolarHBondContact O-CB 3.2Å; Q233-T236 PolarHBondContact O-N 3.38Å; Q233-D237 PolarHBondContact NE2-OD1 3.43Å; Q233-D237 PolarHBondContact NE2-OD2 3.24Å; Q233-D237 PolarHBondContact O-N 2.86Å |
| 234 | K | 89 | Confident | 88.1 | Confident | 105 Ų | 105 | 55.2 Ų | 55.2 | 46% | 0.457 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 176.1 | -74.7 | 173.4 | -179.1 | 176.3 | 0 | 112.4 | N230 D231 T236 D237 Q238 | N230-K234 WeakPolarHBondContact ND2-CE 3.39Å; N230-K234 PolarHBondContact ND2-NZ 2.97Å; N230-K234 WeakPolarHBondContact O-CG 3.4Å; N230-K234 PolarHBondContact O-N 3.26Å; D231-K234 PolarHBondContact O-N 3.45Å; K234-T236 VanDerWaalsContact C-N 3.33Å; K234-T236 PolarHBondContact O-N 3Å; K234-D237 PolarHBondContact O-N 2.92Å; K234-Q238 WeakPolarHBondContact O-CB 3.32Å; K234-Q238 PolarHBondContact O-N 2.68Å |
| 235 | M | 89.8 | Confident | 88.4 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 178 | -66.8 | 178.4 | 86.3 | 0 | 0 | 111 | L16 I139 L227 D231 Q233 D237 Q238 I239 F519 L520 | L16-M235 HydrophobicContact CD1-CB 3.69Å; L16-M235 HydrophobicContact CD2-SD 4.43Å; I139-M235 HydrophobicContact CD1-CE 3.41Å; I139-M235 VanDerWaalsContact CD1-CE 3.41Å; I139-M235 HydrophobicContact CD1-SD 4.15Å; L227-M235 HydrophobicContact CD1-SD 3.87Å; L227-M235 HydrophobicContact CD2-SD 4.37Å; D231-M235 WeakPolarHBondContact O-CB 3.42Å; D231-M235 VanDerWaalsContact O-CG 3.23Å; D231-M235 WeakPolarHBondContact O-CG 3.36Å; D231-M235 PolarHBondContact O-N 3.3Å; Q233-M235 PolarHBondContact O-N 3Å; M235-D237 VanDerWaalsContact C-N 3.34Å; M235-D237 PolarHBondContact O-N 3.25Å; M235-Q238 PolarHBondContact O-N 2.87Å; M235-I239 WeakPolarHBondContact O-CG1 3.16Å; M235-I239 PolarHBondContact O-N 3.17Å; M235-F519 HydrophobicContact CB-CE2 4.46Å; M235-F519 HydrophobicContact CE-CD1 3.64Å; M235-F519 HydrophobicContact CE-CD2 4.32Å; M235-F519 HydrophobicContact CE-CE1 3.14Å; M235-F519 HydrophobicContact CE-CE2 3.87Å; M235-F519 HydrophobicContact CE-CG 4.21Å; M235-F519 HydrophobicContact CE-CZ 3.26Å; M235-L520 HydrophobicContact CE-CD2 3.71Å; M235-L520 HydrophobicContact CE-CG 4.15Å; M235-L520 HydrophobicContact SD-CD2 3.71Å |
| 236 | T | 91.5 | Very high | 89 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.3 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | R15 L16 T19 M232 Q233 K234 I239 K240 | R15-T236 HydrophobicContact CB-CG2 4.46Å; L16-T236 WeakPolarHBondContact CA-OG1 3.32Å; T19-T236 HydrophobicContact CG2-CG2 4.49Å; M232-T236 VanDerWaalsContact O-CB 3.32Å; M232-T236 WeakPolarHBondContact O-CB 3.44Å; M232-T236 PolarHBondContact O-N 3.39Å; M232-T236 PolarHBondContact O-OG1 3.47Å; Q233-T236 WeakPolarHBondContact O-CB 3.2Å; Q233-T236 PolarHBondContact O-N 3.38Å; K234-T236 VanDerWaalsContact C-N 3.33Å; K234-T236 PolarHBondContact O-N 3Å; T236-I239 PolarHBondContact O-N 3.44Å; T236-K240 HydrophobicContact CG2-CD 4.41Å; T236-K240 WeakPolarHBondContact O-CG 3.43Å; T236-K240 PolarHBondContact O-N 2.71Å |
| 237 | D | 90.6 | Very high | 89.6 | Confident | 76 Ų | 76 | 48.2 Ų | 48.2 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.2 | -36.4 | -179.9 | -66.8 | -26.5 | 0 | 0 | 0 | 111.8 | Q233 K234 M235 K240 L241 | Q233-D237 PolarHBondContact NE2-OD1 3.43Å; Q233-D237 PolarHBondContact NE2-OD2 3.24Å; Q233-D237 PolarHBondContact O-N 2.86Å; K234-D237 PolarHBondContact O-N 2.92Å; M235-D237 VanDerWaalsContact C-N 3.34Å; M235-D237 PolarHBondContact O-N 3.25Å; D237-K240 PolarHBondContact O-N 3.44Å; D237-L241 WeakPolarHBondContact O-CB 3.45Å; D237-L241 PolarHBondContact O-N 3.33Å |
| 238 | Q | 89.6 | Confident | 90 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 173.1 | -176.7 | 174.7 | -3.2 | 0 | 0 | 111.8 | K234 M235 K240 L241 L242 M517 A518 | K234-Q238 WeakPolarHBondContact O-CB 3.32Å; K234-Q238 PolarHBondContact O-N 2.68Å; M235-Q238 PolarHBondContact O-N 2.87Å; Q238-K240 VanDerWaalsContact C-N 3.33Å; Q238-K240 PolarHBondContact O-N 2.99Å; Q238-L241 WeakPolarHBondContact O-CB 3.49Å; Q238-L241 PolarHBondContact O-N 2.74Å; Q238-L241 VanDerWaalsContact O-N 3.16Å; Q238-L242 HydrophobicContact CG-CD1 4.32Å; Q238-L242 WeakPolarHBondContact O-CG 3.32Å; Q238-L242 PolarHBondContact O-N 3.36Å; Q238-M517 HydrophobicContact CG-CE 3.92Å; Q238-M517 PolarHBondContact NE2-O 3.21Å; Q238-A518 PolarHBondContact NE2-O 3.29Å |
| 239 | I | 91.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 177.1 | -64.8 | -62 | 0 | 0 | 0 | 111.1 | T19 L20 Y23 V133 M235 T236 L241 L242 D243 F519 | T19-I239 HydrophobicContact CG2-CB 3.98Å; T19-I239 HydrophobicContact CG2-CG2 3.64Å; L20-I239 HydrophobicContact CD1-CD1 3.65Å; L20-I239 HydrophobicContact CD1-CG1 3.94Å; Y23-I239 HydrophobicContact CD1-CD1 4.27Å; Y23-I239 HydrophobicContact CD2-CG2 3.94Å; Y23-I239 HydrophobicContact CG-CD1 4.46Å; Y23-I239 HydrophobicContact CG-CG2 3.79Å; V133-I239 HydrophobicContact CG1-CD1 4.27Å; V133-I239 HydrophobicContact CG2-CD1 3.72Å; M235-I239 WeakPolarHBondContact O-CG1 3.16Å; M235-I239 PolarHBondContact O-N 3.17Å; T236-I239 PolarHBondContact O-N 3.44Å; I239-L241 VanDerWaalsContact C-N 3.28Å; I239-L241 PolarHBondContact O-N 3.41Å; I239-L242 HydrophobicContact CD1-CD1 4.19Å; I239-L242 PolarHBondContact O-N 2.79Å; I239-D243 WeakPolarHBondContact O-CB 3.22Å; I239-D243 PolarHBondContact O-N 3.36Å; I239-F519 HydrophobicContact CD1-CD2 4.23Å; I239-F519 HydrophobicContact CD1-CE2 3.41Å; I239-F519 VanDerWaalsContact CD1-CE2 3.41Å; I239-F519 HydrophobicContact CD1-CZ 3.97Å; I239-F519 HydrophobicContact CG1-CE2 3.76Å; I239-F519 HydrophobicContact CG1-CZ 4.23Å |
| 240 | K | 91.9 | Very high | 90.6 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 175 | -74.3 | 173.5 | -175.9 | 167.4 | 0 | 112.6 | T19 T236 D237 Q238 K244 | T19-K240 HydrophobicContact CG2-CG 4.01Å; T236-K240 HydrophobicContact CG2-CD 4.41Å; T236-K240 WeakPolarHBondContact O-CG 3.43Å; T236-K240 PolarHBondContact O-N 2.71Å; D237-K240 PolarHBondContact O-N 3.44Å; Q238-K240 VanDerWaalsContact C-N 3.33Å; Q238-K240 PolarHBondContact O-N 2.99Å; K240-K244 VanDerWaalsContact O-CB 3.3Å; K240-K244 WeakPolarHBondContact O-CB 3.41Å; K240-K244 PolarHBondContact O-N 3.16Å |
| 241 | L | 89.8 | Confident | 90.7 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.8 | -45.8 | 174.9 | 179.4 | 61.8 | 0 | 0 | 0 | 110.8 | D237 Q238 I239 D243 K244 I245 I514 | D237-L241 WeakPolarHBondContact O-CB 3.45Å; D237-L241 PolarHBondContact O-N 3.33Å; Q238-L241 WeakPolarHBondContact O-CB 3.49Å; Q238-L241 PolarHBondContact O-N 2.74Å; Q238-L241 VanDerWaalsContact O-N 3.16Å; I239-L241 VanDerWaalsContact C-N 3.28Å; I239-L241 PolarHBondContact O-N 3.41Å; L241-D243 PolarHBondContact O-N 3.37Å; L241-K244 PolarHBondContact O-N 3.35Å; L241-I245 HydrophobicContact CD1-CD1 4.19Å; L241-I245 HydrophobicContact CD1-CG1 4.46Å; L241-I245 HydrophobicContact CG-CD1 4.03Å; L241-I245 VanDerWaalsContact O-CG1 3.28Å; L241-I245 WeakPolarHBondContact O-CG1 3.3Å; L241-I245 PolarHBondContact O-N 2.88Å; L241-I514 HydrophobicContact CD2-CD1 4.16Å; L241-I514 HydrophobicContact CD2-CG1 4.31Å; L241-I514 HydrophobicContact CD2-CG2 3.87Å; L241-I514 HydrophobicContact CG-CG2 4.16Å |
| 242 | L | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.9 | -70.5 | 174.6 | 0 | 0 | 0 | 112.3 | Y23 V133 Q238 I239 I245 R246 I514 L515 | Y23-L242 HydrophobicContact CE2-CB 3.75Å; V133-L242 HydrophobicContact CG2-CD1 3.76Å; Q238-L242 HydrophobicContact CG-CD1 4.32Å; Q238-L242 WeakPolarHBondContact O-CG 3.32Å; Q238-L242 PolarHBondContact O-N 3.36Å; I239-L242 HydrophobicContact CD1-CD1 4.19Å; I239-L242 PolarHBondContact O-N 2.79Å; L242-I245 PolarHBondContact O-N 2.89Å; L242-R246 WeakPolarHBondContact O-CB 3.47Å; L242-R246 PolarHBondContact O-N 2.87Å; L242-I514 HydrophobicContact CD2-CG2 4.01Å; L242-L515 HydrophobicContact CD2-CD2 3.79Å |
| 243 | D | 92.4 | Very high | 91.3 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 175.6 | -176.5 | 57.1 | 0 | 0 | 0 | 111.3 | Y23 I239 L241 I245 R246 M247 | Y23-D243 HydrophobicContact CD2-CB 4.18Å; I239-D243 WeakPolarHBondContact O-CB 3.22Å; I239-D243 PolarHBondContact O-N 3.36Å; L241-D243 PolarHBondContact O-N 3.37Å; D243-I245 VanDerWaalsContact C-N 3.32Å; D243-I245 PolarHBondContact O-N 3.31Å; D243-R246 WeakPolarHBondContact O-CB 3.4Å; D243-R246 PolarHBondContact O-N 3.26Å; D243-M247 VanDerWaalsContact O-CG 3.31Å; D243-M247 WeakPolarHBondContact O-CG 3.25Å; D243-M247 PolarHBondContact O-N 3.19Å |
| 244 | K | 91.1 | Very high | 91.3 | Very high | 144 Ų | 144 | 45.2 Ų | 45.2 | 63% | 0.626 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -58.7 | -43.8 | 175.5 | -175.7 | -176.8 | 176.8 | -171 | 0 | 112.1 | K240 L241 M247 D248 | K240-K244 VanDerWaalsContact O-CB 3.3Å; K240-K244 WeakPolarHBondContact O-CB 3.41Å; K240-K244 PolarHBondContact O-N 3.16Å; L241-K244 PolarHBondContact O-N 3.35Å; K244-M247 PolarHBondContact O-N 3.47Å; K244-D248 WeakPolarHBondContact O-CB 3.49Å; K244-D248 PolarHBondContact O-N 2.94Å |
| 245 | I | 88.7 | Confident | 91.4 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 176.9 | -72.6 | 169.5 | 0 | 0 | 0 | 110.4 | L241 L242 D243 M247 D248 F251 I514 L515 | L241-I245 HydrophobicContact CD1-CD1 4.19Å; L241-I245 HydrophobicContact CD1-CG1 4.46Å; L241-I245 HydrophobicContact CG-CD1 4.03Å; L241-I245 VanDerWaalsContact O-CG1 3.28Å; L241-I245 WeakPolarHBondContact O-CG1 3.3Å; L241-I245 PolarHBondContact O-N 2.88Å; L242-I245 PolarHBondContact O-N 2.89Å; D243-I245 VanDerWaalsContact C-N 3.32Å; D243-I245 PolarHBondContact O-N 3.31Å; I245-M247 PolarHBondContact O-N 3.41Å; I245-D248 PolarHBondContact O-N 3.43Å; I245-D248 VanDerWaalsContact O-N 3.16Å; I245-F251 HydrophobicContact CB-CD1 4.47Å; I245-F251 HydrophobicContact CG2-CD1 3.26Å; I245-F251 HydrophobicContact CG2-CE1 3.2Å; I245-F251 HydrophobicContact CG2-CG 3.96Å; I245-F251 HydrophobicContact CG2-CZ 3.92Å; I245-F251 WeakPolarHBondContact O-CD1 3.03Å; I245-I514 HydrophobicContact CD1-CB 4.1Å; I245-I514 HydrophobicContact CD1-CD1 3.98Å; I245-I514 HydrophobicContact CD1-CG2 3.48Å; I245-I514 VanDerWaalsContact CD1-CG2 3.48Å; I245-L515 HydrophobicContact CG2-CD2 4.48Å |
| 246 | R | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -37 | 178.7 | 179.5 | -169 | -74.7 | 177.1 | -12 | 112.7 | Y23 T27 K125 V128 T129 L242 D243 R252 | Y23-R246 VanDerWaalsContact CE1-NH2 3.33Å; Y23-R246 VanDerWaalsContact CE2-NH2 3.33Å; Y23-R246 VanDerWaalsContact CZ-CZ 3.46Å; Y23-R246 PolarHBondContact O-NH1 3.4Å; Y23-R246 VanDerWaalsContact O-NH1 3.08Å; Y23-R246 PolarHBondContact OH-NH2 3.19Å; T27-R246 PolarHBondContact OG1-NH2 3.44Å; K125-R246 HydrophobicContact CB-CG 4.13Å; K125-R246 HydrophobicContact CG-CG 4.34Å; V128-R246 HydrophobicContact CG2-CB 4.21Å; V128-R246 HydrophobicContact CG2-CG 4.14Å; T129-R246 PolarHBondContact OG1-NE 3.41Å; T129-R246 VanDerWaalsContact OG1-NE 3.11Å; T129-R246 PolarHBondContact OG1-NH2 3Å; L242-R246 WeakPolarHBondContact O-CB 3.47Å; L242-R246 PolarHBondContact O-N 2.87Å; D243-R246 WeakPolarHBondContact O-CB 3.4Å; D243-R246 PolarHBondContact O-N 3.26Å; R246-R252 WeakPolarHBondContact O-CD 3.45Å |
| 247 | M | 93.6 | Very high | 91.4 | Very high | 83 Ų | 83 | 41.6 Ų | 41.6 | 41% | 0.409 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -5.3 | -178.6 | -60.1 | -61.8 | 173.4 | 0 | 0 | 113.8 | Y30 D243 K244 I245 E249 | Y30-M247 WeakPolarHBondContact OH-CE 3.46Å; D243-M247 VanDerWaalsContact O-CG 3.31Å; D243-M247 WeakPolarHBondContact O-CG 3.25Å; D243-M247 PolarHBondContact O-N 3.19Å; K244-M247 PolarHBondContact O-N 3.47Å; I245-M247 PolarHBondContact O-N 3.41Å; M247-E249 PolarHBondContact O-N 2.91Å |
| 248 | D | 92.2 | Very high | 91.1 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | trans | -81.8 | 108.1 | 179.6 | -171.3 | -34.1 | 0 | 0 | 0 | 110 | K244 I245 D250 F251 R252 | K244-D248 WeakPolarHBondContact O-CB 3.49Å; K244-D248 PolarHBondContact O-N 2.94Å; I245-D248 PolarHBondContact O-N 3.43Å; I245-D248 VanDerWaalsContact O-N 3.16Å; D248-D250 VanDerWaalsContact C-N 3.31Å; D248-D250 PolarHBondContact O-N 2.83Å; D248-D250 WeakPolarHBondContact OD1-CB 3.21Å; D248-D250 PolarHBondContact OD1-N 3.01Å; D248-F251 HydrophobicContact CB-CB 3.77Å; D248-F251 WeakPolarHBondContact O-CB 3.44Å; D248-F251 PolarHBondContact O-N 3.32Å; D248-F251 PolarHBondContact OD1-N 3.25Å; D248-R252 WeakPolarHBondContact O-CG 3.33Å; D248-R252 PolarHBondContact O-N 3.01Å | ||
| 249 | E | 93 | Very high | 90.6 | Very high | 139 Ų | 139 | 44.6 Ų | 44.6 | 65% | 0.65 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61.3 | -37.4 | 179.8 | -79.3 | 176.2 | -162.1 | 0 | 0 | 112.9 | M247 F251 R252 M253 | M247-E249 PolarHBondContact O-N 2.91Å; E249-F251 VanDerWaalsContact C-N 3.32Å; E249-R252 VanDerWaalsContact CG-NH2 3.3Å; E249-R252 PolarHBondContact O-N 3.41Å; E249-M253 PolarHBondContact O-N 3.37Å |
| 250 | D | 92.3 | Very high | 90.2 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 19% | 0.193 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.7 | -37 | 179.1 | -64.4 | -35 | 0 | 0 | 0 | 111 | D248 M253 E254 S500 Q503 | D248-D250 VanDerWaalsContact C-N 3.31Å; D248-D250 PolarHBondContact O-N 2.83Å; D248-D250 WeakPolarHBondContact OD1-CB 3.21Å; D248-D250 PolarHBondContact OD1-N 3.01Å; D250-M253 PolarHBondContact O-N 2.92Å; D250-E254 PolarHBondContact O-N 3.48Å; D250-S500 WeakPolarHBondContact CA-OG 3.32Å; D250-S500 WeakPolarHBondContact CB-O 3.45Å; D250-S500 WeakPolarHBondContact OD1-CA 3.33Å; D250-S500 VanDerWaalsContact OD1-CB 3.31Å; D250-S500 WeakPolarHBondContact OD1-CB 3.37Å; D250-S500 PolarHBondContact OD1-OG 3.35Å; D250-Q503 WeakPolarHBondContact OD2-CB 3.48Å |
| 251 | F | 89.6 | Confident | 89.8 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 171.8 | -179.9 | -106.5 | 0 | 0 | 0 | 112.3 | V128 I245 D248 E249 M253 E254 F255 N511 L515 | V128-F251 HydrophobicContact CB-CD1 4.23Å; V128-F251 HydrophobicContact CB-CE1 3.74Å; V128-F251 HydrophobicContact CG1-CD1 3.85Å; V128-F251 HydrophobicContact CG1-CE1 3.42Å; V128-F251 VanDerWaalsContact CG1-CE1 3.42Å; V128-F251 HydrophobicContact CG1-CZ 4.39Å; I245-F251 HydrophobicContact CB-CD1 4.47Å; I245-F251 HydrophobicContact CG2-CD1 3.26Å; I245-F251 HydrophobicContact CG2-CE1 3.2Å; I245-F251 HydrophobicContact CG2-CG 3.96Å; I245-F251 HydrophobicContact CG2-CZ 3.92Å; I245-F251 WeakPolarHBondContact O-CD1 3.03Å; D248-F251 HydrophobicContact CB-CB 3.77Å; D248-F251 WeakPolarHBondContact O-CB 3.44Å; D248-F251 PolarHBondContact O-N 3.32Å; D248-F251 PolarHBondContact OD1-N 3.25Å; E249-F251 VanDerWaalsContact C-N 3.32Å; F251-M253 VanDerWaalsContact C-N 3.26Å; F251-M253 PolarHBondContact O-N 2.91Å; F251-E254 PolarHBondContact O-N 2.96Å; F251-F255 HydrophobicContact CE1-CB 4.46Å; F251-F255 HydrophobicContact CE1-CD2 4.28Å; F251-F255 HydrophobicContact CZ-CB 4.4Å; F251-F255 AromaticContact CZ-CD2 3.84Å; F251-F255 HydrophobicContact CZ-CD2 3.84Å; F251-F255 HydrophobicContact CZ-CG 4.48Å; F251-F255 WeakPolarHBondContact O-CB 3.36Å; F251-F255 PolarHBondContact O-N 3.41Å; F251-N511 HydrophobicContact CD2-CB 3.97Å; F251-N511 VanDerWaalsContact CD2-CG 3.47Å; F251-N511 WeakPolarHBondContact CD2-ND2 3.48Å; F251-N511 HydrophobicContact CE2-CB 3.08Å; F251-N511 WeakPolarHBondContact CE2-ND2 3.32Å; F251-N511 HydrophobicContact CZ-CB 3.53Å; F251-L515 HydrophobicContact CE1-CD1 4.45Å; F251-L515 HydrophobicContact CZ-CD1 4.3Å |
| 252 | R | 92.4 | Very high | 89.8 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.4 | -39.7 | 178.1 | -72.3 | -174.3 | -62.3 | 138.1 | -23.9 | 111.4 | D121 E124 V128 R246 D248 E249 F255 L256 | D121-R252 IonicContact OD1-CZ 2.75Å; D121-R252 IonicContact OD1-NH1 2.62Å; D121-R252 PolarHBondContact OD1-NH1 3.23Å; D121-R252 IonicContact OD1-NH2 2.8Å; D121-R252 PolarHBondContact OD1-NH2 2.93Å; E124-R252 IonicContact OE2-CZ 3.33Å; E124-R252 IonicContact OE2-NH1 4Å; E124-R252 PolarHBondContact OE2-NH1 3.46Å; V128-R252 HydrophobicContact CG1-CG 4.09Å; V128-R252 HydrophobicContact CG2-CG 3.96Å; R246-R252 WeakPolarHBondContact O-CD 3.45Å; D248-R252 WeakPolarHBondContact O-CG 3.33Å; D248-R252 PolarHBondContact O-N 3.01Å; E249-R252 VanDerWaalsContact CG-NH2 3.3Å; E249-R252 PolarHBondContact O-N 3.41Å; R252-F255 PolarHBondContact O-N 3.46Å; R252-L256 VanDerWaalsContact O-CG 3.32Å; R252-L256 WeakPolarHBondContact O-CG 3.27Å; R252-L256 PolarHBondContact O-N 2.91Å |
| 253 | M | 93.9 | Very high | 89.6 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 174.7 | -169.9 | 68 | 70.3 | 0 | 0 | 112.1 | L166 K169 E249 D250 F251 F255 L256 F257 I497 S500 L501 | L166-M253 HydrophobicContact CD2-SD 4.41Å; K169-M253 HydrophobicContact CD-CE 3.87Å; K169-M253 HydrophobicContact CD-SD 4.35Å; K169-M253 HydrophobicContact CG-CE 4.22Å; K169-M253 HydrophobicContact CG-SD 4.21Å; E249-M253 PolarHBondContact O-N 3.37Å; D250-M253 PolarHBondContact O-N 2.92Å; F251-M253 VanDerWaalsContact C-N 3.26Å; F251-M253 PolarHBondContact O-N 2.91Å; M253-F255 VanDerWaalsContact C-N 3.26Å; M253-F255 PolarHBondContact O-N 2.9Å; M253-L256 WeakPolarHBondContact O-CB 3.28Å; M253-L256 PolarHBondContact O-N 3.22Å; M253-L256 HydrophobicContact SD-CD1 4.13Å; M253-F257 WeakPolarHBondContact O-CD2 3.32Å; M253-I497 HydrophobicContact CE-CG1 4.31Å; M253-I497 HydrophobicContact CG-CG2 4.31Å; M253-I497 HydrophobicContact SD-CB 4.46Å; M253-I497 HydrophobicContact SD-CG1 4.12Å; M253-I497 HydrophobicContact SD-CG2 4.07Å; M253-S500 WeakPolarHBondContact CB-OG 3.06Å; M253-L501 HydrophobicContact CG-CD2 4Å; M253-L501 HydrophobicContact CG-CG 4.28Å |
| 254 | E | 90.5 | Very high | 89.5 | Confident | 21 Ų | 21 | 43.9 Ų | 43.9 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -37.8 | 175.5 | 178.3 | 67.1 | -166.8 | 0 | 0 | 111.3 | D250 F251 L256 F257 S262 L501 | D250-E254 PolarHBondContact O-N 3.48Å; F251-E254 PolarHBondContact O-N 2.96Å; E254-L256 VanDerWaalsContact C-N 3.27Å; E254-L256 PolarHBondContact O-N 3.3Å; E254-F257 WeakPolarHBondContact O-CB 3.49Å; E254-F257 PolarHBondContact O-N 3.48Å; E254-F257 VanDerWaalsContact O-N 3.14Å; E254-S262 VanDerWaalsContact CD-OG 3.28Å; E254-S262 PolarHBondContact OE1-OG 3.19Å; E254-S262 VanDerWaalsContact OE1-OG 3.05Å; E254-S262 VanDerWaalsContact OE2-CB 3.24Å; E254-S262 WeakPolarHBondContact OE2-CB 3.46Å; E254-S262 PolarHBondContact OE2-OG 3.43Å; E254-L501 HydrophobicContact CB-CD2 4.16Å; E254-L501 VanDerWaalsContact OE2-CD2 3.25Å; E254-L501 WeakPolarHBondContact OE2-CD2 3.4Å |
| 255 | F | 89.8 | Confident | 89.6 | Confident | 31 Ų | 31 | 37.2 Ų | 37.2 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -26 | 178.9 | -162.9 | -99 | 0 | 0 | 0 | 113.4 | A127 V128 Q159 F251 R252 M253 F257 Q258 L515 | A127-F255 HydrophobicContact CB-CD1 4.1Å; A127-F255 HydrophobicContact CB-CE1 3.84Å; A127-F255 WeakPolarHBondContact O-CE1 3.45Å; A127-F255 WeakPolarHBondContact O-CZ 3.23Å; V128-F255 HydrophobicContact CG1-CB 3.78Å; V128-F255 HydrophobicContact CG1-CD1 3.67Å; V128-F255 HydrophobicContact CG1-CD2 4.11Å; V128-F255 HydrophobicContact CG1-CE1 4.24Å; V128-F255 HydrophobicContact CG1-CG 3.58Å; Q159-F255 HydrophobicContact CG-CE1 4.07Å; Q159-F255 HydrophobicContact CG-CZ 4.1Å; F251-F255 HydrophobicContact CE1-CB 4.46Å; F251-F255 HydrophobicContact CE1-CD2 4.28Å; F251-F255 HydrophobicContact CZ-CB 4.4Å; F251-F255 AromaticContact CZ-CD2 3.84Å; F251-F255 HydrophobicContact CZ-CD2 3.84Å; F251-F255 HydrophobicContact CZ-CG 4.48Å; F251-F255 WeakPolarHBondContact O-CB 3.36Å; F251-F255 PolarHBondContact O-N 3.41Å; R252-F255 PolarHBondContact O-N 3.46Å; M253-F255 VanDerWaalsContact C-N 3.26Å; M253-F255 PolarHBondContact O-N 2.9Å; F255-F257 PolarHBondContact O-N 3.25Å; F255-Q258 PolarHBondContact O-N 3.44Å; F255-Q258 VanDerWaalsContact O-N 3.1Å; F255-Q258 PolarHBondContact O-NE2 3.49Å; F255-L515 HydrophobicContact CE2-CD1 3.87Å; F255-L515 HydrophobicContact CZ-CD1 4.43Å |
| 256 | L | 91.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -24.1 | 175 | -51.4 | -172.1 | 0 | 0 | 0 | 112.5 | E124 C162 P163 I165 L166 K169 R252 M253 E254 Q258 V386 | E124-L256 HydrophobicContact CG-CD2 4.19Å; C162-L256 HydrophobicContact CB-CD2 3.88Å; C162-L256 WeakPolarHBondContact O-CD2 3.18Å; P163-L256 WeakPolarHBondContact CA-O 3.4Å; I165-L256 HydrophobicContact CB-CD1 4.34Å; I165-L256 HydrophobicContact CB-CD2 4.44Å; I165-L256 HydrophobicContact CG2-CD1 4.43Å; L166-L256 HydrophobicContact CD1-CB 4.46Å; L166-L256 HydrophobicContact CD2-CB 4.17Å; L166-L256 HydrophobicContact CD2-CD1 3.88Å; L166-L256 HydrophobicContact CG-CB 4.08Å; L166-L256 HydrophobicContact CG-CD1 4.15Å; K169-L256 VanDerWaalsContact CE-CD1 3.45Å; K169-L256 HydrophobicContact CG-CD1 4.38Å; R252-L256 VanDerWaalsContact O-CG 3.32Å; R252-L256 WeakPolarHBondContact O-CG 3.27Å; R252-L256 PolarHBondContact O-N 2.91Å; M253-L256 WeakPolarHBondContact O-CB 3.28Å; M253-L256 PolarHBondContact O-N 3.22Å; M253-L256 HydrophobicContact SD-CD1 4.13Å; E254-L256 VanDerWaalsContact C-N 3.27Å; E254-L256 PolarHBondContact O-N 3.3Å; L256-Q258 PolarHBondContact O-N 2.98Å; L256-V386 WeakPolarHBondContact O-CG1 3.43Å |
| 257 | F | 89.6 | Confident | 89.9 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -11.4 | 178.6 | -75.3 | -105.4 | 0 | 0 | 0 | 113.3 | L166 M253 E254 F255 D259 V260 F265 L383 V386 I497 L501 | L166-F257 HydrophobicContact CD1-CE2 4.43Å; L166-F257 HydrophobicContact CD2-CE2 4.09Å; M253-F257 WeakPolarHBondContact O-CD2 3.32Å; E254-F257 WeakPolarHBondContact O-CB 3.49Å; E254-F257 PolarHBondContact O-N 3.48Å; E254-F257 VanDerWaalsContact O-N 3.14Å; F255-F257 PolarHBondContact O-N 3.25Å; F257-D259 PolarHBondContact O-N 3.49Å; F257-V260 WeakPolarHBondContact O-CA 3.29Å; F257-V260 PolarHBondContact O-N 3.01Å; F257-F265 HydrophobicContact CE1-CB 3.86Å; F257-F265 HydrophobicContact CE1-CD1 4.49Å; F257-F265 HydrophobicContact CE1-CG 4.26Å; F257-F265 HydrophobicContact CZ-CB 4.35Å; F257-F265 HydrophobicContact CZ-CD1 4.15Å; F257-F265 HydrophobicContact CZ-CG 4.26Å; F257-L383 HydrophobicContact CE1-CD2 4.15Å; F257-L383 HydrophobicContact CZ-CD2 3.75Å; F257-V386 HydrophobicContact CD1-CG1 4.41Å; F257-V386 HydrophobicContact CD1-CG2 3.52Å; F257-V386 HydrophobicContact CE1-CG2 3.74Å; F257-V386 HydrophobicContact CG-CG1 4.46Å; F257-V386 HydrophobicContact CG-CG2 4.33Å; F257-I497 HydrophobicContact CE2-CG2 4.23Å; F257-I497 HydrophobicContact CZ-CG2 4.24Å; F257-L501 HydrophobicContact CD2-CD1 4.47Å; F257-L501 HydrophobicContact CD2-CD2 3.8Å; F257-L501 HydrophobicContact CE1-CD1 4.41Å; F257-L501 HydrophobicContact CE2-CD1 3.68Å; F257-L501 HydrophobicContact CE2-CD2 3.67Å; F257-L501 HydrophobicContact CE2-CG 4.22Å; F257-L501 HydrophobicContact CZ-CD1 3.64Å; F257-L501 HydrophobicContact CZ-CD2 4.45Å |
| 258 | Q | 85.3 | Confident | 89.9 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.2 | -113.7 | 177.2 | -73.9 | -60.7 | -39 | 0 | 0 | 111.5 | C162 P163 F255 L256 K508 | C162-Q258 PolarHBondContact SG-NE2 3.31Å; P163-Q258 HydrophobicContact CG-CB 4.18Å; P163-Q258 HydrophobicContact CG-CG 3.6Å; F255-Q258 PolarHBondContact O-N 3.44Å; F255-Q258 VanDerWaalsContact O-N 3.1Å; F255-Q258 PolarHBondContact O-NE2 3.49Å; L256-Q258 PolarHBondContact O-N 2.98Å; Q258-K508 WeakPolarHBondContact O-CE 3.37Å; Q258-K508 PolarHBondContact O-NZ 2.99Å |
| 259 | D | 79.6 | Confident | 90 | Very high | 112 Ų | 112 | 38.2 Ų | 38.2 | 60% | 0.599 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -16.6 | -177.2 | -71.7 | -36.9 | 0 | 0 | 0 | 113.8 | F257 K508 K512 | F257-D259 PolarHBondContact O-N 3.49Å; D259-K508 VanDerWaalsContact C-NZ 3.27Å; D259-K508 PolarHBondContact O-NZ 3.11Å; D259-K508 VanDerWaalsContact O-NZ 3.13Å; D259-K512 IonicContact OD1-NZ 3.93Å |
| 260 | V | 83.1 | Confident | 90.2 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -72.8 | 143 | 173.2 | 170.3 | 0 | 0 | 0 | 0 | 109.2 | F257 E385 V386 Q389 K508 | F257-V260 WeakPolarHBondContact O-CA 3.29Å; F257-V260 PolarHBondContact O-N 3.01Å; V260-E385 HydrophobicContact CG2-CG 4.39Å; V260-V386 HydrophobicContact CB-CG2 3.95Å; V260-V386 HydrophobicContact CG1-CG2 3.73Å; V260-V386 HydrophobicContact CG2-CG2 4.31Å; V260-Q389 HydrophobicContact CG2-CG 4.2Å; V260-K508 PolarHBondContact O-NZ 3.31Å |
| 261 | C | 83.4 | Confident | 90.3 | Very high | 82 Ų | 82 | 39.7 Ų | 39.7 | 55% | 0.554 | 23% | 0.228 | S | C | * | . | trans | -80.7 | 118.5 | 175.7 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | A263 G264 | C261-A263 PolarHBondContact O-N 2.9Å; C261-A263 VanDerWaalsContact SG-CB 3.56Å; C261-G264 PolarHBondContact O-N 3.35Å; C261-G264 VanDerWaalsContact O-N 3.15Å | ||
| 262 | S | 88.6 | Confident | 90.4 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -26.5 | 176.9 | 60 | 0 | 0 | 0 | 0 | 113 | E254 G264 F265 I266 | E254-S262 VanDerWaalsContact CD-OG 3.28Å; E254-S262 PolarHBondContact OE1-OG 3.19Å; E254-S262 VanDerWaalsContact OE1-OG 3.05Å; E254-S262 VanDerWaalsContact OE2-CB 3.24Å; E254-S262 WeakPolarHBondContact OE2-CB 3.46Å; E254-S262 PolarHBondContact OE2-OG 3.43Å; S262-G264 PolarHBondContact O-N 3.46Å; S262-G264 VanDerWaalsContact O-N 3.16Å; S262-F265 PolarHBondContact O-N 3.07Å; S262-F265 VanDerWaalsContact O-N 3.11Å; S262-I266 WeakPolarHBondContact O-CG1 3.3Å; S262-I266 PolarHBondContact O-N 3.47Å |
| 263 | A | 88.6 | Confident | 90.4 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.4 | -29.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | C261 S267 | C261-A263 PolarHBondContact O-N 2.9Å; C261-A263 VanDerWaalsContact SG-CB 3.56Å; A263-S267 VanDerWaalsContact O-CB 3.27Å; A263-S267 WeakPolarHBondContact O-CB 3.49Å; A263-S267 PolarHBondContact O-N 3.33Å |
| 264 | G | 89.7 | Confident | 90.3 | Very high | 37 Ų | 37 | 43 Ų | 43 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -50.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C261 S262 S267 I268 | C261-G264 PolarHBondContact O-N 3.35Å; C261-G264 VanDerWaalsContact O-N 3.15Å; S262-G264 PolarHBondContact O-N 3.46Å; S262-G264 VanDerWaalsContact O-N 3.16Å; G264-S267 PolarHBondContact O-N 3.34Å; G264-I268 VanDerWaalsContact O-CG1 3.29Å; G264-I268 WeakPolarHBondContact O-CG1 3.19Å; G264-I268 PolarHBondContact O-N 3.05Å |
| 265 | F | 92.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -48.8 | 174.8 | 167.7 | -100 | 0 | 0 | 0 | 111.6 | F257 S262 S267 I268 F269 V379 S382 L383 W494 I497 C498 L501 | F257-F265 HydrophobicContact CE1-CB 3.86Å; F257-F265 HydrophobicContact CE1-CD1 4.49Å; F257-F265 HydrophobicContact CE1-CG 4.26Å; F257-F265 HydrophobicContact CZ-CB 4.35Å; F257-F265 HydrophobicContact CZ-CD1 4.15Å; F257-F265 HydrophobicContact CZ-CG 4.26Å; S262-F265 PolarHBondContact O-N 3.07Å; S262-F265 VanDerWaalsContact O-N 3.11Å; F265-S267 VanDerWaalsContact C-N 3.33Å; F265-S267 PolarHBondContact O-N 3.12Å; F265-I268 PolarHBondContact O-N 3.21Å; F265-F269 HydrophobicContact CE2-CB 4.45Å; F265-F269 HydrophobicContact CZ-CB 4.35Å; F265-F269 HydrophobicContact CZ-CG 4.45Å; F265-F269 VanDerWaalsContact O-CB 3.26Å; F265-F269 WeakPolarHBondContact O-CB 3.22Å; F265-F269 PolarHBondContact O-N 3.29Å; F265-V379 HydrophobicContact CE2-CG1 3.89Å; F265-S382 WeakPolarHBondContact CD2-OG 3.49Å; F265-L383 HydrophobicContact CD2-CD1 4.34Å; F265-L383 HydrophobicContact CD2-CD2 3.52Å; F265-L383 HydrophobicContact CD2-CG 3.68Å; F265-L383 HydrophobicContact CE2-CD1 3.76Å; F265-L383 HydrophobicContact CE2-CD2 3.65Å; F265-L383 HydrophobicContact CE2-CG 3.63Å; F265-L383 HydrophobicContact CG-CD2 4.02Å; F265-L383 HydrophobicContact CZ-CD1 4.41Å; F265-L383 HydrophobicContact CZ-CD2 4.22Å; F265-W494 HydrophobicContact CZ-CB 4.17Å; F265-I497 HydrophobicContact CD1-CG2 4.39Å; F265-I497 HydrophobicContact CE1-CB 4.18Å; F265-I497 HydrophobicContact CE1-CG2 3.69Å; F265-I497 HydrophobicContact CZ-CB 4.31Å; F265-I497 HydrophobicContact CZ-CG2 4.12Å; F265-C498 HydrophobicContact CE1-CB 3.93Å; F265-L501 HydrophobicContact CD1-CD1 3.62Å; F265-L501 HydrophobicContact CE1-CD1 3.98Å |
| 266 | I | 94.5 | Very high | 89.9 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.6 | -47.6 | -179.7 | -65.1 | 168.3 | 0 | 0 | 0 | 111 | S262 F269 H270 L501 | S262-I266 WeakPolarHBondContact O-CG1 3.3Å; S262-I266 PolarHBondContact O-N 3.47Å; I266-F269 PolarHBondContact O-N 3.27Å; I266-H270 WeakPolarHBondContact O-CB 3.4Å; I266-H270 PolarHBondContact O-N 3.48Å; I266-L501 HydrophobicContact CD1-CB 3.82Å; I266-L501 HydrophobicContact CG1-CB 4.21Å; I266-L501 HydrophobicContact CG1-CD1 4.2Å |
| 267 | S | 94.4 | Very high | 89.6 | Confident | 77 Ų | 77 | 46.7 Ų | 46.7 | 54% | 0.538 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | -179.7 | -177 | 0 | 0 | 0 | 0 | 111.8 | A263 G264 F265 F269 E271 | A263-S267 VanDerWaalsContact O-CB 3.27Å; A263-S267 WeakPolarHBondContact O-CB 3.49Å; A263-S267 PolarHBondContact O-N 3.33Å; G264-S267 PolarHBondContact O-N 3.34Å; F265-S267 VanDerWaalsContact C-N 3.33Å; F265-S267 PolarHBondContact O-N 3.12Å; S267-F269 PolarHBondContact O-N 3.1Å; S267-E271 WeakPolarHBondContact O-CB 3.46Å; S267-E271 PolarHBondContact O-N 3.11Å; S267-E271 VanDerWaalsContact O-N 3.1Å |
| 268 | I | 93.9 | Very high | 89.2 | Confident | 54 Ų | 54 | 52.7 Ų | 52.7 | 28% | 0.277 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 178.3 | -68.2 | 167.7 | 0 | 0 | 0 | 110 | G264 F265 E271 Q272 K378 V379 | G264-I268 VanDerWaalsContact O-CG1 3.29Å; G264-I268 WeakPolarHBondContact O-CG1 3.19Å; G264-I268 PolarHBondContact O-N 3.05Å; F265-I268 PolarHBondContact O-N 3.21Å; I268-E271 PolarHBondContact O-N 3.38Å; I268-Q272 HydrophobicContact CG2-CG 4.26Å; I268-Q272 WeakPolarHBondContact O-CG 3.47Å; I268-Q272 PolarHBondContact O-N 3.48Å; I268-K378 HydrophobicContact CG2-CB 4.08Å; I268-V379 HydrophobicContact CG2-CG2 4.12Å |
| 269 | F | 94.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -51.2 | -179.1 | -178.1 | -106.6 | 0 | 0 | 0 | 111.8 | F265 I266 S267 E271 Q272 Q273 V379 I491 W494 E495 C498 | F265-F269 HydrophobicContact CE2-CB 4.45Å; F265-F269 HydrophobicContact CZ-CB 4.35Å; F265-F269 HydrophobicContact CZ-CG 4.45Å; F265-F269 VanDerWaalsContact O-CB 3.26Å; F265-F269 WeakPolarHBondContact O-CB 3.22Å; F265-F269 PolarHBondContact O-N 3.29Å; I266-F269 PolarHBondContact O-N 3.27Å; S267-F269 PolarHBondContact O-N 3.1Å; F269-E271 PolarHBondContact O-N 3.26Å; F269-Q272 PolarHBondContact O-N 3.29Å; F269-Q272 VanDerWaalsContact O-N 3.16Å; F269-Q273 HydrophobicContact CD2-CB 4.46Å; F269-Q273 HydrophobicContact CE1-CB 4.16Å; F269-Q273 HydrophobicContact CE1-CG 4.05Å; F269-Q273 HydrophobicContact CE2-CB 4.1Å; F269-Q273 HydrophobicContact CE2-CG 4.14Å; F269-Q273 HydrophobicContact CZ-CB 3.94Å; F269-Q273 HydrophobicContact CZ-CG 3.64Å; F269-Q273 WeakPolarHBondContact O-CB 3.48Å; F269-Q273 PolarHBondContact O-N 2.87Å; F269-V379 HydrophobicContact CD2-CG1 3.9Å; F269-V379 HydrophobicContact CD2-CG2 4.43Å; F269-I491 HydrophobicContact CE2-CG2 4.23Å; F269-I491 HydrophobicContact CZ-CG2 4.29Å; F269-W494 HydrophobicContact CD2-CB 3.81Å; F269-W494 HydrophobicContact CD2-CE3 4.43Å; F269-W494 HydrophobicContact CE2-CB 3.41Å; F269-W494 VanDerWaalsContact CE2-CB 3.41Å; F269-W494 HydrophobicContact CE2-CE3 4.14Å; F269-W494 HydrophobicContact CE2-CG 4.39Å; F269-W494 HydrophobicContact CZ-CB 4.03Å; F269-E495 HydrophobicContact CE1-CB 4Å; F269-E495 HydrophobicContact CE1-CG 4.45Å; F269-E495 HydrophobicContact CZ-CB 3.77Å; F269-C498 HydrophobicContact CD1-CB 3.61Å; F269-C498 HydrophobicContact CE1-CB 3.98Å; F269-C498 HydrophobicContact CG-CB 4.41Å |
| 270 | H | 95.9 | Very high | 88.9 | Confident | 96 Ų | 96 | 46.5 Ų | 46.5 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58 | -34.8 | 177.3 | -74.9 | 171.9 | 0 | 0 | 0 | 112.8 | I266 P274 C498 | I266-H270 WeakPolarHBondContact O-CB 3.4Å; I266-H270 PolarHBondContact O-N 3.48Å; H270-P274 VanDerWaalsContact O-CD 3.31Å; H270-P274 WeakPolarHBondContact O-CD 3.36Å; H270-C498 PolarHBondContact NE2-SG 2.98Å; H270-C498 VanDerWaalsContact NE2-SG 3.39Å |
| 271 | E | 94.8 | Very high | 88.6 | Confident | 109 Ų | 109 | 49 Ų | 49 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.7 | -40.3 | 177.5 | -159.5 | -150 | 129.7 | 0 | 0 | 112.7 | S267 I268 F269 K275 | S267-E271 WeakPolarHBondContact O-CB 3.46Å; S267-E271 PolarHBondContact O-N 3.11Å; S267-E271 VanDerWaalsContact O-N 3.1Å; I268-E271 PolarHBondContact O-N 3.38Å; F269-E271 PolarHBondContact O-N 3.26Å; E271-K275 VanDerWaalsContact O-CE 3.27Å; E271-K275 WeakPolarHBondContact O-CE 3.18Å; E271-K275 IonicContact OE1-NZ 4Å; E271-K275 PolarHBondContact OE1-NZ 3.29Å |
| 272 | Q | 90.8 | Very high | 88 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -89.3 | -33.1 | -174.6 | -55 | -37 | -38.9 | 0 | 0 | 113.8 | I268 F269 K275 L276 D375 V379 | I268-Q272 HydrophobicContact CG2-CG 4.26Å; I268-Q272 WeakPolarHBondContact O-CG 3.47Å; I268-Q272 PolarHBondContact O-N 3.48Å; F269-Q272 PolarHBondContact O-N 3.29Å; F269-Q272 VanDerWaalsContact O-N 3.16Å; Q272-K275 WeakPolarHBondContact O-CA 3.48Å; Q272-K275 WeakPolarHBondContact O-CB 3.28Å; Q272-K275 PolarHBondContact O-N 3.2Å; Q272-L276 HydrophobicContact CB-CD1 4.2Å; Q272-L276 HydrophobicContact CB-CG 4.48Å; Q272-L276 WeakPolarHBondContact O-CG 3.42Å; Q272-L276 PolarHBondContact O-N 2.74Å; Q272-D375 HydrophobicContact CB-CB 4.43Å; Q272-D375 HydrophobicContact CG-CB 4.39Å; Q272-D375 VanDerWaalsContact OE1-CG 3.31Å; Q272-D375 PolarHBondContact OE1-OD1 2.85Å; Q272-V379 HydrophobicContact CB-CG2 3.86Å; Q272-V379 HydrophobicContact CG-CG2 4.11Å |
| 273 | Q | 93.7 | Very high | 87.2 | Confident | 30 Ų | 30 | 47 Ų | 47 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -48 | -52.2 | -176.4 | -173.5 | -165.9 | 27.5 | 0 | 0 | 113.7 | F269 K275 L276 L277 I491 E495 | F269-Q273 HydrophobicContact CD2-CB 4.46Å; F269-Q273 HydrophobicContact CE1-CB 4.16Å; F269-Q273 HydrophobicContact CE1-CG 4.05Å; F269-Q273 HydrophobicContact CE2-CB 4.1Å; F269-Q273 HydrophobicContact CE2-CG 4.14Å; F269-Q273 HydrophobicContact CZ-CB 3.94Å; F269-Q273 HydrophobicContact CZ-CG 3.64Å; F269-Q273 WeakPolarHBondContact O-CB 3.48Å; F269-Q273 PolarHBondContact O-N 2.87Å; Q273-K275 VanDerWaalsContact C-N 3.27Å; Q273-K275 PolarHBondContact O-N 3.31Å; Q273-L276 PolarHBondContact O-N 2.9Å; Q273-L277 HydrophobicContact CG-CD1 3.92Å; Q273-L277 HydrophobicContact CG-CG 4.31Å; Q273-L277 WeakPolarHBondContact O-CG 3.36Å; Q273-L277 PolarHBondContact O-N 3.34Å; Q273-I491 HydrophobicContact CG-CG2 4.08Å; Q273-E495 PolarHBondContact NE2-OE1 3.01Å; Q273-E495 VanDerWaalsContact NE2-OE1 3.14Å; Q273-E495 PolarHBondContact NE2-OE2 2.75Å |
| 274 | P | 90.7 | Very high | 86.4 | Confident | 77 Ų | 77 | 47 Ų | 47 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.1 | -30.1 | -179.4 | 25 | -34.8 | 0 | 0 | 0 | 113 | H270 K278 | H270-P274 VanDerWaalsContact O-CD 3.31Å; H270-P274 WeakPolarHBondContact O-CD 3.36Å; P274-K278 WeakPolarHBondContact O-CB 3.41Å; P274-K278 PolarHBondContact O-N 3.18Å; P274-K278 VanDerWaalsContact O-N 3.12Å |
| 275 | K | 86.6 | Confident | 85.4 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.2 | -43.7 | 176.8 | -54.6 | 174.8 | -163 | 159.1 | 0 | 110.4 | E271 Q272 Q273 F279 | E271-K275 VanDerWaalsContact O-CE 3.27Å; E271-K275 WeakPolarHBondContact O-CE 3.18Å; E271-K275 IonicContact OE1-NZ 4Å; E271-K275 PolarHBondContact OE1-NZ 3.29Å; Q272-K275 WeakPolarHBondContact O-CA 3.48Å; Q272-K275 WeakPolarHBondContact O-CB 3.28Å; Q272-K275 PolarHBondContact O-N 3.2Å; Q273-K275 VanDerWaalsContact C-N 3.27Å; Q273-K275 PolarHBondContact O-N 3.31Å; K275-F279 PolarHBondContact O-N 3.22Å; K275-F279 VanDerWaalsContact O-N 3.1Å |
| 276 | L | 84.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -50.8 | 177.9 | -64.8 | 173.3 | 0 | 0 | 0 | 111.3 | Q272 Q273 K278 F279 L280 F372 D375 F376 V379 I491 W494 | Q272-L276 HydrophobicContact CB-CD1 4.2Å; Q272-L276 HydrophobicContact CB-CG 4.48Å; Q272-L276 WeakPolarHBondContact O-CG 3.42Å; Q272-L276 PolarHBondContact O-N 2.74Å; Q273-L276 PolarHBondContact O-N 2.9Å; L276-K278 PolarHBondContact O-N 3.17Å; L276-F279 WeakPolarHBondContact O-CB 3.45Å; L276-F279 PolarHBondContact O-N 2.92Å; L276-L280 WeakPolarHBondContact O-CG 3.36Å; L276-L280 PolarHBondContact O-N 2.91Å; L276-F372 HydrophobicContact CB-CE2 4.41Å; L276-F372 HydrophobicContact CD2-CD2 3.55Å; L276-F372 HydrophobicContact CD2-CE2 3.57Å; L276-F372 HydrophobicContact CD2-CG 4.47Å; L276-F372 HydrophobicContact CD2-CZ 4.48Å; L276-D375 HydrophobicContact CD2-CB 4.01Å; L276-F376 HydrophobicContact CD1-CD2 4.23Å; L276-F376 HydrophobicContact CD2-CB 3.94Å; L276-F376 HydrophobicContact CD2-CD2 4.21Å; L276-V379 HydrophobicContact CD1-CG2 4.4Å; L276-I491 HydrophobicContact CB-CD1 3.67Å; L276-I491 HydrophobicContact CD1-CD1 4.32Å; L276-I491 HydrophobicContact CD1-CG1 4.41Å; L276-W494 HydrophobicContact CD1-CZ3 4.28Å |
| 277 | L | 86.5 | Confident | 82.7 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 179.3 | -70.9 | 178.7 | 0 | 0 | 0 | 111.9 | Q273 F279 L280 D281 I491 | Q273-L277 HydrophobicContact CG-CD1 3.92Å; Q273-L277 HydrophobicContact CG-CG 4.31Å; Q273-L277 WeakPolarHBondContact O-CG 3.36Å; Q273-L277 PolarHBondContact O-N 3.34Å; L277-F279 VanDerWaalsContact C-N 3.31Å; L277-F279 PolarHBondContact O-N 3.43Å; L277-L280 PolarHBondContact O-N 2.98Å; L277-L280 VanDerWaalsContact O-N 3.11Å; L277-D281 PolarHBondContact O-N 3.45Å; L277-I491 HydrophobicContact CD2-CD1 4.28Å; L277-I491 HydrophobicContact CD2-CG2 3.94Å; L277-I491 HydrophobicContact CG-CG2 4.26Å |
| 278 | K | 81.1 | Confident | 81.4 | Confident | 127 Ų | 127 | 47.7 Ų | 47.7 | 55% | 0.552 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -58.6 | -43.1 | 175.5 | -179.7 | 170.4 | -178.6 | 169.3 | 0 | 112.2 | P274 L276 L280 D281 D282 | P274-K278 WeakPolarHBondContact O-CB 3.41Å; P274-K278 PolarHBondContact O-N 3.18Å; P274-K278 VanDerWaalsContact O-N 3.12Å; L276-K278 PolarHBondContact O-N 3.17Å; K278-L280 VanDerWaalsContact C-N 3.32Å; K278-L280 PolarHBondContact O-N 3.47Å; K278-D281 PolarHBondContact O-N 3.08Å; K278-D282 PolarHBondContact O-N 2.93Å |
| 279 | F | 79.3 | Confident | 79.9 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 175.7 | 176.2 | -94.6 | 0 | 0 | 0 | 111.8 | K275 L276 L277 D282 V283 V368 F369 F372 | K275-F279 PolarHBondContact O-N 3.22Å; K275-F279 VanDerWaalsContact O-N 3.1Å; L276-F279 WeakPolarHBondContact O-CB 3.45Å; L276-F279 PolarHBondContact O-N 2.92Å; L277-F279 VanDerWaalsContact C-N 3.31Å; L277-F279 PolarHBondContact O-N 3.43Å; F279-D282 PolarHBondContact O-N 3.38Å; F279-V283 HydrophobicContact CD1-CG2 4.21Å; F279-V283 HydrophobicContact CE1-CG2 3.76Å; F279-V283 HydrophobicContact CE2-CG2 4.46Å; F279-V283 HydrophobicContact CZ-CG2 3.89Å; F279-V283 WeakPolarHBondContact O-CG2 3.32Å; F279-V283 PolarHBondContact O-N 3.3Å; F279-V368 HydrophobicContact CD2-CG1 3.92Å; F279-V368 HydrophobicContact CE2-CG1 3.78Å; F279-F369 HydrophobicContact CE1-CD1 4.4Å; F279-F369 HydrophobicContact CE1-CE1 4.14Å; F279-F369 AromaticContact CZ-CD1 3.68Å; F279-F369 HydrophobicContact CZ-CD1 3.68Å; F279-F369 HydrophobicContact CZ-CD2 4.49Å; F279-F369 AromaticContact CZ-CE1 3.5Å; F279-F369 HydrophobicContact CZ-CE1 3.5Å; F279-F369 HydrophobicContact CZ-CE2 4.32Å; F279-F369 HydrophobicContact CZ-CG 4.19Å; F279-F369 AromaticContact CZ-CZ 3.83Å; F279-F369 HydrophobicContact CZ-CZ 3.83Å; F279-F372 HydrophobicContact CB-CD2 3.96Å; F279-F372 HydrophobicContact CD1-CB 3.99Å; F279-F372 HydrophobicContact CD1-CD1 4.16Å; F279-F372 AromaticContact CD1-CD2 3.13Å; F279-F372 HydrophobicContact CD1-CD2 3.13Å; F279-F372 HydrophobicContact CD1-CE1 4.49Å; F279-F372 AromaticContact CD1-CE2 3.54Å; F279-F372 HydrophobicContact CD1-CE2 3.54Å; F279-F372 AromaticContact CD1-CG 3.48Å; F279-F372 HydrophobicContact CD1-CG 3.48Å; F279-F372 VanDerWaalsContact CD1-CG 3.48Å; F279-F372 HydrophobicContact CD1-CZ 4.21Å; F279-F372 HydrophobicContact CD2-CB 4.22Å; F279-F372 HydrophobicContact CE1-CB 4.01Å; F279-F372 AromaticContact CE1-CD1 3.85Å; F279-F372 HydrophobicContact CE1-CD1 3.85Å; F279-F372 AromaticContact CE1-CD2 3.71Å; F279-F372 HydrophobicContact CE1-CD2 3.71Å; F279-F372 HydrophobicContact CE1-CE1 4.25Å; F279-F372 HydrophobicContact CE1-CE2 4.11Å; F279-F372 AromaticContact CE1-CG 3.55Å; F279-F372 HydrophobicContact CE1-CG 3.55Å; F279-F372 HydrophobicContact CE1-CZ 4.37Å; F279-F372 HydrophobicContact CE2-CB 4.26Å; F279-F372 HydrophobicContact CG-CB 4.09Å; F279-F372 AromaticContact CG-CD2 3.64Å; F279-F372 HydrophobicContact CG-CD2 3.64Å; F279-F372 HydrophobicContact CG-CE2 4.36Å; F279-F372 HydrophobicContact CG-CG 4.02Å; F279-F372 HydrophobicContact CZ-CB 4.14Å; F279-F372 HydrophobicContact CZ-CG 4.18Å |
| 280 | L | 78.5 | Confident | 78.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.7 | -33 | 178.1 | -61.1 | -179.5 | 0 | 0 | 0 | 112.9 | L276 L277 K278 V283 E284 F372 A484 F487 R488 I491 | L276-L280 WeakPolarHBondContact O-CG 3.36Å; L276-L280 PolarHBondContact O-N 2.91Å; L277-L280 PolarHBondContact O-N 2.98Å; L277-L280 VanDerWaalsContact O-N 3.11Å; K278-L280 VanDerWaalsContact C-N 3.32Å; K278-L280 PolarHBondContact O-N 3.47Å; L280-V283 PolarHBondContact O-N 2.78Å; L280-E284 WeakPolarHBondContact O-CB 3.46Å; L280-E284 PolarHBondContact O-N 3.39Å; L280-F372 HydrophobicContact CD2-CE2 4.06Å; L280-F372 HydrophobicContact CD2-CZ 4.08Å; L280-F372 HydrophobicContact CG-CE2 4.37Å; L280-A484 HydrophobicContact CD2-CB 4.42Å; L280-F487 HydrophobicContact CD1-CB 3.61Å; L280-F487 HydrophobicContact CD2-CB 3.72Å; L280-F487 HydrophobicContact CD2-CD2 4.3Å; L280-F487 HydrophobicContact CD2-CG 4.28Å; L280-F487 HydrophobicContact CG-CB 4.32Å; L280-R488 VanDerWaalsContact C-NH2 3.34Å; L280-R488 HydrophobicContact CB-CG 4.36Å; L280-R488 HydrophobicContact CD1-CB 4.41Å; L280-R488 HydrophobicContact CD1-CG 3.59Å; L280-R488 PolarHBondContact O-NH2 3Å; L280-R488 VanDerWaalsContact O-NH2 3.12Å; L280-I491 HydrophobicContact CD1-CD1 3.62Å |
| 281 | D | 77.8 | Confident | 76.8 | Confident | 77 Ų | 77 | 47.8 Ų | 47.8 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 172.2 | -71.5 | -14.7 | 0 | 0 | 0 | 111.7 | L277 K278 V283 E284 Q285 R488 | L277-D281 PolarHBondContact O-N 3.45Å; K278-D281 PolarHBondContact O-N 3.08Å; D281-V283 VanDerWaalsContact C-N 3.34Å; D281-V283 PolarHBondContact O-N 2.99Å; D281-E284 PolarHBondContact O-N 3.28Å; D281-Q285 WeakPolarHBondContact O-CB 3.4Å; D281-Q285 VanDerWaalsContact O-CG 3.28Å; D281-Q285 WeakPolarHBondContact O-CG 3.3Å; D281-Q285 PolarHBondContact O-N 2.9Å; D281-R488 IonicContact OD1-CZ 2.84Å; D281-R488 IonicContact OD1-NE 2.98Å; D281-R488 IonicContact OD1-NH2 2.83Å; D281-R488 PolarHBondContact OD1-NH2 3.45Å |
| 282 | D | 69.6 | Low | 75.3 | Confident | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 174.2 | -68 | -21.6 | 0 | 0 | 0 | 110.7 | K278 F279 E284 Q285 C286 | K278-D282 PolarHBondContact O-N 2.93Å; F279-D282 PolarHBondContact O-N 3.38Å; D282-E284 PolarHBondContact O-N 3.08Å; D282-Q285 PolarHBondContact O-N 3.03Å; D282-C286 WeakPolarHBondContact O-CB 3.34Å; D282-C286 PolarHBondContact O-N 2.96Å; D282-C286 PolarHBondContact O-SG 3.05Å |
| 283 | V | 72.1 | Confident | 73.6 | Confident | 17 Ų | 17 | 52 Ų | 52 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | F279 L280 D281 C286 A287 L480 A484 | F279-V283 HydrophobicContact CD1-CG2 4.21Å; F279-V283 HydrophobicContact CE1-CG2 3.76Å; F279-V283 HydrophobicContact CE2-CG2 4.46Å; F279-V283 HydrophobicContact CZ-CG2 3.89Å; F279-V283 WeakPolarHBondContact O-CG2 3.32Å; F279-V283 PolarHBondContact O-N 3.3Å; L280-V283 PolarHBondContact O-N 2.78Å; D281-V283 VanDerWaalsContact C-N 3.34Å; D281-V283 PolarHBondContact O-N 2.99Å; V283-C286 WeakPolarHBondContact O-CB 3.36Å; V283-C286 PolarHBondContact O-N 3.36Å; V283-A287 PolarHBondContact O-N 3.48Å; V283-L480 HydrophobicContact CG1-CB 3.89Å; V283-L480 HydrophobicContact CG1-CD2 4.16Å; V283-L480 HydrophobicContact CG1-CG 4.46Å; V283-A484 HydrophobicContact CG1-CB 4.14Å |
| 284 | E | 71.5 | Confident | 71.9 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 178.1 | -173.7 | 60.3 | -137.5 | 0 | 0 | 111.7 | L280 D281 D282 C286 A287 A288 R481 R488 | L280-E284 WeakPolarHBondContact O-CB 3.46Å; L280-E284 PolarHBondContact O-N 3.39Å; D281-E284 PolarHBondContact O-N 3.28Å; D282-E284 PolarHBondContact O-N 3.08Å; E284-C286 VanDerWaalsContact C-N 3.34Å; E284-C286 PolarHBondContact O-N 3.45Å; E284-A287 WeakPolarHBondContact O-CB 3.22Å; E284-A287 PolarHBondContact O-N 3.48Å; E284-A288 PolarHBondContact O-N 3.37Å; E284-R481 VanDerWaalsContact OE1-CD 3.25Å; E284-R481 WeakPolarHBondContact OE1-CD 3.38Å; E284-R481 WeakPolarHBondContact OE1-CG 3.49Å; E284-R481 IonicContact OE1-CZ 2.58Å; E284-R481 IonicContact OE1-NE 3.75Å; E284-R481 PolarHBondContact OE1-NE 3.44Å; E284-R481 WeakPolarHBondContact OE2-CG 3.24Å; E284-R488 IonicContact OE2-NH1 3.26Å |
| 285 | Q | 69.4 | Low | 70.4 | Confident | 114 Ų | 114 | 53.5 Ų | 53.5 | 53% | 0.533 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.2 | -72.6 | 178.1 | 34.2 | 0 | 0 | 111.4 | D281 D282 A287 A288 Q289 | D281-Q285 WeakPolarHBondContact O-CB 3.4Å; D281-Q285 VanDerWaalsContact O-CG 3.28Å; D281-Q285 WeakPolarHBondContact O-CG 3.3Å; D281-Q285 PolarHBondContact O-N 2.9Å; D282-Q285 PolarHBondContact O-N 3.03Å; Q285-A287 VanDerWaalsContact C-N 3.33Å; Q285-A287 PolarHBondContact O-N 2.97Å; Q285-A288 PolarHBondContact O-N 3.02Å; Q285-Q289 WeakPolarHBondContact O-CG 3.38Å; Q285-Q289 PolarHBondContact O-N 3.37Å |
| 286 | C | 64.9 | Low | 68.9 | Low | 18 Ų | 18 | 51.9 Ų | 51.9 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 174 | -73.5 | 0 | 0 | 0 | 0 | 111.4 | D282 V283 E284 A288 Q289 L290 A320 | D282-C286 WeakPolarHBondContact O-CB 3.34Å; D282-C286 PolarHBondContact O-N 2.96Å; D282-C286 PolarHBondContact O-SG 3.05Å; V283-C286 WeakPolarHBondContact O-CB 3.36Å; V283-C286 PolarHBondContact O-N 3.36Å; E284-C286 VanDerWaalsContact C-N 3.34Å; E284-C286 PolarHBondContact O-N 3.45Å; C286-A288 VanDerWaalsContact C-N 3.35Å; C286-A288 PolarHBondContact O-N 3.26Å; C286-Q289 PolarHBondContact O-N 3.32Å; C286-L290 WeakPolarHBondContact O-CG 3.5Å; C286-L290 PolarHBondContact O-N 3.06Å; C286-A320 WeakPolarHBondContact CB-O 3.37Å; C286-A320 PolarHBondContact SG-O 3.42Å |
| 287 | A | 66 | Low | 67.3 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V283 E284 Q285 L290 E291 S477 L480 R481 | V283-A287 PolarHBondContact O-N 3.48Å; E284-A287 WeakPolarHBondContact O-CB 3.22Å; E284-A287 PolarHBondContact O-N 3.48Å; Q285-A287 VanDerWaalsContact C-N 3.33Å; Q285-A287 PolarHBondContact O-N 2.97Å; A287-L290 PolarHBondContact O-N 2.89Å; A287-E291 PolarHBondContact O-N 2.79Å; A287-S477 WeakPolarHBondContact O-CB 3.42Å; A287-S477 PolarHBondContact O-OG 2.96Å; A287-L480 HydrophobicContact CB-CB 4.16Å; A287-R481 HydrophobicContact CB-CG 3.64Å |
| 288 | A | 67.9 | Low | 65.3 | Low | 31 Ų | 31 | 57.4 Ų | 57.4 | 26% | 0.256 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E284 Q285 C286 E291 K292 | E284-A288 PolarHBondContact O-N 3.37Å; Q285-A288 PolarHBondContact O-N 3.02Å; C286-A288 VanDerWaalsContact C-N 3.35Å; C286-A288 PolarHBondContact O-N 3.26Å; A288-E291 PolarHBondContact O-N 2.65Å; A288-K292 WeakPolarHBondContact O-CG 3.46Å; A288-K292 PolarHBondContact O-N 3.25Å |
| 289 | Q | 62 | Low | 63.6 | Low | 97 Ų | 97 | 57.3 Ų | 57.3 | 45% | 0.453 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 175.4 | -71.9 | -177.8 | 4.6 | 0 | 0 | 111.6 | Q285 C286 E291 K292 M293 | Q285-Q289 WeakPolarHBondContact O-CG 3.38Å; Q285-Q289 PolarHBondContact O-N 3.37Å; C286-Q289 PolarHBondContact O-N 3.32Å; Q289-E291 PolarHBondContact O-N 2.78Å; Q289-K292 PolarHBondContact O-N 2.99Å; Q289-M293 VanDerWaalsContact O-CG 3.25Å; Q289-M293 WeakPolarHBondContact O-CG 3.39Å; Q289-M293 PolarHBondContact O-N 3.43Å |
| 290 | L | 62.3 | Low | 61.6 | Low | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56 | -38.3 | 176.1 | -74.9 | 171.5 | 0 | 0 | 0 | 112.2 | C286 A287 N294 V317 A320 V476 L480 | C286-L290 WeakPolarHBondContact O-CG 3.5Å; C286-L290 PolarHBondContact O-N 3.06Å; A287-L290 PolarHBondContact O-N 2.89Å; L290-N294 PolarHBondContact O-N 2.81Å; L290-N294 VanDerWaalsContact O-N 3.09Å; L290-V317 HydrophobicContact CD2-CG2 3.93Å; L290-A320 HydrophobicContact CD2-CB 4.2Å; L290-A320 HydrophobicContact CG-CB 4.32Å; L290-V476 HydrophobicContact CD1-CB 4.27Å; L290-V476 HydrophobicContact CD1-CG1 3.85Å; L290-L480 HydrophobicContact CD1-CD1 4.28Å |
| 291 | E | 61.8 | Low | 59.9 | Low | 50 Ų | 50 | 64.7 Ų | 64.7 | 23% | 0.234 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.6 | -45 | 177.9 | -165 | -168.1 | 148.1 | 0 | 0 | 112.9 | A287 A288 Q289 M293 N294 K295 R481 | A287-E291 PolarHBondContact O-N 2.79Å; A288-E291 PolarHBondContact O-N 2.65Å; Q289-E291 PolarHBondContact O-N 2.78Å; E291-M293 PolarHBondContact O-N 2.87Å; E291-N294 WeakPolarHBondContact O-CB 3.46Å; E291-N294 PolarHBondContact O-N 3.17Å; E291-N294 VanDerWaalsContact O-N 3.08Å; E291-K295 PolarHBondContact O-N 3.24Å; E291-K295 WeakPolarHBondContact OE1-CE 3.31Å; E291-K295 IonicContact OE1-NZ 2.78Å; E291-K295 PolarHBondContact OE1-NZ 2.92Å; E291-R481 IonicContact OE2-CZ 2.6Å; E291-R481 IonicContact OE2-NH1 3.18Å; E291-R481 PolarHBondContact OE2-NH1 3.13Å; E291-R481 IonicContact OE2-NH2 2.9Å; E291-R481 PolarHBondContact OE2-NH2 3Å |
| 292 | K | 63.5 | Low | 58 | Low | 157 Ų | 157 | 67.8 Ų | 67.8 | 68% | 0.683 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56.4 | -42.4 | 175.1 | -75.5 | 178.5 | -178.7 | 178.3 | 0 | 111.1 | A288 Q289 K295 G296 | A288-K292 WeakPolarHBondContact O-CG 3.46Å; A288-K292 PolarHBondContact O-N 3.25Å; Q289-K292 PolarHBondContact O-N 2.99Å; K292-K295 PolarHBondContact O-N 2.9Å; K292-G296 PolarHBondContact O-N 2.9Å |
| 293 | M | 55.7 | Low | 56.5 | Low | 44 Ų | 44 | 71.7 Ų | 71.7 | 22% | 0.217 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.2 | -33.4 | 177.2 | -67.5 | 174.9 | 64.7 | 0 | 0 | 113.7 | Q289 E291 A297 I316 K473 | Q289-M293 VanDerWaalsContact O-CG 3.25Å; Q289-M293 WeakPolarHBondContact O-CG 3.39Å; Q289-M293 PolarHBondContact O-N 3.43Å; E291-M293 PolarHBondContact O-N 2.87Å; M293-A297 WeakPolarHBondContact O-CB 3.44Å; M293-A297 PolarHBondContact O-N 3.15Å; M293-I316 HydrophobicContact CE-CB 3.58Å; M293-I316 HydrophobicContact CE-CD1 3.24Å; M293-I316 HydrophobicContact CE-CG1 3.97Å; M293-I316 HydrophobicContact CE-CG2 3.46Å; M293-I316 VanDerWaalsContact CE-CG2 3.46Å; M293-I316 HydrophobicContact SD-CB 4.11Å; M293-I316 HydrophobicContact SD-CD1 4.17Å; M293-I316 HydrophobicContact SD-CG2 3.25Å; M293-I316 WeakPolarHBondContact SD-CG2 3.41Å; M293-K473 HydrophobicContact CB-CD 4.41Å |
| 294 | N | 57.4 | Low | 54.5 | Low | 24 Ų | 24 | 76 Ų | 76 | 13% | 0.128 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 173.4 | -175.4 | 62.9 | 0 | 0 | 0 | 111.2 | L290 E291 A297 K298 K473 T474 | L290-N294 PolarHBondContact O-N 2.81Å; L290-N294 VanDerWaalsContact O-N 3.09Å; E291-N294 WeakPolarHBondContact O-CB 3.46Å; E291-N294 PolarHBondContact O-N 3.17Å; E291-N294 VanDerWaalsContact O-N 3.08Å; N294-A297 PolarHBondContact O-N 2.92Å; N294-K298 WeakPolarHBondContact O-CG 3.37Å; N294-K298 PolarHBondContact O-N 3.27Å; N294-K473 HydrophobicContact CB-CB 4.1Å; N294-T474 PolarHBondContact ND2-OG1 3Å |
| 295 | K | 59.5 | Low | 52.7 | Low | 116 Ų | 116 | 78.8 Ų | 78.8 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 174.3 | -74.5 | 170.1 | 169.7 | 163.2 | 0 | 111.2 | E291 K292 A297 K298 I299 | E291-K295 PolarHBondContact O-N 3.24Å; E291-K295 WeakPolarHBondContact OE1-CE 3.31Å; E291-K295 IonicContact OE1-NZ 2.78Å; E291-K295 PolarHBondContact OE1-NZ 2.92Å; K292-K295 PolarHBondContact O-N 2.9Å; K295-A297 PolarHBondContact O-N 3.1Å; K295-K298 PolarHBondContact O-N 2.95Å; K295-I299 WeakPolarHBondContact O-CD1 3.36Å; K295-I299 VanDerWaalsContact O-CG1 3.24Å; K295-I299 WeakPolarHBondContact O-CG1 3.4Å; K295-I299 PolarHBondContact O-N 2.95Å |
| 296 | G | 55.3 | Low | 51 | Low | 41 Ų | 41 | 78.3 Ų | 78.3 | 42% | 0.423 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K292 I299 S300 | K292-G296 PolarHBondContact O-N 2.9Å; G296-I299 PolarHBondContact O-N 3.41Å; G296-S300 PolarHBondContact O-N 3.16Å; G296-S300 VanDerWaalsContact O-N 3.1Å |
| 297 | A | 51.6 | Low | 49.4 | Very low | 45 Ų | 45 | 84.4 Ų | 84.4 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68 | -36.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M293 N294 K295 S300 S301 | M293-A297 WeakPolarHBondContact O-CB 3.44Å; M293-A297 PolarHBondContact O-N 3.15Å; N294-A297 PolarHBondContact O-N 2.92Å; K295-A297 PolarHBondContact O-N 3.1Å; A297-S300 PolarHBondContact O-OG 3.45Å; A297-S301 PolarHBondContact O-N 2.94Å |
| 298 | K | 44.2 | Very low | 48 | Very low | 125 Ų | 125 | 88.1 Ų | 88.1 | 54% | 0.543 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 174.4 | -76.4 | -176 | 178.1 | -171.6 | 0 | 111.9 | N294 K295 S301 | N294-K298 WeakPolarHBondContact O-CG 3.37Å; N294-K298 PolarHBondContact O-N 3.27Å; K295-K298 PolarHBondContact O-N 2.95Å; K298-S301 PolarHBondContact O-N 3.22Å; K298-S301 PolarHBondContact O-OG 3Å |
| 299 | I | 45.1 | Very low | 46.5 | Very low | 126 Ų | 126 | 91.3 Ų | 91.3 | 65% | 0.646 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.4 | -39.6 | 177.2 | -66.8 | 163.6 | 0 | 0 | 0 | 110.8 | K295 G296 S301 I302 | K295-I299 WeakPolarHBondContact O-CD1 3.36Å; K295-I299 VanDerWaalsContact O-CG1 3.24Å; K295-I299 WeakPolarHBondContact O-CG1 3.4Å; K295-I299 PolarHBondContact O-N 2.95Å; G296-I299 PolarHBondContact O-N 3.41Å; I299-S301 PolarHBondContact O-N 3.4Å; I299-I302 PolarHBondContact O-N 3.33Å |
| 300 | S | 38.7 | Very low | 45.2 | Very low | 91 Ų | 91 | 92.1 Ų | 92.1 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -12 | 177 | 90.9 | 0 | 0 | 0 | 0 | 114 | G296 A297 | G296-S300 PolarHBondContact O-N 3.16Å; G296-S300 VanDerWaalsContact O-N 3.1Å; A297-S300 PolarHBondContact O-OG 3.45Å |
| 301 | S | 41.1 | Very low | 43.7 | Very low | 93 Ų | 93 | 95 Ų | 95 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -6.7 | 178 | 68.6 | 0 | 0 | 0 | 0 | 115.1 | A297 K298 I299 | A297-S301 PolarHBondContact O-N 2.94Å; K298-S301 PolarHBondContact O-N 3.22Å; K298-S301 PolarHBondContact O-OG 3Å; I299-S301 PolarHBondContact O-N 3.4Å |
| 302 | I | 38.7 | Very low | 42.4 | Very low | 142 Ų | 142 | 95 Ų | 95 | 73% | 0.728 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -102.8 | -1.4 | -176.6 | -60.2 | 176.2 | 0 | 0 | 0 | 112.2 | I299 | I299-I302 PolarHBondContact O-N 3.33Š|
| 303 | T | 38.5 | Very low | 41.1 | Very low | 113 Ų | 113 | 90.7 Ų | 90.7 | 69% | 0.693 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -141.5 | 125.8 | 174.2 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 304 | S | 29.4 | Very low | 40.2 | Very low | 109 Ų | 109 | 93.5 Ų | 93.5 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | trans | 83.3 | 105 | 177.6 | 78 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 305 | S | 34.4 | Very low | 39.4 | Very low | 112 Ų | 112 | 96.2 Ų | 96.2 | 78% | 0.783 | 65% | 0.649 | S | S | * | * | trans | -51.2 | 129.4 | 153 | 43.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 306 | S | 33.7 | Very low | 38.7 | Very low | 104 Ų | 104 | 93.7 Ų | 93.7 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 70.7 | 127.4 | 160.4 | 64.4 | 0 | 0 | 0 | 0 | 120.4 | ||
| 307 | V | 30.7 | Very low | 37.9 | Very low | 147 Ų | 147 | 92 Ų | 92 | 89% | 0.891 | 62% | 0.621 | S | S | * | * | trans | 101.2 | 103.5 | 153.8 | -166.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 308 | G | 37.3 | Very low | 37.3 | Very low | 77 Ų | 77 | 90.6 Ų | 90.6 | 79% | 0.794 | 61% | 0.611 | S | S | * | * | trans | 83.2 | 74.2 | 139.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 309 | A | 35.9 | Very low | 37.1 | Very low | 99 Ų | 99 | 89 Ų | 89 | 82% | 0.818 | 61% | 0.608 | S | S | * | * | trans | -151.9 | 48.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G311 | A309-G311 PolarHBondContact O-N 2.9Š| ||
| 310 | A | 34.4 | Very low | 36.9 | Very low | 113 Ų | 113 | 83.5 Ų | 83.5 | 93% | 0.934 | 58% | 0.582 | S | S | * | * | trans | -89.2 | 86.1 | 163 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 311 | G | 29.9 | Very low | 37 | Very low | 67 Ų | 67 | 80.4 Ų | 80.4 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -156.9 | -34.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | A309 | A309-G311 PolarHBondContact O-N 2.9Š|
| 312 | G | 34.8 | Very low | 37 | Very low | 50 Ų | 50 | 77.7 Ų | 77.7 | 52% | 0.515 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -92.2 | -5.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | I316 | G312-I316 WeakPolarHBondContact O-CD1 3.32Š|
| 313 | V | 35.9 | Very low | 37 | Very low | 67 Ų | 67 | 72.5 Ų | 72.5 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -24.1 | -159 | 180 | 0 | 0 | 0 | 0 | 114.2 | ||
| 314 | L | 36.9 | Very low | 37.2 | Very low | 102 Ų | 102 | 71.7 Ų | 71.7 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -35.4 | -177.3 | -91.2 | 96.7 | 0 | 0 | 0 | 114.4 | I316 K470 | L314-I316 PolarHBondContact O-N 3.04Å; L314-K470 VanDerWaalsContact CD2-CE 3.48Å |
| 315 | S | 41.6 | Very low | 37.2 | Very low | 82 Ų | 82 | 70.5 Ų | 70.5 | 57% | 0.573 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.7 | -34.1 | -174.2 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | V317 G318 L319 | S315-V317 VanDerWaalsContact C-N 3.3Å; S315-V317 PolarHBondContact O-N 3.08Å; S315-G318 PolarHBondContact O-N 3.37Å; S315-L319 WeakPolarHBondContact O-CB 3.49Å; S315-L319 WeakPolarHBondContact O-CD1 3.3Å; S315-L319 WeakPolarHBondContact O-CG 3.35Å; S315-L319 PolarHBondContact O-N 3.24Å |
| 316 | I | 43.8 | Very low | 36.9 | Very low | 62 Ų | 62 | 68.5 Ų | 68.5 | 32% | 0.318 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -76.7 | -20.5 | -166.3 | -58.5 | 167.7 | 0 | 0 | 0 | 112.5 | M293 G312 L314 L319 A320 | M293-I316 HydrophobicContact CE-CB 3.58Å; M293-I316 HydrophobicContact CE-CD1 3.24Å; M293-I316 HydrophobicContact CE-CG1 3.97Å; M293-I316 HydrophobicContact CE-CG2 3.46Å; M293-I316 VanDerWaalsContact CE-CG2 3.46Å; M293-I316 HydrophobicContact SD-CB 4.11Å; M293-I316 HydrophobicContact SD-CD1 4.17Å; M293-I316 HydrophobicContact SD-CG2 3.25Å; M293-I316 WeakPolarHBondContact SD-CG2 3.41Å; G312-I316 WeakPolarHBondContact O-CD1 3.32Å; L314-I316 PolarHBondContact O-N 3.04Å; I316-L319 CarbonylContact O-C 3.4Å; I316-L319 PolarHBondContact O-N 3.2Å; I316-A320 VanDerWaalsContact O-CB 3.29Å; I316-A320 WeakPolarHBondContact O-CB 3.34Å; I316-A320 PolarHBondContact O-N 3.22Å |
| 317 | V | 38.9 | Very low | 36.6 | Very low | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.03 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -88 | -35.1 | 178.3 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | L290 S315 L319 A320 S465 A469 | L290-V317 HydrophobicContact CD2-CG2 3.93Å; S315-V317 VanDerWaalsContact C-N 3.3Å; S315-V317 PolarHBondContact O-N 3.08Å; V317-L319 PolarHBondContact O-N 2.91Å; V317-A320 PolarHBondContact O-N 2.7Å; V317-S465 WeakPolarHBondContact CG1-O 3.49Å; V317-A469 HydrophobicContact CB-CB 3.43Å; V317-A469 VanDerWaalsContact CB-CB 3.43Å; V317-A469 HydrophobicContact CG1-CB 3.17Å; V317-A469 HydrophobicContact CG2-CB 3.11Å |
| 318 | G | 39.6 | Very low | 36.5 | Very low | 16 Ų | 16 | 69.3 Ų | 69.3 | 17% | 0.165 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -59.9 | -27.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S315 I322 | S315-G318 PolarHBondContact O-N 3.37Å; G318-I322 WeakPolarHBondContact O-CG1 3.41Å |
| 319 | L | 40.3 | Very low | 36.3 | Very low | 92 Ų | 92 | 70.4 Ų | 70.4 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -86.3 | -32 | 176.5 | -85.6 | 154.4 | 0 | 0 | 0 | 114.8 | S315 I316 V317 L321 I322 | S315-L319 WeakPolarHBondContact O-CB 3.49Å; S315-L319 WeakPolarHBondContact O-CD1 3.3Å; S315-L319 WeakPolarHBondContact O-CG 3.35Å; S315-L319 PolarHBondContact O-N 3.24Å; I316-L319 CarbonylContact O-C 3.4Å; I316-L319 PolarHBondContact O-N 3.2Å; V317-L319 PolarHBondContact O-N 2.91Å; L319-L321 PolarHBondContact O-N 3.47Å; L319-I322 HydrophobicContact CD2-CD1 3.76Å; L319-I322 HydrophobicContact CG-CD1 4.1Å; L319-I322 WeakPolarHBondContact O-CB 3.21Å; L319-I322 PolarHBondContact O-N 3.49Å |
| 320 | A | 40.1 | Very low | 36.4 | Very low | 10 Ų | 10 | 71.3 Ų | 71.3 | 8% | 0.083 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -70.5 | -10.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C286 L290 I316 V317 | C286-A320 WeakPolarHBondContact CB-O 3.37Å; C286-A320 PolarHBondContact SG-O 3.42Å; L290-A320 HydrophobicContact CD2-CB 4.2Å; L290-A320 HydrophobicContact CG-CB 4.32Å; I316-A320 VanDerWaalsContact O-CB 3.29Å; I316-A320 WeakPolarHBondContact O-CB 3.34Å; I316-A320 PolarHBondContact O-N 3.22Å; V317-A320 PolarHBondContact O-N 2.7Å |
| 321 | L | 40.8 | Very low | 36.4 | Very low | 27 Ų | 27 | 68.2 Ų | 68.2 | 14% | 0.141 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 8 | 171.6 | -67.4 | 171.8 | 0 | 0 | 0 | 112.9 | L319 A365 F369 I461 S465 | L319-L321 PolarHBondContact O-N 3.47Å; L321-A365 VanDerWaalsContact O-CB 3.28Å; L321-A365 WeakPolarHBondContact O-CB 3.25Å; L321-F369 HydrophobicContact CD2-CE2 4.42Å; L321-I461 HydrophobicContact CD1-CG2 3.68Å; L321-I461 WeakPolarHBondContact CD1-O 3.35Å; L321-I461 HydrophobicContact CD2-CG2 3.76Å; L321-I461 HydrophobicContact CG-CG2 4.3Å; L321-S465 WeakPolarHBondContact CD1-OG 3.28Å |
| 322 | I | 41.8 | Very low | 36.5 | Very low | 36 Ų | 36 | 72.9 Ų | 72.9 | 19% | 0.185 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -78.2 | 137 | 167.8 | -60.5 | -178.5 | 0 | 0 | 0 | 107.1 | G318 L319 V324 Q361 | G318-I322 WeakPolarHBondContact O-CG1 3.41Å; L319-I322 HydrophobicContact CD2-CD1 3.76Å; L319-I322 HydrophobicContact CG-CD1 4.1Å; L319-I322 WeakPolarHBondContact O-CB 3.21Å; L319-I322 PolarHBondContact O-N 3.49Å; I322-V324 PolarHBondContact O-N 3.05Å; I322-Q361 HydrophobicContact CD1-CB 4.49Å; I322-Q361 HydrophobicContact CD1-CG 3.87Å |
| 323 | P | 38.1 | Very low | 36.7 | Very low | 33 Ų | 33 | 77.1 Ų | 77.1 | 21% | 0.214 | 49% | 0.486 | C | S | . | . | trans | -60.1 | 126 | 171.3 | -16.9 | 29.2 | 0 | 0 | 0 | 111.1 | T325 V368 | P323-T325 HydrophobicContact CB-CG2 4.49Å; P323-T325 WeakPolarHBondContact CB-OG1 3.42Å; P323-T325 PolarHBondContact O-N 3.45Å; P323-V368 HydrophobicContact CB-CB 4.08Å; P323-V368 HydrophobicContact CB-CG1 4.1Å; P323-V368 HydrophobicContact CB-CG2 3.53Å; P323-V368 HydrophobicContact CG-CB 3.55Å; P323-V368 HydrophobicContact CG-CG1 4.07Å; P323-V368 HydrophobicContact CG-CG2 3.12Å | ||
| 324 | V | 42.3 | Very low | 36.7 | Very low | 96 Ų | 96 | 80.8 Ų | 80.8 | 58% | 0.582 | 50% | 0.502 | S | S | * | . | trans | -79.5 | 58.8 | 161.5 | -172.9 | 0 | 0 | 0 | 0 | 108 | I322 | I322-V324 PolarHBondContact O-N 3.05Š| ||
| 325 | T | 30.8 | Very low | 36.2 | Very low | 83 Ų | 83 | 80.6 Ų | 80.6 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | trans | -132.7 | 67.2 | -176.4 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | P323 | P323-T325 HydrophobicContact CB-CG2 4.49Å; P323-T325 WeakPolarHBondContact CB-OG1 3.42Å; P323-T325 PolarHBondContact O-N 3.45Å | ||
| 326 | A | 27.7 | Very low | 35.5 | Very low | 71 Ų | 71 | 80.3 Ų | 80.3 | 59% | 0.587 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -150.2 | 127.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | L328 | A326-L328 PolarHBondContact O-N 2.95Š|
| 327 | G | 27.7 | Very low | 34.8 | Very low | 73 Ų | 73 | 84 Ų | 84 | 75% | 0.753 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.9 | 137.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S329 | G327-S329 PolarHBondContact O-N 3.37Š|
| 328 | L | 29 | Very low | 34.2 | Very low | 194 Ų | 194 | 90.4 Ų | 90.4 | 100% | 1.016 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.3 | 10.4 | 166 | -66.7 | 174.5 | 0 | 0 | 0 | 119.5 | A326 | A326-L328 PolarHBondContact O-N 2.95Š|
| 329 | S | 33.2 | Very low | 34.1 | Very low | 101 Ų | 101 | 98.8 Ų | 98.8 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | -9.1 | -171 | -174.2 | 0 | 0 | 0 | 0 | 117.2 | G327 | G327-S329 PolarHBondContact O-N 3.37Š|
| 330 | V | 37.4 | Very low | 33.5 | Very low | 117 Ų | 117 | 97.6 Ų | 97.6 | 71% | 0.709 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -127 | 8.5 | 175.7 | -166.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 331 | G | 33.2 | Very low | 33.1 | Very low | 49 Ų | 49 | 103.5 Ų | 103.5 | 51% | 0.505 | 67% | 0.672 | S | S | . | * | trans | -87.6 | 0.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 332 | L | 32.4 | Very low | 32.6 | Very low | 164 Ų | 164 | 108.1 Ų | 108.1 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | trans | -107.6 | 67.1 | 178.6 | -126.1 | 86.6 | 0 | 0 | 0 | 111.7 | ||||
| 333 | T | 38.5 | Very low | 32 | Very low | 140 Ų | 140 | 112.3 Ų | 112.3 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | trans | -126.9 | 40.7 | 147 | -45.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 334 | I | 36 | Very low | 31.3 | Very low | 143 Ų | 143 | 114.5 Ų | 114.5 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -99.5 | 85.6 | 158.5 | -58.4 | 175.5 | 0 | 0 | 0 | 105.6 | ||||
| 335 | A | 28.2 | Very low | 30.7 | Very low | 98 Ų | 98 | 114.2 Ų | 114.2 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -169.5 | 107.7 | 155 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 336 | G | 26 | Very low | 30.5 | Very low | 76 Ų | 76 | 118.2 Ų | 118.2 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -173.6 | 12.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 337 | V | 29.8 | Very low | 30.5 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -145.5 | 89.2 | 153 | -170.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 338 | T | 25.7 | Very low | 30.5 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -140.4 | 118.8 | 148 | 49.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 339 | M | 38 | Very low | 30.3 | Very low | 193 Ų | 193 | 121.5 Ų | 121.5 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | trans | -58.3 | 134.4 | 163 | -67.4 | 161.6 | 67 | 0 | 0 | 108.8 | ||||
| 340 | G | 27.2 | Very low | 30.1 | Very low | 67 Ų | 67 | 121.7 Ų | 121.7 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 129.6 | 93 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 341 | V | 32 | Very low | 29.8 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | 36.8 | 108.7 | 140.7 | -129.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 342 | T | 30.8 | Very low | 29.5 | Very low | 124 Ų | 124 | 127 Ų | 127 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | 162.5 | 117.8 | 102.3 | 43.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 343 | S | 27.8 | Very low | 29.2 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | 54.3 | 123.5 | 148.4 | 65.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 344 | G | 24.7 | Very low | 28.9 | Very low | 78 Ų | 78 | 126.5 Ų | 126.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 143.5 | 112.1 | 146.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 345 | A | 28.5 | Very low | 28.8 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -68.8 | 161.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 346 | N | 26.3 | Very low | 29.2 | Very low | 167 Ų | 167 | 125.2 Ų | 125.2 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | 94.6 | 111.8 | -179.2 | -53.3 | -16.3 | 0 | 0 | 0 | 112.4 | ||||
| 347 | S | 27.6 | Very low | 29.9 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | -150.1 | 124.6 | 37.6 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 348 | L | 27.6 | Very low | 31 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -59.3 | 164.7 | 158.6 | -76.9 | 153.3 | 0 | 0 | 0 | 110.2 | ||||
| 349 | V | 25.8 | Very low | 32.1 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 87.8 | 113.6 | 166.1 | -169.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 350 | T | 29.5 | Very low | 32.6 | Very low | 106 Ų | 106 | 114.3 Ų | 114.3 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | cis | -154.7 | 110.8 | 28.1 | -36 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 351 | T | 30.4 | Very low | 33.6 | Very low | 142 Ų | 142 | 114.4 Ų | 114.4 | 87% | 0.871 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -97.2 | 91.9 | 154.2 | -49.9 | 0 | 0 | 0 | 0 | 105.2 | ||
| 352 | L | 26.7 | Very low | 34.4 | Very low | 134 Ų | 134 | 111 Ų | 111 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | trans | 165.1 | 102 | 159.9 | -92.6 | 155.2 | 0 | 0 | 0 | 109.1 | ||||
| 353 | T | 26.9 | Very low | 35.5 | Very low | 127 Ų | 127 | 111.5 Ų | 111.5 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | trans | -144.4 | 93.3 | 141.7 | -35.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 354 | E | 31.1 | Very low | 36.7 | Very low | 167 Ų | 167 | 110.6 Ų | 110.6 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | trans | -63.8 | 137.5 | 152.6 | -75.1 | -179.5 | 141.3 | 0 | 0 | 107.6 | ||||
| 355 | V | 34.5 | Very low | 38.1 | Very low | 146 Ų | 146 | 107.1 Ų | 107.1 | 89% | 0.885 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 70.9 | 98.3 | 174.2 | -167.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 356 | G | 35.3 | Very low | 39.5 | Very low | 68 Ų | 68 | 105 Ų | 105 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | trans | 144.4 | 65.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N358 | G356-N358 PolarHBondContact O-N 3.45Å; G356-N358 VanDerWaalsContact O-N 3.08Å | ||
| 357 | V | 42.3 | Very low | 41.1 | Very low | 91 Ų | 91 | 102.2 Ų | 102.2 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | trans | -64.8 | 111.6 | 163.6 | 172.5 | 0 | 0 | 0 | 0 | 107.1 | L466 | V357-L466 HydrophobicContact CB-CD2 4.2Å; V357-L466 HydrophobicContact CG1-CD1 4.4Å; V357-L466 HydrophobicContact CG1-CD2 4.19Å; V357-L466 HydrophobicContact CG2-CD1 3.72Å; V357-L466 HydrophobicContact CG2-CD2 3.89Å; V357-L466 HydrophobicContact CG2-CG 4.47Å | ||
| 358 | N | 51.8 | Low | 42.8 | Very low | 90 Ų | 90 | 98 Ų | 98 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | trans | -73.1 | 135.2 | -167.5 | -169.2 | -2.3 | 0 | 0 | 0 | 111 | G356 S360 Q361 | G356-N358 PolarHBondContact O-N 3.45Å; G356-N358 VanDerWaalsContact O-N 3.08Å; N358-S360 WeakPolarHBondContact ND2-CB 3.48Å; N358-S360 PolarHBondContact O-N 2.97Å; N358-S360 PolarHBondContact OD1-N 3.4Å; N358-Q361 PolarHBondContact O-N 3.23Å; N358-Q361 VanDerWaalsContact O-N 3.08Å | ||
| 359 | S | 49.8 | Very low | 44.7 | Very low | 91 Ų | 91 | 91.9 Ų | 91.9 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -52 | -24.6 | 169.8 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | K363 | S359-K363 WeakPolarHBondContact O-CB 3.29Å; S359-K363 PolarHBondContact O-N 3.34Å |
| 360 | S | 46.8 | Very low | 46.5 | Very low | 47 Ų | 47 | 86.4 Ų | 86.4 | 33% | 0.329 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 175.9 | -172.7 | 0 | 0 | 0 | 0 | 114.4 | N358 K364 | N358-S360 WeakPolarHBondContact ND2-CB 3.48Å; N358-S360 PolarHBondContact O-N 2.97Å; N358-S360 PolarHBondContact OD1-N 3.4Å; S360-K364 WeakPolarHBondContact O-CG 3.46Å; S360-K364 PolarHBondContact O-N 2.93Å |
| 361 | Q | 48.4 | Very low | 48.6 | Very low | 69 Ų | 69 | 86.9 Ų | 86.9 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73 | -41.4 | 179.3 | -72.3 | 179.1 | -25.2 | 0 | 0 | 111.2 | I322 N358 K363 K364 A365 | I322-Q361 HydrophobicContact CD1-CB 4.49Å; I322-Q361 HydrophobicContact CD1-CG 3.87Å; N358-Q361 PolarHBondContact O-N 3.23Å; N358-Q361 VanDerWaalsContact O-N 3.08Å; Q361-K363 VanDerWaalsContact C-N 3.35Å; Q361-K363 PolarHBondContact O-N 3.34Å; Q361-K364 PolarHBondContact O-N 3.42Å; Q361-A365 PolarHBondContact O-N 3.07Å; Q361-A365 VanDerWaalsContact O-N 3.09Å |
| 362 | Q | 49.6 | Very low | 50.9 | Low | 64 Ų | 64 | 80.5 Ų | 80.5 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 172.6 | 174.1 | 165.9 | 34.1 | 0 | 0 | 111.7 | K364 A365 N366 A462 | Q362-K364 PolarHBondContact O-N 2.95Å; Q362-A365 PolarHBondContact O-N 2.9Å; Q362-N366 WeakPolarHBondContact O-CB 3.31Å; Q362-N366 PolarHBondContact O-N 3.04Å; Q362-N366 PolarHBondContact O-OD1 3.13Å; Q362-N366 VanDerWaalsContact O-OD1 3.11Å; Q362-A462 HydrophobicContact CB-CB 4Å; Q362-A462 HydrophobicContact CG-CB 3.53Å |
| 363 | K | 53 | Low | 53.2 | Low | 133 Ų | 133 | 78 Ų | 78 | 58% | 0.578 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.3 | -44 | 177.9 | -169.7 | -177.6 | 178.8 | -169.6 | 0 | 112.2 | S359 Q361 N366 E367 | S359-K363 WeakPolarHBondContact O-CB 3.29Å; S359-K363 PolarHBondContact O-N 3.34Å; Q361-K363 VanDerWaalsContact C-N 3.35Å; Q361-K363 PolarHBondContact O-N 3.34Å; K363-N366 WeakPolarHBondContact O-CB 3.24Å; K363-N366 PolarHBondContact O-N 3.49Å; K363-E367 WeakPolarHBondContact CE-OE1 3.2Å; K363-E367 VanDerWaalsContact O-CG 3.31Å; K363-E367 WeakPolarHBondContact O-CG 3.49Å; K363-E367 PolarHBondContact O-N 2.91Å |
| 364 | K | 54.4 | Low | 55.7 | Low | 106 Ų | 106 | 77.2 Ų | 77.2 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 178.7 | -71.7 | 177.6 | -178.9 | -173.5 | 0 | 113.3 | S360 Q361 Q362 N366 E367 V368 | S360-K364 WeakPolarHBondContact O-CG 3.46Å; S360-K364 PolarHBondContact O-N 2.93Å; Q361-K364 PolarHBondContact O-N 3.42Å; Q362-K364 PolarHBondContact O-N 2.95Å; K364-N366 VanDerWaalsContact C-N 3.33Å; K364-E367 PolarHBondContact O-N 2.8Å; K364-V368 PolarHBondContact O-N 2.97Å |
| 365 | A | 54 | Low | 58.2 | Low | 4 Ų | 4 | 69.7 Ų | 69.7 | 3% | 0.033 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L321 Q361 Q362 E367 V368 F369 | L321-A365 VanDerWaalsContact O-CB 3.28Å; L321-A365 WeakPolarHBondContact O-CB 3.25Å; Q361-A365 PolarHBondContact O-N 3.07Å; Q361-A365 VanDerWaalsContact O-N 3.09Å; Q362-A365 PolarHBondContact O-N 2.9Å; A365-E367 PolarHBondContact O-N 3.45Å; A365-V368 PolarHBondContact O-N 3.11Å; A365-F369 WeakPolarHBondContact O-CD2 3.43Å; A365-F369 PolarHBondContact O-N 2.93Å |
| 366 | N | 57 | Low | 60.5 | Low | 48 Ų | 48 | 62.7 Ų | 62.7 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.1 | -65.8 | -0.1 | 0 | 0 | 0 | 112.4 | Q362 K363 K364 V368 G370 I458 | Q362-N366 WeakPolarHBondContact O-CB 3.31Å; Q362-N366 PolarHBondContact O-N 3.04Å; Q362-N366 PolarHBondContact O-OD1 3.13Å; Q362-N366 VanDerWaalsContact O-OD1 3.11Å; K363-N366 WeakPolarHBondContact O-CB 3.24Å; K363-N366 PolarHBondContact O-N 3.49Å; K364-N366 VanDerWaalsContact C-N 3.33Å; N366-V368 VanDerWaalsContact C-N 3.31Å; N366-V368 PolarHBondContact O-N 3.01Å; N366-G370 WeakPolarHBondContact O-CA 3.35Å; N366-G370 PolarHBondContact O-N 3.37Å; N366-I458 HydrophobicContact CB-CG2 3.55Å; N366-I458 WeakPolarHBondContact OD1-CG2 3.23Å; N366-I458 PolarHBondContact OD1-O 3.3Å |
| 367 | E | 60.1 | Low | 62.8 | Low | 107 Ų | 107 | 62.2 Ų | 62.2 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 177.4 | -77.1 | 166.7 | -174.6 | 0 | 0 | 111.8 | K363 K364 A365 K371 | K363-E367 WeakPolarHBondContact CE-OE1 3.2Å; K363-E367 VanDerWaalsContact O-CG 3.31Å; K363-E367 WeakPolarHBondContact O-CG 3.49Å; K363-E367 PolarHBondContact O-N 2.91Å; K364-E367 PolarHBondContact O-N 2.8Å; A365-E367 PolarHBondContact O-N 3.45Å; E367-K371 WeakPolarHBondContact O-CB 3.47Å; E367-K371 PolarHBondContact O-N 2.86Å |
| 368 | V | 63.9 | Low | 64.9 | Low | 31 Ų | 31 | 62.1 Ų | 62.1 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -81.6 | -39.1 | -177.3 | 171.7 | 0 | 0 | 0 | 0 | 113.5 | F279 P323 K364 A365 N366 G370 K371 F372 | F279-V368 HydrophobicContact CD2-CG1 3.92Å; F279-V368 HydrophobicContact CE2-CG1 3.78Å; P323-V368 HydrophobicContact CB-CB 4.08Å; P323-V368 HydrophobicContact CB-CG1 4.1Å; P323-V368 HydrophobicContact CB-CG2 3.53Å; P323-V368 HydrophobicContact CG-CB 3.55Å; P323-V368 HydrophobicContact CG-CG1 4.07Å; P323-V368 HydrophobicContact CG-CG2 3.12Å; K364-V368 PolarHBondContact O-N 2.97Å; A365-V368 PolarHBondContact O-N 3.11Å; N366-V368 VanDerWaalsContact C-N 3.31Å; N366-V368 PolarHBondContact O-N 3.01Å; V368-G370 VanDerWaalsContact C-N 3.26Å; V368-G370 PolarHBondContact O-N 3.34Å; V368-K371 PolarHBondContact O-N 3.44Å; V368-F372 PolarHBondContact O-N 2.95Å |
| 369 | F | 66.7 | Low | 66.6 | Low | 27 Ų | 27 | 57.8 Ų | 57.8 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 168.3 | -87.2 | -81.4 | 0 | 0 | 0 | 111.4 | F279 L321 A365 F372 Y373 I461 | F279-F369 HydrophobicContact CE1-CD1 4.4Å; F279-F369 HydrophobicContact CE1-CE1 4.14Å; F279-F369 AromaticContact CZ-CD1 3.68Å; F279-F369 HydrophobicContact CZ-CD1 3.68Å; F279-F369 HydrophobicContact CZ-CD2 4.49Å; F279-F369 AromaticContact CZ-CE1 3.5Å; F279-F369 HydrophobicContact CZ-CE1 3.5Å; F279-F369 HydrophobicContact CZ-CE2 4.32Å; F279-F369 HydrophobicContact CZ-CG 4.19Å; F279-F369 AromaticContact CZ-CZ 3.83Å; F279-F369 HydrophobicContact CZ-CZ 3.83Å; L321-F369 HydrophobicContact CD2-CE2 4.42Å; A365-F369 WeakPolarHBondContact O-CD2 3.43Å; A365-F369 PolarHBondContact O-N 2.93Å; F369-F372 PolarHBondContact O-N 2.86Å; F369-Y373 WeakPolarHBondContact O-CB 3.33Å; F369-Y373 PolarHBondContact O-N 3.08Å; F369-I461 HydrophobicContact CD1-CD1 3.98Å; F369-I461 HydrophobicContact CD2-CD1 4.43Å; F369-I461 HydrophobicContact CD2-CG2 4.44Å; F369-I461 HydrophobicContact CE1-CD1 3.71Å; F369-I461 HydrophobicContact CE2-CD1 4.22Å; F369-I461 HydrophobicContact CE2-CG2 3.8Å; F369-I461 HydrophobicContact CG-CD1 4.33Å; F369-I461 HydrophobicContact CZ-CD1 3.86Å; F369-I461 HydrophobicContact CZ-CG2 4.09Å |
| 370 | G | 64.6 | Low | 68.3 | Low | 16 Ų | 16 | 54.5 Ų | 54.5 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59 | -47.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N366 V368 F372 Y373 E374 | N366-G370 WeakPolarHBondContact O-CA 3.35Å; N366-G370 PolarHBondContact O-N 3.37Å; V368-G370 VanDerWaalsContact C-N 3.26Å; V368-G370 PolarHBondContact O-N 3.34Å; G370-F372 PolarHBondContact O-N 3Å; G370-Y373 WeakPolarHBondContact O-CB 3.13Å; G370-Y373 PolarHBondContact O-N 3.18Å; G370-E374 WeakPolarHBondContact O-CB 3.43Å; G370-E374 WeakPolarHBondContact O-CG 3.32Å; G370-E374 PolarHBondContact O-N 3.2Å |
| 371 | K | 73.1 | Confident | 70.1 | Confident | 117 Ų | 117 | 55.5 Ų | 55.5 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.1 | -173.3 | 177.2 | 179.4 | -179 | 0 | 113 | E367 V368 Y373 E374 D375 | E367-K371 WeakPolarHBondContact O-CB 3.47Å; E367-K371 PolarHBondContact O-N 2.86Å; V368-K371 PolarHBondContact O-N 3.44Å; K371-Y373 VanDerWaalsContact C-N 3.34Å; K371-E374 PolarHBondContact O-N 3.09Å; K371-D375 WeakPolarHBondContact O-CB 3.47Å; K371-D375 PolarHBondContact O-N 3.25Å |
| 372 | F | 78 | Confident | 72 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 174.6 | 170.4 | -98.3 | 0 | 0 | 0 | 111.2 | L276 F279 L280 V368 F369 G370 D375 F376 F453 F487 | L276-F372 HydrophobicContact CB-CE2 4.41Å; L276-F372 HydrophobicContact CD2-CD2 3.55Å; L276-F372 HydrophobicContact CD2-CE2 3.57Å; L276-F372 HydrophobicContact CD2-CG 4.47Å; L276-F372 HydrophobicContact CD2-CZ 4.48Å; F279-F372 HydrophobicContact CB-CD2 3.96Å; F279-F372 HydrophobicContact CD1-CB 3.99Å; F279-F372 HydrophobicContact CD1-CD1 4.16Å; F279-F372 AromaticContact CD1-CD2 3.13Å; F279-F372 HydrophobicContact CD1-CD2 3.13Å; F279-F372 HydrophobicContact CD1-CE1 4.49Å; F279-F372 AromaticContact CD1-CE2 3.54Å; F279-F372 HydrophobicContact CD1-CE2 3.54Å; F279-F372 AromaticContact CD1-CG 3.48Å; F279-F372 HydrophobicContact CD1-CG 3.48Å; F279-F372 VanDerWaalsContact CD1-CG 3.48Å; F279-F372 HydrophobicContact CD1-CZ 4.21Å; F279-F372 HydrophobicContact CD2-CB 4.22Å; F279-F372 HydrophobicContact CE1-CB 4.01Å; F279-F372 AromaticContact CE1-CD1 3.85Å; F279-F372 HydrophobicContact CE1-CD1 3.85Å; F279-F372 AromaticContact CE1-CD2 3.71Å; F279-F372 HydrophobicContact CE1-CD2 3.71Å; F279-F372 HydrophobicContact CE1-CE1 4.25Å; F279-F372 HydrophobicContact CE1-CE2 4.11Å; F279-F372 AromaticContact CE1-CG 3.55Å; F279-F372 HydrophobicContact CE1-CG 3.55Å; F279-F372 HydrophobicContact CE1-CZ 4.37Å; F279-F372 HydrophobicContact CE2-CB 4.26Å; F279-F372 HydrophobicContact CG-CB 4.09Å; F279-F372 AromaticContact CG-CD2 3.64Å; F279-F372 HydrophobicContact CG-CD2 3.64Å; F279-F372 HydrophobicContact CG-CE2 4.36Å; F279-F372 HydrophobicContact CG-CG 4.02Å; F279-F372 HydrophobicContact CZ-CB 4.14Å; F279-F372 HydrophobicContact CZ-CG 4.18Å; L280-F372 HydrophobicContact CD2-CE2 4.06Å; L280-F372 HydrophobicContact CD2-CZ 4.08Å; L280-F372 HydrophobicContact CG-CE2 4.37Å; V368-F372 PolarHBondContact O-N 2.95Å; F369-F372 PolarHBondContact O-N 2.86Å; G370-F372 PolarHBondContact O-N 3Å; F372-D375 PolarHBondContact O-N 2.87Å; F372-F376 HydrophobicContact CZ-CD2 4.14Å; F372-F376 WeakPolarHBondContact O-CB 3.16Å; F372-F376 PolarHBondContact O-N 3.27Å; F372-F453 AromaticContact CD1-CE1 3.92Å; F372-F453 HydrophobicContact CD1-CE1 3.92Å; F372-F453 HydrophobicContact CD1-CZ 4.09Å; F372-F453 AromaticContact CE1-CE1 3.75Å; F372-F453 HydrophobicContact CE1-CE1 3.75Å; F372-F453 AromaticContact CE1-CZ 3.71Å; F372-F453 HydrophobicContact CE1-CZ 3.71Å; F372-F487 HydrophobicContact CE1-CD1 4.03Å; F372-F487 HydrophobicContact CE1-CD2 4.27Å; F372-F487 AromaticContact CE1-CE1 3.76Å; F372-F487 HydrophobicContact CE1-CE1 3.76Å; F372-F487 HydrophobicContact CE1-CE2 4.06Å; F372-F487 HydrophobicContact CE1-CG 4.28Å; F372-F487 AromaticContact CE1-CZ 3.8Å; F372-F487 HydrophobicContact CE1-CZ 3.8Å; F372-F487 HydrophobicContact CZ-CB 4.32Å; F372-F487 AromaticContact CZ-CD1 3.66Å; F372-F487 HydrophobicContact CZ-CD1 3.66Å; F372-F487 HydrophobicContact CZ-CD2 4.1Å; F372-F487 AromaticContact CZ-CE1 3.89Å; F372-F487 HydrophobicContact CZ-CE1 3.89Å; F372-F487 HydrophobicContact CZ-CE2 4.34Å; F372-F487 AromaticContact CZ-CG 3.78Å; F372-F487 HydrophobicContact CZ-CG 3.78Å; F372-F487 HydrophobicContact CZ-CZ 4.24Å |
| 373 | Y | 76 | Confident | 73.8 | Confident | 83 Ų | 83 | 50 Ų | 50 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59 | -47.4 | 175.7 | 173.7 | -90.2 | 0 | 0 | 0 | 111.4 | F369 G370 K371 F376 Q377 F453 | F369-Y373 WeakPolarHBondContact O-CB 3.33Å; F369-Y373 PolarHBondContact O-N 3.08Å; G370-Y373 WeakPolarHBondContact O-CB 3.13Å; G370-Y373 PolarHBondContact O-N 3.18Å; K371-Y373 VanDerWaalsContact C-N 3.34Å; Y373-F376 PolarHBondContact O-N 3.48Å; Y373-Q377 WeakPolarHBondContact O-CB 3.48Å; Y373-Q377 PolarHBondContact O-N 3.35Å; Y373-Q377 PolarHBondContact OH-OE1 2.85Å; Y373-F453 AromaticContact CD2-CD1 3.74Å; Y373-F453 HydrophobicContact CD2-CD1 3.74Å; Y373-F453 AromaticContact CD2-CD2 3.94Å; Y373-F453 HydrophobicContact CD2-CD2 3.94Å; Y373-F453 AromaticContact CD2-CE1 3.65Å; Y373-F453 HydrophobicContact CD2-CE1 3.65Å; Y373-F453 AromaticContact CD2-CE2 3.81Å; Y373-F453 HydrophobicContact CD2-CE2 3.81Å; Y373-F453 AromaticContact CD2-CG 3.9Å; Y373-F453 HydrophobicContact CD2-CG 3.9Å; Y373-F453 AromaticContact CD2-CZ 3.68Å; Y373-F453 HydrophobicContact CD2-CZ 3.68Å; Y373-F453 HydrophobicContact CE2-CD1 4.48Å; Y373-F453 HydrophobicContact CE2-CD2 4.09Å; Y373-F453 HydrophobicContact CE2-CE2 4.25Å; Y373-F453 HydrophobicContact CE2-CG 4.2Å; Y373-F453 HydrophobicContact CG-CE1 4.34Å; Y373-F453 HydrophobicContact CG-CZ 4.38Å |
| 374 | E | 79.2 | Confident | 75.2 | Confident | 110 Ų | 110 | 43.9 Ų | 43.9 | 51% | 0.514 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.5 | -47.8 | 176.8 | -74.7 | 173 | -167.9 | 0 | 0 | 112.1 | G370 K371 F376 Q377 K378 | G370-E374 WeakPolarHBondContact O-CB 3.43Å; G370-E374 WeakPolarHBondContact O-CG 3.32Å; G370-E374 PolarHBondContact O-N 3.2Å; K371-E374 PolarHBondContact O-N 3.09Å; E374-F376 VanDerWaalsContact C-N 3.33Å; E374-F376 PolarHBondContact O-N 3.28Å; E374-Q377 PolarHBondContact O-N 2.84Å; E374-K378 VanDerWaalsContact O-CG 3.28Å; E374-K378 WeakPolarHBondContact O-CG 3.34Å; E374-K378 PolarHBondContact O-N 3.27Å |
| 375 | D | 83.7 | Confident | 76.7 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67 | -36 | -179.4 | -70.9 | -18.1 | 0 | 0 | 0 | 111.2 | Q272 L276 K371 F372 K378 | Q272-D375 HydrophobicContact CB-CB 4.43Å; Q272-D375 HydrophobicContact CG-CB 4.39Å; Q272-D375 VanDerWaalsContact OE1-CG 3.31Å; Q272-D375 PolarHBondContact OE1-OD1 2.85Å; L276-D375 HydrophobicContact CD2-CB 4.01Å; K371-D375 WeakPolarHBondContact O-CB 3.47Å; K371-D375 PolarHBondContact O-N 3.25Å; F372-D375 PolarHBondContact O-N 2.87Å; D375-K378 IonicContact OD1-NZ 2.78Å; D375-K378 PolarHBondContact OD1-NZ 3.14Å |
| 376 | F | 83.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.6 | -43.8 | 175.4 | -167 | -91 | 0 | 0 | 0 | 111.7 | L276 F372 Y373 E374 K378 V379 Q380 N450 L452 F453 F487 Q490 I491 W494 | L276-F376 HydrophobicContact CD1-CD2 4.23Å; L276-F376 HydrophobicContact CD2-CB 3.94Å; L276-F376 HydrophobicContact CD2-CD2 4.21Å; F372-F376 HydrophobicContact CZ-CD2 4.14Å; F372-F376 WeakPolarHBondContact O-CB 3.16Å; F372-F376 PolarHBondContact O-N 3.27Å; Y373-F376 PolarHBondContact O-N 3.48Å; E374-F376 VanDerWaalsContact C-N 3.33Å; E374-F376 PolarHBondContact O-N 3.28Å; F376-K378 VanDerWaalsContact C-N 3.34Å; F376-K378 PolarHBondContact O-N 3.4Å; F376-V379 PolarHBondContact O-N 3.34Å; F376-Q380 PolarHBondContact O-N 2.88Å; F376-Q380 VanDerWaalsContact O-N 3.11Å; F376-N450 VanDerWaalsContact CD1-ND2 3.33Å; F376-N450 WeakPolarHBondContact CD1-ND2 3.27Å; F376-N450 WeakPolarHBondContact CE1-ND2 3.13Å; F376-L452 HydrophobicContact CE1-CD1 3.73Å; F376-L452 HydrophobicContact CE2-CD1 4.43Å; F376-L452 HydrophobicContact CZ-CD1 3.34Å; F376-F453 HydrophobicContact CB-CZ 4.18Å; F376-F453 AromaticContact CD1-CE2 3.58Å; F376-F453 HydrophobicContact CD1-CE2 3.58Å; F376-F453 HydrophobicContact CD1-CZ 4.01Å; F376-F453 HydrophobicContact CE1-CE2 4.04Å; F376-F453 HydrophobicContact CG-CE2 4.2Å; F376-F453 HydrophobicContact CG-CZ 4.16Å; F376-F487 HydrophobicContact CD1-CE1 4.48Å; F376-F487 HydrophobicContact CD2-CD1 4.03Å; F376-F487 HydrophobicContact CD2-CE1 4.33Å; F376-F487 HydrophobicContact CE1-CD1 4.37Å; F376-F487 HydrophobicContact CE1-CE1 4.16Å; F376-F487 AromaticContact CE2-CD1 3.52Å; F376-F487 HydrophobicContact CE2-CD1 3.52Å; F376-F487 HydrophobicContact CE2-CE1 4.05Å; F376-F487 AromaticContact CZ-CD1 3.7Å; F376-F487 HydrophobicContact CZ-CD1 3.7Å; F376-F487 AromaticContact CZ-CE1 3.95Å; F376-F487 HydrophobicContact CZ-CE1 3.95Å; F376-Q490 HydrophobicContact CE2-CG 4.33Å; F376-Q490 HydrophobicContact CZ-CB 4.2Å; F376-Q490 HydrophobicContact CZ-CG 3.69Å; F376-I491 HydrophobicContact CE2-CG1 4.21Å; F376-W494 AromaticContact CD1-CH2 3.74Å; F376-W494 HydrophobicContact CD1-CH2 3.74Å; F376-W494 AromaticContact CD2-CH2 3.63Å; F376-W494 HydrophobicContact CD2-CH2 3.63Å; F376-W494 AromaticContact CD2-CZ3 3.62Å; F376-W494 HydrophobicContact CD2-CZ3 3.62Å; F376-W494 AromaticContact CE1-CH2 3.46Å; F376-W494 HydrophobicContact CE1-CH2 3.46Å; F376-W494 VanDerWaalsContact CE1-CH2 3.46Å; F376-W494 HydrophobicContact CE1-CZ2 4.06Å; F376-W494 HydrophobicContact CE1-CZ3 4.36Å; F376-W494 HydrophobicContact CE2-CE3 4.45Å; F376-W494 AromaticContact CE2-CH2 3.3Å; F376-W494 HydrophobicContact CE2-CH2 3.3Å; F376-W494 HydrophobicContact CE2-CZ2 4.35Å; F376-W494 AromaticContact CE2-CZ3 3.35Å; F376-W494 HydrophobicContact CE2-CZ3 3.35Å; F376-W494 AromaticContact CG-CH2 3.83Å; F376-W494 HydrophobicContact CG-CH2 3.83Å; F376-W494 HydrophobicContact CG-CZ3 4.22Å; F376-W494 AromaticContact CZ-CH2 3.22Å; F376-W494 HydrophobicContact CZ-CH2 3.22Å; F376-W494 AromaticContact CZ-CZ2 3.92Å; F376-W494 HydrophobicContact CZ-CZ2 3.92Å; F376-W494 AromaticContact CZ-CZ3 3.78Å; F376-W494 HydrophobicContact CZ-CZ3 3.78Å |
| 377 | Q | 82.4 | Confident | 79.4 | Confident | 57 Ų | 57 | 42.5 Ų | 42.5 | 27% | 0.266 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.3 | -37.3 | -180 | -170.9 | 179.2 | -2.4 | 0 | 0 | 111.2 | Y373 E374 V379 Q380 D381 | Y373-Q377 WeakPolarHBondContact O-CB 3.48Å; Y373-Q377 PolarHBondContact O-N 3.35Å; Y373-Q377 PolarHBondContact OH-OE1 2.85Å; E374-Q377 PolarHBondContact O-N 2.84Å; Q377-V379 VanDerWaalsContact C-N 3.27Å; Q377-V379 PolarHBondContact O-N 3.49Å; Q377-Q380 PolarHBondContact O-N 3Å; Q377-Q380 VanDerWaalsContact O-N 3.17Å; Q377-D381 VanDerWaalsContact O-CB 3.3Å; Q377-D381 WeakPolarHBondContact O-CB 3.5Å; Q377-D381 PolarHBondContact O-N 3.48Å |
| 378 | K | 87.6 | Confident | 80.3 | Confident | 89 Ų | 89 | 41.1 Ų | 41.1 | 39% | 0.387 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -55.3 | -42.5 | 174.1 | -74.6 | 167.7 | -162.8 | 159.9 | 0 | 112.7 | I268 E374 D375 F376 S382 | I268-K378 HydrophobicContact CG2-CB 4.08Å; E374-K378 VanDerWaalsContact O-CG 3.28Å; E374-K378 WeakPolarHBondContact O-CG 3.34Å; E374-K378 PolarHBondContact O-N 3.27Å; D375-K378 IonicContact OD1-NZ 2.78Å; D375-K378 PolarHBondContact OD1-NZ 3.14Å; F376-K378 VanDerWaalsContact C-N 3.34Å; F376-K378 PolarHBondContact O-N 3.4Å; K378-S382 PolarHBondContact O-N 3.02Å |
| 379 | V | 88.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.5 | -47.7 | 177.6 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | F265 I268 F269 Q272 L276 F376 Q377 S382 L383 W494 | F265-V379 HydrophobicContact CE2-CG1 3.89Å; I268-V379 HydrophobicContact CG2-CG2 4.12Å; F269-V379 HydrophobicContact CD2-CG1 3.9Å; F269-V379 HydrophobicContact CD2-CG2 4.43Å; Q272-V379 HydrophobicContact CB-CG2 3.86Å; Q272-V379 HydrophobicContact CG-CG2 4.11Å; L276-V379 HydrophobicContact CD1-CG2 4.4Å; F376-V379 PolarHBondContact O-N 3.34Å; Q377-V379 VanDerWaalsContact C-N 3.27Å; Q377-V379 PolarHBondContact O-N 3.49Å; V379-S382 PolarHBondContact O-N 2.87Å; V379-S382 PolarHBondContact O-OG 2.91Å; V379-L383 PolarHBondContact O-N 3.26Å; V379-W494 HydrophobicContact CB-CE3 4.15Å; V379-W494 HydrophobicContact CB-CH2 3.94Å; V379-W494 HydrophobicContact CB-CZ2 4.35Å; V379-W494 HydrophobicContact CB-CZ3 3.85Å; V379-W494 HydrophobicContact CG1-CD2 3.55Å; V379-W494 HydrophobicContact CG1-CE3 3.53Å; V379-W494 HydrophobicContact CG1-CG 4.08Å; V379-W494 HydrophobicContact CG1-CH2 4.01Å; V379-W494 HydrophobicContact CG1-CZ2 4.07Å; V379-W494 HydrophobicContact CG1-CZ3 3.76Å; V379-W494 HydrophobicContact CG2-CZ3 4.4Å |
| 380 | Q | 84.7 | Confident | 80.6 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 178 | -175.4 | 67.8 | 45.1 | 0 | 0 | 112.1 | F376 Q377 S382 L383 D384 W494 | F376-Q380 PolarHBondContact O-N 2.88Å; F376-Q380 VanDerWaalsContact O-N 3.11Å; Q377-Q380 PolarHBondContact O-N 3Å; Q377-Q380 VanDerWaalsContact O-N 3.17Å; Q380-S382 PolarHBondContact O-N 2.92Å; Q380-L383 PolarHBondContact O-N 3.15Å; Q380-D384 PolarHBondContact NE2-OD1 3.4Å; Q380-D384 PolarHBondContact O-N 2.79Å; Q380-W494 HydrophobicContact CB-CZ2 4.18Å |
| 381 | D | 84.4 | Confident | 80.3 | Confident | 69 Ų | 69 | 41.7 Ų | 41.7 | 37% | 0.369 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.8 | -34.8 | -178.5 | -74.1 | -13.4 | 0 | 0 | 0 | 111.4 | Q377 D384 E385 | Q377-D381 VanDerWaalsContact O-CB 3.3Å; Q377-D381 WeakPolarHBondContact O-CB 3.5Å; Q377-D381 PolarHBondContact O-N 3.48Å; D381-D384 PolarHBondContact O-N 3.42Å; D381-E385 PolarHBondContact O-N 3.29Å |
| 382 | S | 88.8 | Confident | 79.1 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69 | -29.6 | 177.5 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | F265 K378 V379 Q380 | F265-S382 WeakPolarHBondContact CD2-OG 3.49Å; K378-S382 PolarHBondContact O-N 3.02Å; V379-S382 PolarHBondContact O-N 2.87Å; V379-S382 PolarHBondContact O-OG 2.91Å; Q380-S382 PolarHBondContact O-N 2.92Å |
| 383 | L | 87.6 | Confident | 77.5 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -80.9 | -36.4 | 170.5 | -67.5 | 175.7 | 0 | 0 | 0 | 111.4 | L166 F257 F265 V379 Q380 E385 V386 M387 W494 I497 | L166-L383 HydrophobicContact CD1-CD2 4.44Å; F257-L383 HydrophobicContact CE1-CD2 4.15Å; F257-L383 HydrophobicContact CZ-CD2 3.75Å; F265-L383 HydrophobicContact CD2-CD1 4.34Å; F265-L383 HydrophobicContact CD2-CD2 3.52Å; F265-L383 HydrophobicContact CD2-CG 3.68Å; F265-L383 HydrophobicContact CE2-CD1 3.76Å; F265-L383 HydrophobicContact CE2-CD2 3.65Å; F265-L383 HydrophobicContact CE2-CG 3.63Å; F265-L383 HydrophobicContact CG-CD2 4.02Å; F265-L383 HydrophobicContact CZ-CD1 4.41Å; F265-L383 HydrophobicContact CZ-CD2 4.22Å; V379-L383 PolarHBondContact O-N 3.26Å; Q380-L383 PolarHBondContact O-N 3.15Å; L383-E385 PolarHBondContact O-N 3.36Å; L383-V386 WeakPolarHBondContact O-CB 3.35Å; L383-V386 PolarHBondContact O-N 3.47Å; L383-V386 VanDerWaalsContact O-N 3.12Å; L383-M387 PolarHBondContact O-N 3.02Å; L383-W494 VanDerWaalsContact CD1-CD1 3.5Å; L383-I497 HydrophobicContact CD1-CD1 4.42Å |
| 384 | D | 82.8 | Confident | 76 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -33.6 | 176.2 | -69.9 | -1.5 | 0 | 0 | 0 | 111.9 | Q380 D381 V386 M387 K388 A448 | Q380-D384 PolarHBondContact NE2-OD1 3.4Å; Q380-D384 PolarHBondContact O-N 2.79Å; D381-D384 PolarHBondContact O-N 3.42Å; D384-V386 VanDerWaalsContact C-N 3.29Å; D384-V386 PolarHBondContact O-N 3.5Å; D384-M387 PolarHBondContact O-N 2.82Å; D384-M387 VanDerWaalsContact OD1-CE 3.29Å; D384-M387 WeakPolarHBondContact OD1-CE 3.41Å; D384-K388 WeakPolarHBondContact O-CB 3.42Å; D384-K388 WeakPolarHBondContact O-CD 3.3Å; D384-K388 WeakPolarHBondContact O-CG 3.4Å; D384-K388 PolarHBondContact O-N 2.97Å; D384-A448 WeakPolarHBondContact OD2-CB 3.44Å |
| 385 | E | 84.9 | Confident | 74 | Confident | 121 Ų | 121 | 46.4 Ų | 46.4 | 57% | 0.565 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -59 | -40.8 | 173.5 | -172.2 | 176.2 | 174.3 | 0 | 0 | 112.1 | V260 D381 L383 K388 | V260-E385 HydrophobicContact CG2-CG 4.39Å; D381-E385 PolarHBondContact O-N 3.29Å; L383-E385 PolarHBondContact O-N 3.36Å; E385-K388 PolarHBondContact O-N 2.99Å |
| 386 | V | 83.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -48.9 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | P163 L166 L256 F257 V260 L383 D384 K388 Q389 | P163-V386 HydrophobicContact CB-CG1 4.14Å; L166-V386 HydrophobicContact CD1-CB 3.85Å; L166-V386 HydrophobicContact CD1-CG1 3.47Å; L166-V386 VanDerWaalsContact CD1-CG1 3.47Å; L166-V386 HydrophobicContact CD1-CG2 4.41Å; L256-V386 WeakPolarHBondContact O-CG1 3.43Å; F257-V386 HydrophobicContact CD1-CG1 4.41Å; F257-V386 HydrophobicContact CD1-CG2 3.52Å; F257-V386 HydrophobicContact CE1-CG2 3.74Å; F257-V386 HydrophobicContact CG-CG1 4.46Å; F257-V386 HydrophobicContact CG-CG2 4.33Å; V260-V386 HydrophobicContact CB-CG2 3.95Å; V260-V386 HydrophobicContact CG1-CG2 3.73Å; V260-V386 HydrophobicContact CG2-CG2 4.31Å; L383-V386 WeakPolarHBondContact O-CB 3.35Å; L383-V386 PolarHBondContact O-N 3.47Å; L383-V386 VanDerWaalsContact O-N 3.12Å; D384-V386 VanDerWaalsContact C-N 3.29Å; D384-V386 PolarHBondContact O-N 3.5Å; V386-K388 VanDerWaalsContact C-N 3.29Å; V386-K388 PolarHBondContact O-N 2.88Å; V386-Q389 WeakPolarHBondContact O-CB 3.38Å; V386-Q389 WeakPolarHBondContact O-CG 3.45Å; V386-Q389 PolarHBondContact O-N 3.29Å |
| 387 | M | 83.8 | Confident | 69.4 | Low | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.6 | -29.3 | -179 | -67.2 | -173.3 | -74.2 | 0 | 0 | 113.2 | P163 L164 L166 E167 L383 D384 Q389 V390 | P163-M387 WeakPolarHBondContact O-CG 3.39Å; L164-M387 HydrophobicContact CD2-CB 4.34Å; L166-M387 HydrophobicContact CB-CG 4.28Å; L166-M387 HydrophobicContact CB-SD 4.26Å; E167-M387 HydrophobicContact CB-SD 4.07Å; L383-M387 PolarHBondContact O-N 3.02Å; D384-M387 PolarHBondContact O-N 2.82Å; D384-M387 VanDerWaalsContact OD1-CE 3.29Å; D384-M387 WeakPolarHBondContact OD1-CE 3.41Å; M387-Q389 PolarHBondContact O-N 3.33Å; M387-V390 PolarHBondContact O-N 2.95Å |
| 388 | K | 79.5 | Confident | 67.3 | Low | 78 Ų | 78 | 56.2 Ų | 56.2 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.6 | -19.8 | 178.8 | -78.6 | 164.9 | -173.7 | 163.5 | 0 | 113.8 | D384 E385 V386 V390 I391 N392 | D384-K388 WeakPolarHBondContact O-CB 3.42Å; D384-K388 WeakPolarHBondContact O-CD 3.3Å; D384-K388 WeakPolarHBondContact O-CG 3.4Å; D384-K388 PolarHBondContact O-N 2.97Å; E385-K388 PolarHBondContact O-N 2.99Å; V386-K388 VanDerWaalsContact C-N 3.29Å; V386-K388 PolarHBondContact O-N 2.88Å; K388-V390 PolarHBondContact O-N 3.26Å; K388-I391 HydrophobicContact CG-CD1 4.49Å; K388-I391 WeakPolarHBondContact O-CB 3.37Å; K388-I391 PolarHBondContact O-N 2.85Å; K388-N392 PolarHBondContact O-N 3.13Å |
| 389 | Q | 71.6 | Confident | 64.4 | Low | 50 Ų | 50 | 61 Ų | 61 | 23% | 0.234 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36.8 | 177.9 | -64.3 | -169.7 | -26.7 | 0 | 0 | 112.7 | V260 V386 M387 I391 | V260-Q389 HydrophobicContact CG2-CG 4.2Å; V386-Q389 WeakPolarHBondContact O-CB 3.38Å; V386-Q389 WeakPolarHBondContact O-CG 3.45Å; V386-Q389 PolarHBondContact O-N 3.29Å; M387-Q389 PolarHBondContact O-N 3.33Å; Q389-I391 PolarHBondContact O-N 3.45Å |
| 390 | V | 65.4 | Low | 61.7 | Low | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -22 | -179.4 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | Q160 P163 L164 I203 M387 K388 | Q160-V390 VanDerWaalsContact O-CG2 3.24Å; Q160-V390 WeakPolarHBondContact O-CG2 3.48Å; P163-V390 HydrophobicContact CB-CG2 3.77Å; P163-V390 HydrophobicContact CG-CG2 3.71Å; L164-V390 HydrophobicContact CD1-CG1 4.06Å; L164-V390 HydrophobicContact CD2-CB 4.28Å; L164-V390 HydrophobicContact CD2-CG2 4.36Å; L164-V390 HydrophobicContact CG-CB 4.27Å; L164-V390 HydrophobicContact CG-CG1 4.26Å; L164-V390 HydrophobicContact CG-CG2 4.13Å; I203-V390 HydrophobicContact CD1-CG1 4.04Å; M387-V390 PolarHBondContact O-N 2.95Å; K388-V390 PolarHBondContact O-N 3.26Å |
| 391 | I | 56.7 | Low | 59.1 | Low | 33 Ų | 33 | 70.7 Ų | 70.7 | 17% | 0.169 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -32.9 | -173.4 | -47.4 | -169.9 | 0 | 0 | 0 | 112.1 | R199 K388 Q389 L393 E394 Q395 F446 | R199-I391 VanDerWaalsContact NH2-CG1 3.31Å; K388-I391 HydrophobicContact CG-CD1 4.49Å; K388-I391 WeakPolarHBondContact O-CB 3.37Å; K388-I391 PolarHBondContact O-N 2.85Å; Q389-I391 PolarHBondContact O-N 3.45Å; I391-L393 PolarHBondContact O-N 2.91Å; I391-E394 WeakPolarHBondContact O-CA 3.41Å; I391-E394 WeakPolarHBondContact O-CB 3.38Å; I391-E394 PolarHBondContact O-N 3.22Å; I391-Q395 PolarHBondContact O-N 3.32Å; I391-F446 HydrophobicContact CD1-CD2 3.39Å; I391-F446 HydrophobicContact CD1-CE2 3.33Å; I391-F446 HydrophobicContact CD1-CG 4.42Å; I391-F446 HydrophobicContact CD1-CZ 4.3Å |
| 392 | N | 48.3 | Very low | 56.4 | Low | 118 Ų | 118 | 72.5 Ų | 72.5 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.6 | 176.5 | -69.8 | -24.3 | 0 | 0 | 0 | 112.1 | K388 | K388-N392 PolarHBondContact O-N 3.13Š|
| 393 | L | 44.8 | Very low | 53.5 | Low | 94 Ų | 94 | 74.3 Ų | 74.3 | 49% | 0.492 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -23.6 | 168.5 | -72.5 | 151.5 | 0 | 0 | 0 | 112.8 | Q160 I391 S396 | Q160-L393 HydrophobicContact CG-CD1 4.16Å; I391-L393 PolarHBondContact O-N 2.91Å; L393-S396 PolarHBondContact O-OG 3.39Å |
| 394 | E | 43.9 | Very low | 50.7 | Low | 42 Ų | 42 | 79 Ų | 79 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -30.8 | -179.8 | -68.4 | -174.7 | 132.3 | 0 | 0 | 112.9 | R199 I391 S396 N397 I398 | R199-E394 IonicContact NH2-OE2 2.86Å; R199-E394 PolarHBondContact NH2-OE2 2.94Å; I391-E394 WeakPolarHBondContact O-CA 3.41Å; I391-E394 WeakPolarHBondContact O-CB 3.38Å; I391-E394 PolarHBondContact O-N 3.22Å; E394-S396 PolarHBondContact O-N 3.06Å; E394-N397 PolarHBondContact O-N 2.93Å; E394-I398 HydrophobicContact CB-CD1 3.82Å; E394-I398 HydrophobicContact CB-CG1 4.32Å; E394-I398 HydrophobicContact CG-CD1 3.66Å; E394-I398 PolarHBondContact O-N 3.43Å; E394-I398 VanDerWaalsContact O-N 3.09Å |
| 395 | Q | 37 | Very low | 48 | Very low | 162 Ų | 162 | 84.3 Ų | 84.3 | 76% | 0.757 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.9 | -178.1 | -85.7 | -179.3 | -11.6 | 0 | 0 | 114.3 | I391 | I391-Q395 PolarHBondContact O-N 3.32Š|
| 396 | S | 36.3 | Very low | 45.3 | Very low | 87 Ų | 87 | 88.1 Ų | 88.1 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -22.3 | 175.8 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | L393 E394 | L393-S396 PolarHBondContact O-OG 3.39Å; E394-S396 PolarHBondContact O-N 3.06Å |
| 397 | N | 35.3 | Very low | 42.6 | Very low | 130 Ų | 130 | 93.2 Ų | 93.2 | 70% | 0.695 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | -11.3 | -168 | -74.3 | -19 | 0 | 0 | 0 | 116 | E394 | E394-N397 PolarHBondContact O-N 2.93Š|
| 398 | I | 37 | Very low | 39.8 | Very low | 54 Ų | 54 | 96.9 Ų | 96.9 | 28% | 0.277 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -103.1 | 5.2 | -173.6 | -60.1 | -172.6 | 0 | 0 | 0 | 114.2 | E394 V400 L402 | E394-I398 HydrophobicContact CB-CD1 3.82Å; E394-I398 HydrophobicContact CB-CG1 4.32Å; E394-I398 HydrophobicContact CG-CD1 3.66Å; E394-I398 PolarHBondContact O-N 3.43Å; E394-I398 VanDerWaalsContact O-N 3.09Å; I398-V400 PolarHBondContact O-N 3.49Å; I398-L402 HydrophobicContact CG2-CD1 3.68Å; I398-L402 HydrophobicContact CG2-CG 3.84Å |
| 399 | E | 27.1 | Very low | 37.3 | Very low | 190 Ų | 190 | 101.8 Ų | 101.8 | 89% | 0.888 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -16.9 | 173.4 | -148.3 | 170.7 | -161.8 | 0 | 0 | 112.7 | ||
| 400 | V | 32.6 | Very low | 35.2 | Very low | 122 Ų | 122 | 109.1 Ų | 109.1 | 74% | 0.739 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -29.8 | -176.6 | -179.3 | 0 | 0 | 0 | 0 | 113.7 | I398 | I398-V400 PolarHBondContact O-N 3.49Š|
| 401 | L | 28.9 | Very low | 33.3 | Very low | 102 Ų | 102 | 116.3 Ų | 116.3 | 53% | 0.534 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.3 | -28.8 | -168.6 | -156 | 70.6 | 0 | 0 | 0 | 114.9 | G403 V404 | L401-G403 PolarHBondContact O-N 3.1Å; L401-G403 VanDerWaalsContact O-N 3.14Å; L401-V404 PolarHBondContact O-N 3.18Å; L401-V404 VanDerWaalsContact O-N 3.09Å |
| 402 | L | 28.5 | Very low | 31.7 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -9.3 | 171.2 | -81.1 | 172.7 | 0 | 0 | 0 | 113.2 | I398 V404 | I398-L402 HydrophobicContact CG2-CD1 3.68Å; I398-L402 HydrophobicContact CG2-CG 3.84Å; L402-V404 VanDerWaalsContact C-N 3.35Å |
| 403 | G | 28.7 | Very low | 30.8 | Very low | 47 Ų | 47 | 124.9 Ų | 124.9 | 49% | 0.485 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | -21.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114 | L401 | L401-G403 PolarHBondContact O-N 3.1Å; L401-G403 VanDerWaalsContact O-N 3.14Å |
| 404 | V | 27.8 | Very low | 30 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 65% | 0.648 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -29 | -174.3 | -177.7 | 0 | 0 | 0 | 0 | 112.6 | L401 L402 R406 | L401-V404 PolarHBondContact O-N 3.18Å; L401-V404 VanDerWaalsContact O-N 3.09Å; L402-V404 VanDerWaalsContact C-N 3.35Å; V404-R406 VanDerWaalsContact C-N 3.31Å; V404-R406 PolarHBondContact O-N 2.95Å |
| 405 | V | 25.7 | Very low | 28.9 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 70% | 0.697 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -81.1 | -9.2 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 112.9 | S407 | V405-S407 PolarHBondContact O-N 3.41Š|
| 406 | R | 27.8 | Very low | 28.5 | Very low | 202 Ų | 202 | 130.3 Ų | 130.3 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -70.9 | 3.1 | 179.5 | -152.8 | 174.1 | -67.8 | 168.9 | -0.4 | 114.4 | V404 | V404-R406 VanDerWaalsContact C-N 3.31Å; V404-R406 PolarHBondContact O-N 2.95Å |
| 407 | S | 27.1 | Very low | 27.8 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -106.2 | 10.8 | -170.9 | -52.5 | 0 | 0 | 0 | 0 | 115.5 | V405 | V405-S407 PolarHBondContact O-N 3.41Š|
| 408 | A | 26.8 | Very low | 27.4 | Very low | 86 Ų | 86 | 131.1 Ų | 131.1 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -145.8 | 27.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 409 | H | 25.8 | Very low | 26.6 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | -130.3 | 64.8 | 165.7 | -126.2 | -86.2 | 0 | 0 | 0 | 112.6 | ||||
| 410 | K | 28.6 | Very low | 26.5 | Very low | 204 Ų | 204 | 130.9 Ų | 130.9 | 89% | 0.887 | 73% | 0.728 | S | S | * | * | trans | -112.1 | 90.4 | 156.5 | -100.9 | -173.8 | 177.5 | 178.3 | 0 | 107.6 | ||||
| 411 | L | 25.7 | Very low | 26.1 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | trans | 177.5 | 113.9 | 157.3 | -122.7 | 66.3 | 0 | 0 | 0 | 104.3 | ||||
| 412 | Y | 22.9 | Very low | 25.9 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 73% | 0.725 | 74% | 0.739 | S | S | * | * | -160.2 | 104.5 | 63.6 | 178.6 | -98.1 | 0 | 0 | 0 | 109 | I414 | Y412-I414 HydrophobicContact CD1-CG1 4.43Å; Y412-I414 HydrophobicContact CD2-CD1 4.11Å; Y412-I414 HydrophobicContact CD2-CG1 4.1Å; Y412-I414 HydrophobicContact CE1-CB 4Å; Y412-I414 HydrophobicContact CE1-CD1 4.31Å; Y412-I414 HydrophobicContact CE1-CG1 4.02Å; Y412-I414 HydrophobicContact CE2-CB 4.48Å; Y412-I414 HydrophobicContact CE2-CD1 3.28Å; Y412-I414 HydrophobicContact CE2-CG1 3.66Å; Y412-I414 HydrophobicContact CG-CG1 4.48Å; Y412-I414 VanDerWaalsContact CZ-CD1 3.42Å; Y412-I414 WeakPolarHBondContact OH-CD1 3.43Å | |||
| 413 | T | 27.8 | Very low | 25.7 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 90% | 0.896 | 75% | 0.748 | S | S | * | * | trans | -100.5 | 107.1 | 162 | 38.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 414 | I | 28.2 | Very low | 25.5 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 65% | 0.646 | 76% | 0.758 | S | S | * | * | trans | -137.3 | 123.1 | 160.9 | -55.7 | -166.8 | 0 | 0 | 0 | 105.4 | Y412 | Y412-I414 HydrophobicContact CD1-CG1 4.43Å; Y412-I414 HydrophobicContact CD2-CD1 4.11Å; Y412-I414 HydrophobicContact CD2-CG1 4.1Å; Y412-I414 HydrophobicContact CE1-CB 4Å; Y412-I414 HydrophobicContact CE1-CD1 4.31Å; Y412-I414 HydrophobicContact CE1-CG1 4.02Å; Y412-I414 HydrophobicContact CE2-CB 4.48Å; Y412-I414 HydrophobicContact CE2-CD1 3.28Å; Y412-I414 HydrophobicContact CE2-CG1 3.66Å; Y412-I414 HydrophobicContact CG-CG1 4.48Å; Y412-I414 VanDerWaalsContact CZ-CD1 3.42Å; Y412-I414 WeakPolarHBondContact OH-CD1 3.43Å | ||
| 415 | G | 21.8 | Very low | 25.3 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | cis | 166.3 | 131.9 | 1.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 416 | K | 27.7 | Very low | 25.3 | Very low | 222 Ų | 222 | 138.8 Ų | 138.8 | 97% | 0.965 | 77% | 0.772 | S | S | * | * | trans | 154.3 | 116.8 | 159.5 | -93.1 | 180 | -177.9 | -177.2 | 0 | 107.1 | ||||
| 417 | G | 21.6 | Very low | 25 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | 169.8 | 143.6 | 0.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 418 | I | 26.5 | Very low | 24.8 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | 86.8 | 110.7 | 160.1 | -47.1 | 175 | 0 | 0 | 0 | 118 | ||||
| 419 | D | 21.6 | Very low | 25.2 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 30.7 | 142.5 | 137.1 | -82.4 | -15.8 | 0 | 0 | 0 | 120 | ||||
| 420 | S | 23.8 | Very low | 25 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | cis | 179.9 | 169 | 8.1 | 55.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 421 | I | 24.6 | Very low | 25.3 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | 84.7 | 96 | 155 | -59 | 160.8 | 0 | 0 | 0 | 117.7 | ||||
| 422 | V | 24.7 | Very low | 25.3 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | -5 | 119.8 | 126.6 | -179.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 423 | D | 24.6 | Very low | 25.6 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | -171.4 | 158.4 | 100.9 | -130.5 | -27.2 | 0 | 0 | 0 | 113.4 | |||||
| 424 | S | 25.3 | Very low | 25.5 | Very low | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | -61.2 | 161.1 | -177.4 | -34.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 425 | A | 22.5 | Very low | 25.4 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 85.2 | 105.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 426 | D | 25.9 | Very low | 26 | Very low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 87.1 | 152.3 | 131 | -137.4 | -0.9 | 0 | 0 | 0 | 119.6 | ||||
| 427 | V | 22.3 | Very low | 25.9 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | 89.3 | 108.8 | 174 | -169.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 428 | G | 21.5 | Very low | 26.5 | Very low | 61 Ų | 61 | 124 Ų | 124 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | trans | 139.4 | 83.4 | 135.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A430 | G428-A430 PolarHBondContact O-N 3.26Š| ||
| 429 | Q | 36 | Very low | 26.5 | Very low | 209 Ų | 209 | 121.9 Ų | 121.9 | 98% | 0.977 | 74% | 0.743 | S | S | * | * | trans | -50.8 | 107.4 | 147.1 | -80.2 | -178.8 | 3 | 0 | 0 | 108.8 | ||||
| 430 | A | 21.4 | Very low | 27 | Very low | 83 Ų | 83 | 125.5 Ų | 125.5 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | -150.8 | 91.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G428 | G428-A430 PolarHBondContact O-N 3.26Š| ||
| 431 | A | 35.4 | Very low | 27.1 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | trans | 29.6 | 97.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 432 | V | 25.1 | Very low | 27.1 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | trans | -113.8 | 92.8 | 148.2 | -177.7 | 0 | 0 | 0 | 0 | 107.1 | G434 | V432-G434 VanDerWaalsContact C-N 3.29Å; V432-G434 PolarHBondContact O-N 3.24Å; V432-G434 VanDerWaalsContact O-N 3.09Å | ||
| 433 | K | 29 | Very low | 27.6 | Very low | 219 Ų | 219 | 127.4 Ų | 127.4 | 95% | 0.952 | 76% | 0.76 | S | S | * | * | trans | -73.7 | 89.7 | 163.6 | -76.7 | -175.5 | 176.1 | -178.5 | 0 | 107.4 | ||||
| 434 | G | 26.7 | Very low | 27.7 | Very low | 38 Ų | 38 | 125.6 Ų | 125.6 | 39% | 0.392 | 76% | 0.764 | S | S | . | * | S | Bend | trans | -170.8 | 153.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V432 L436 | V432-G434 VanDerWaalsContact C-N 3.29Å; V432-G434 PolarHBondContact O-N 3.24Å; V432-G434 VanDerWaalsContact O-N 3.09Å; G434-L436 PolarHBondContact O-N 2.97Å |
| 435 | P | 26.2 | Very low | 27.8 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -66.5 | 4.9 | -176.2 | -16.9 | 30.9 | 0 | 0 | 0 | 115.1 | ||
| 436 | L | 34.4 | Very low | 28.5 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | trans | -110.2 | 34.4 | -167.7 | -135.4 | 89.5 | 0 | 0 | 0 | 114.1 | G434 | G434-L436 PolarHBondContact O-N 2.97Š| ||
| 437 | A | 25.3 | Very low | 28.8 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | trans | -102.2 | 62.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 438 | L | 34.1 | Very low | 29.4 | Very low | 127 Ų | 127 | 117.7 Ų | 117.7 | 67% | 0.665 | 71% | 0.71 | S | S | * | * | trans | -87.6 | 105.7 | 167.5 | -83.5 | 165.2 | 0 | 0 | 0 | 109 | ||||
| 439 | T | 26.8 | Very low | 30.4 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | trans | -62.3 | 144.2 | 165.7 | 42.9 | 0 | 0 | 0 | 0 | 109.7 | G441 | T439-G441 PolarHBondContact O-N 3.44Š| ||
| 440 | K | 31 | Very low | 31.6 | Very low | 229 Ų | 229 | 111.8 Ų | 111.8 | 100% | 0.996 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 29 | -176.7 | -72 | -178.7 | 171.6 | 178.7 | 0 | 115.9 | ||
| 441 | G | 25.6 | Very low | 33.7 | Very low | 71 Ų | 71 | 108.2 Ų | 108.2 | 73% | 0.732 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -7.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | T439 | T439-G441 PolarHBondContact O-N 3.44Š|
| 442 | A | 26.3 | Very low | 35.3 | Very low | 70 Ų | 70 | 103.8 Ų | 103.8 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | trans | -108.7 | 61.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 443 | R | 34.7 | Very low | 37.3 | Very low | 259 Ų | 259 | 100.1 Ų | 100.1 | 98% | 0.977 | 58% | 0.578 | S | S | * | * | trans | -104.8 | 15.6 | 168.6 | -83 | -170.7 | 178.2 | -178.4 | -2.6 | 113.7 | ||||
| 444 | A | 26.2 | Very low | 39.1 | Very low | 101 Ų | 101 | 91.6 Ų | 91.6 | 84% | 0.835 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -123 | 103.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 445 | G | 27.2 | Very low | 40.5 | Very low | 63 Ų | 63 | 90.8 Ų | 90.8 | 65% | 0.649 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 127.3 | 111.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I447 | G445-I447 VanDerWaalsContact C-N 3.32Å; G445-I447 PolarHBondContact O-N 3.33Å |
| 446 | F | 36.9 | Very low | 42 | Very low | 84 Ų | 84 | 85.3 Ų | 85.3 | 37% | 0.368 | 50% | 0.498 | S | S | . | . | trans | -50 | 91.3 | 171.4 | -88.3 | -105.5 | 0 | 0 | 0 | 110.9 | R199 I391 | R199-F446 VanDerWaalsContact NH1-CE2 3.26Å; R199-F446 VanDerWaalsContact NH1-CZ 3.26Å; I391-F446 HydrophobicContact CD1-CD2 3.39Å; I391-F446 HydrophobicContact CD1-CE2 3.33Å; I391-F446 HydrophobicContact CD1-CG 4.42Å; I391-F446 HydrophobicContact CD1-CZ 4.3Å | ||
| 447 | I | 32.2 | Very low | 42.7 | Very low | 145 Ų | 145 | 83.7 Ų | 83.7 | 74% | 0.744 | 49% | 0.49 | S | S | * | . | trans | -91.7 | 95.7 | 140.6 | -57.3 | 178.2 | 0 | 0 | 0 | 102.8 | G445 L449 | G445-I447 VanDerWaalsContact C-N 3.32Å; G445-I447 PolarHBondContact O-N 3.33Å; I447-L449 PolarHBondContact O-N 2.95Å | ||
| 448 | A | 35.6 | Very low | 43.5 | Very low | 34 Ų | 34 | 83.2 Ų | 83.2 | 28% | 0.281 | 48% | 0.475 | S | S | . | . | trans | -59.8 | 95.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | D384 N450 | D384-A448 WeakPolarHBondContact OD2-CB 3.44Å; A448-N450 VanDerWaalsContact C-N 3.32Å; A448-N450 PolarHBondContact O-N 3.42Å | ||
| 449 | L | 41.8 | Very low | 43.4 | Very low | 125 Ų | 125 | 83.2 Ų | 83.2 | 65% | 0.654 | 47% | 0.47 | S | S | * | . | trans | -60.8 | 106.5 | 160.7 | -80.3 | 168.4 | 0 | 0 | 0 | 104.9 | I447 V451 | I447-L449 PolarHBondContact O-N 2.95Å; L449-V451 PolarHBondContact O-N 2.82Å | ||
| 450 | N | 61.4 | Low | 44.2 | Very low | 21 Ų | 21 | 79.1 Ų | 79.1 | 11% | 0.112 | 44% | 0.442 | C | S | . | . | trans | -66.4 | 101.4 | -179.9 | -165.4 | -40.1 | 0 | 0 | 0 | 108.3 | F376 A448 L452 F453 | F376-N450 VanDerWaalsContact CD1-ND2 3.33Å; F376-N450 WeakPolarHBondContact CD1-ND2 3.27Å; F376-N450 WeakPolarHBondContact CE1-ND2 3.13Å; A448-N450 VanDerWaalsContact C-N 3.32Å; A448-N450 PolarHBondContact O-N 3.42Å; N450-L452 PolarHBondContact O-N 3.08Å; N450-F453 HydrophobicContact CB-CD2 3.82Å; N450-F453 HydrophobicContact CB-CE2 4.24Å; N450-F453 PolarHBondContact O-N 3.04Å | ||
| 451 | V | 66.6 | Low | 44.8 | Very low | 9 Ų | 9 | 69.2 Ų | 69.2 | 6% | 0.055 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -53.9 | -28.9 | -168.8 | 166.5 | 0 | 0 | 0 | 0 | 112.3 | V185 F188 Q189 N192 L449 F453 L454 | V185-V451 HydrophobicContact CB-CG1 4.43Å; V185-V451 HydrophobicContact CG1-CG1 3.82Å; V185-V451 WeakPolarHBondContact O-CG1 3.39Å; F188-V451 HydrophobicContact CB-CB 4.43Å; F188-V451 HydrophobicContact CB-CG1 3.55Å; F188-V451 HydrophobicContact CB-CG2 4Å; Q189-V451 HydrophobicContact CB-CG1 4.39Å; N192-V451 WeakPolarHBondContact ND2-CG2 3.45Å; L449-V451 PolarHBondContact O-N 2.82Å; V451-F453 PolarHBondContact O-N 3.3Å; V451-F453 VanDerWaalsContact O-N 3.15Å; V451-L454 HydrophobicContact CB-CD1 4.49Å; V451-L454 HydrophobicContact CG1-CD1 4.06Å; V451-L454 WeakPolarHBondContact O-CB 3.16Å; V451-L454 WeakPolarHBondContact O-CG 3.41Å; V451-L454 PolarHBondContact O-N 2.96Å |
| 452 | L | 68.4 | Low | 45.6 | Very low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -59.3 | -24.6 | 176.9 | -74 | 168.9 | 0 | 0 | 0 | 114.3 | F175 V185 F376 N450 R483 L486 F487 Q490 | F175-L452 HydrophobicContact CE2-CD2 3.71Å; F175-L452 HydrophobicContact CZ-CD2 4.01Å; V185-L452 HydrophobicContact CG1-CD2 4.07Å; F376-L452 HydrophobicContact CE1-CD1 3.73Å; F376-L452 HydrophobicContact CE2-CD1 4.43Å; F376-L452 HydrophobicContact CZ-CD1 3.34Å; N450-L452 PolarHBondContact O-N 3.08Å; L452-R483 PolarHBondContact O-NH1 3.49Å; L452-L486 HydrophobicContact CD2-CB 3.84Å; L452-L486 HydrophobicContact CD2-CD1 4.34Å; L452-F487 HydrophobicContact CB-CD1 4.26Å; L452-F487 HydrophobicContact CB-CE1 3.58Å; L452-F487 HydrophobicContact CB-CZ 3.88Å; L452-F487 HydrophobicContact CD1-CD1 4.06Å; L452-F487 HydrophobicContact CD1-CE1 4.1Å; L452-F487 HydrophobicContact CG-CE1 4.36Å; L452-Q490 HydrophobicContact CD1-CB 3.76Å; L452-Q490 HydrophobicContact CD1-CG 3.75Å |
| 453 | F | 66.7 | Low | 46.2 | Very low | 32 Ų | 32 | 69.1 Ų | 69.1 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -90.8 | -3.6 | 178.7 | -65.5 | -88.6 | 0 | 0 | 0 | 113.8 | F372 Y373 F376 N450 V451 G455 M456 F487 | F372-F453 AromaticContact CD1-CE1 3.92Å; F372-F453 HydrophobicContact CD1-CE1 3.92Å; F372-F453 HydrophobicContact CD1-CZ 4.09Å; F372-F453 AromaticContact CE1-CE1 3.75Å; F372-F453 HydrophobicContact CE1-CE1 3.75Å; F372-F453 AromaticContact CE1-CZ 3.71Å; F372-F453 HydrophobicContact CE1-CZ 3.71Å; Y373-F453 AromaticContact CD2-CD1 3.74Å; Y373-F453 HydrophobicContact CD2-CD1 3.74Å; Y373-F453 AromaticContact CD2-CD2 3.94Å; Y373-F453 HydrophobicContact CD2-CD2 3.94Å; Y373-F453 AromaticContact CD2-CE1 3.65Å; Y373-F453 HydrophobicContact CD2-CE1 3.65Å; Y373-F453 AromaticContact CD2-CE2 3.81Å; Y373-F453 HydrophobicContact CD2-CE2 3.81Å; Y373-F453 AromaticContact CD2-CG 3.9Å; Y373-F453 HydrophobicContact CD2-CG 3.9Å; Y373-F453 AromaticContact CD2-CZ 3.68Å; Y373-F453 HydrophobicContact CD2-CZ 3.68Å; Y373-F453 HydrophobicContact CE2-CD1 4.48Å; Y373-F453 HydrophobicContact CE2-CD2 4.09Å; Y373-F453 HydrophobicContact CE2-CE2 4.25Å; Y373-F453 HydrophobicContact CE2-CG 4.2Å; Y373-F453 HydrophobicContact CG-CE1 4.34Å; Y373-F453 HydrophobicContact CG-CZ 4.38Å; F376-F453 HydrophobicContact CB-CZ 4.18Å; F376-F453 AromaticContact CD1-CE2 3.58Å; F376-F453 HydrophobicContact CD1-CE2 3.58Å; F376-F453 HydrophobicContact CD1-CZ 4.01Å; F376-F453 HydrophobicContact CE1-CE2 4.04Å; F376-F453 HydrophobicContact CG-CE2 4.2Å; F376-F453 HydrophobicContact CG-CZ 4.16Å; N450-F453 HydrophobicContact CB-CD2 3.82Å; N450-F453 HydrophobicContact CB-CE2 4.24Å; N450-F453 PolarHBondContact O-N 3.04Å; V451-F453 PolarHBondContact O-N 3.3Å; V451-F453 VanDerWaalsContact O-N 3.15Å; F453-G455 PolarHBondContact O-N 3.06Å; F453-M456 HydrophobicContact CB-CE 4.46Å; F453-M456 HydrophobicContact CD1-CE 3.3Å; F453-M456 HydrophobicContact CE1-CE 3.74Å; F453-M456 HydrophobicContact CG-CE 4.11Å; F453-M456 WeakPolarHBondContact O-CB 3.4Å; F453-M456 PolarHBondContact O-N 3.44Å; F453-F487 HydrophobicContact CD1-CZ 4.02Å; F453-F487 HydrophobicContact CD2-CE1 4.33Å; F453-F487 HydrophobicContact CD2-CZ 4.31Å; F453-F487 HydrophobicContact CE1-CE1 4.11Å; F453-F487 AromaticContact CE1-CZ 3.72Å; F453-F487 HydrophobicContact CE1-CZ 3.72Å; F453-F487 AromaticContact CE2-CE1 3.78Å; F453-F487 HydrophobicContact CE2-CE1 3.78Å; F453-F487 HydrophobicContact CE2-CZ 4.07Å; F453-F487 HydrophobicContact CG-CZ 4.3Å; F453-F487 AromaticContact CZ-CE1 3.64Å; F453-F487 HydrophobicContact CZ-CE1 3.64Å; F453-F487 AromaticContact CZ-CZ 3.76Å; F453-F487 HydrophobicContact CZ-CZ 3.76Å |
| 454 | L | 67 | Low | 46.7 | Very low | 40 Ų | 40 | 59.1 Ų | 59.1 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 128.5 | 177.1 | -69.9 | 177.9 | 0 | 0 | 0 | 111.4 | E184 F188 V451 M456 R483 | E184-L454 HydrophobicContact CG-CB 4.35Å; E184-L454 HydrophobicContact CG-CD1 4.37Å; F188-L454 HydrophobicContact CB-CD1 3.61Å; F188-L454 HydrophobicContact CD1-CD1 4.01Å; F188-L454 HydrophobicContact CD2-CD1 3.26Å; F188-L454 HydrophobicContact CE2-CD1 3.84Å; F188-L454 HydrophobicContact CG-CD1 3.35Å; F188-L454 HydrophobicContact CZ-CD1 4.43Å; V451-L454 HydrophobicContact CB-CD1 4.49Å; V451-L454 HydrophobicContact CG1-CD1 4.06Å; V451-L454 WeakPolarHBondContact O-CB 3.16Å; V451-L454 WeakPolarHBondContact O-CG 3.41Å; V451-L454 PolarHBondContact O-N 2.96Å; L454-M456 VanDerWaalsContact C-N 3.27Å; L454-M456 PolarHBondContact O-N 2.82Å; L454-R483 PolarHBondContact O-NH1 3.48Å; L454-R483 PolarHBondContact O-NH2 3.08Å |
| 455 | G | 56 | Low | 47.5 | Very low | 22 Ų | 22 | 54.8 Ų | 54.8 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 7.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R71 F453 | R71-G455 WeakPolarHBondContact CD-O 3.31Å; R71-G455 PolarHBondContact NH1-O 2.66Å; F453-G455 PolarHBondContact O-N 3.06Å |
| 456 | M | 57.4 | Low | 48.2 | Very low | 22 Ų | 22 | 53.8 Ų | 53.8 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | trans | -105.5 | 67.6 | 171.3 | -60.3 | -148.7 | -53.5 | 0 | 0 | 111.8 | F453 L454 I458 F479 R483 F487 | F453-M456 HydrophobicContact CB-CE 4.46Å; F453-M456 HydrophobicContact CD1-CE 3.3Å; F453-M456 HydrophobicContact CE1-CE 3.74Å; F453-M456 HydrophobicContact CG-CE 4.11Å; F453-M456 WeakPolarHBondContact O-CB 3.4Å; F453-M456 PolarHBondContact O-N 3.44Å; L454-M456 VanDerWaalsContact C-N 3.27Å; L454-M456 PolarHBondContact O-N 2.82Å; M456-I458 PolarHBondContact O-N 3.34Å; M456-F479 HydrophobicContact CG-CZ 4.26Å; M456-R483 HydrophobicContact SD-CB 4.32Å; M456-R483 HydrophobicContact SD-CG 4.04Å; M456-F487 HydrophobicContact CE-CE2 3.38Å; M456-F487 HydrophobicContact CE-CZ 3.41Å; M456-F487 VanDerWaalsContact CE-CZ 3.41Å; M456-F487 HydrophobicContact SD-CE2 4.01Å | ||
| 457 | D | 50.2 | Low | 48.4 | Very low | 102 Ų | 102 | 53.5 Ų | 53.5 | 55% | 0.545 | 28% | 0.283 | S | S | . | . | trans | -69.8 | 123.2 | 170.9 | -81.9 | -29 | 0 | 0 | 0 | 110.7 | F459 F460 I461 | D457-F459 PolarHBondContact O-N 3.01Å; D457-F460 HydrophobicContact CB-CB 3.55Å; D457-F460 CarbonylContact O-C 3.59Å; D457-F460 WeakPolarHBondContact O-CA 3.39Å; D457-F460 VanDerWaalsContact O-CB 3.24Å; D457-F460 WeakPolarHBondContact O-CB 3.31Å; D457-F460 PolarHBondContact O-N 2.97Å; D457-I461 PolarHBondContact O-N 3.48Å | ||
| 458 | I | 40.6 | Very low | 48.9 | Very low | 68 Ų | 68 | 47.9 Ų | 47.9 | 35% | 0.349 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.4 | -41.1 | 177.2 | -67.5 | 171 | 0 | 0 | 0 | 111.3 | N366 M456 F460 | N366-I458 HydrophobicContact CB-CG2 3.55Å; N366-I458 WeakPolarHBondContact OD1-CG2 3.23Å; N366-I458 PolarHBondContact OD1-O 3.3Å; M456-I458 PolarHBondContact O-N 3.34Å; I458-F460 PolarHBondContact O-N 2.87Å |
| 459 | F | 33.6 | Very low | 49.2 | Very low | 127 Ų | 127 | 46.8 Ų | 46.8 | 56% | 0.557 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.2 | -28.7 | 175.9 | -176.1 | -104.1 | 0 | 0 | 0 | 112.8 | D457 K463 | D457-F459 PolarHBondContact O-N 3.01Å; F459-K463 HydrophobicContact CE1-CD 3.86Å; F459-K463 HydrophobicContact CZ-CD 4.14Å; F459-K463 VanDerWaalsContact O-CB 3.23Å; F459-K463 WeakPolarHBondContact O-CB 3.35Å; F459-K463 PolarHBondContact O-N 2.92Å |
| 460 | F | 43.6 | Very low | 49.2 | Very low | 36 Ų | 36 | 47.4 Ų | 47.4 | 16% | 0.158 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -85.5 | -40.9 | -177 | -171.8 | -89.1 | 0 | 0 | 0 | 111.7 | R71 D457 I458 A462 K463 E464 | R71-F460 HydrophobicContact CB-CZ 4.09Å; R71-F460 VanDerWaalsContact CD-CE1 3.4Å; R71-F460 HydrophobicContact CG-CE1 3.87Å; R71-F460 HydrophobicContact CG-CE2 4.37Å; R71-F460 HydrophobicContact CG-CZ 3.51Å; D457-F460 HydrophobicContact CB-CB 3.55Å; D457-F460 CarbonylContact O-C 3.59Å; D457-F460 WeakPolarHBondContact O-CA 3.39Å; D457-F460 VanDerWaalsContact O-CB 3.24Å; D457-F460 WeakPolarHBondContact O-CB 3.31Å; D457-F460 PolarHBondContact O-N 2.97Å; I458-F460 PolarHBondContact O-N 2.87Å; F460-A462 PolarHBondContact O-N 3.1Å; F460-K463 PolarHBondContact O-N 3.09Å; F460-E464 HydrophobicContact CD1-CB 3.9Å; F460-E464 HydrophobicContact CD1-CG 3.84Å; F460-E464 HydrophobicContact CD2-CB 4.46Å; F460-E464 HydrophobicContact CD2-CG 3.55Å; F460-E464 HydrophobicContact CE1-CB 3.88Å; F460-E464 HydrophobicContact CE1-CG 3.7Å; F460-E464 WeakPolarHBondContact CE1-OE2 3.03Å; F460-E464 HydrophobicContact CE2-CB 4.48Å; F460-E464 HydrophobicContact CE2-CG 3.44Å; F460-E464 VanDerWaalsContact CE2-CG 3.44Å; F460-E464 WeakPolarHBondContact CE2-OE1 3.37Å; F460-E464 WeakPolarHBondContact CE2-OE2 3.35Å; F460-E464 HydrophobicContact CG-CB 4.22Å; F460-E464 HydrophobicContact CG-CG 3.79Å; F460-E464 HydrophobicContact CZ-CB 4.24Å; F460-E464 HydrophobicContact CZ-CG 3.55Å; F460-E464 WeakPolarHBondContact CZ-OE1 3.35Å; F460-E464 WeakPolarHBondContact CZ-OE2 3.29Å; F460-E464 WeakPolarHBondContact O-CA 3.28Å; F460-E464 WeakPolarHBondContact O-CB 3.25Å; F460-E464 PolarHBondContact O-N 3.31Å |
| 461 | I | 43.1 | Very low | 48.4 | Very low | 20 Ų | 20 | 49.3 Ų | 49.3 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.1 | -44.2 | 175 | -66.9 | 172.6 | 0 | 0 | 0 | 110.6 | L321 F369 D457 S465 | L321-I461 HydrophobicContact CD1-CG2 3.68Å; L321-I461 WeakPolarHBondContact CD1-O 3.35Å; L321-I461 HydrophobicContact CD2-CG2 3.76Å; L321-I461 HydrophobicContact CG-CG2 4.3Å; F369-I461 HydrophobicContact CD1-CD1 3.98Å; F369-I461 HydrophobicContact CD2-CD1 4.43Å; F369-I461 HydrophobicContact CD2-CG2 4.44Å; F369-I461 HydrophobicContact CE1-CD1 3.71Å; F369-I461 HydrophobicContact CE2-CD1 4.22Å; F369-I461 HydrophobicContact CE2-CG2 3.8Å; F369-I461 HydrophobicContact CG-CD1 4.33Å; F369-I461 HydrophobicContact CZ-CD1 3.86Å; F369-I461 HydrophobicContact CZ-CG2 4.09Å; D457-I461 PolarHBondContact O-N 3.48Å; I461-S465 WeakPolarHBondContact O-CB 3.15Å; I461-S465 PolarHBondContact O-N 3.28Å; I461-S465 PolarHBondContact O-OG 3.49Å |
| 462 | A | 41.6 | Very low | 48 | Very low | 19 Ų | 19 | 50.7 Ų | 50.7 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77.3 | -36.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q362 F460 S465 | Q362-A462 HydrophobicContact CB-CB 4Å; Q362-A462 HydrophobicContact CG-CB 3.53Å; F460-A462 PolarHBondContact O-N 3.1Å; A462-S465 PolarHBondContact O-OG 3.35Å |
| 463 | K | 40.1 | Very low | 47.4 | Very low | 121 Ų | 121 | 51.4 Ų | 51.4 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -83.9 | -38.1 | -176.8 | -171.6 | 178.2 | 179.4 | -176.9 | 0 | 112.7 | F459 F460 | F459-K463 HydrophobicContact CE1-CD 3.86Å; F459-K463 HydrophobicContact CZ-CD 4.14Å; F459-K463 VanDerWaalsContact O-CB 3.23Å; F459-K463 WeakPolarHBondContact O-CB 3.35Å; F459-K463 PolarHBondContact O-N 2.92Å; F460-K463 PolarHBondContact O-N 3.09Å |
| 464 | E | 44.4 | Very low | 47.2 | Very low | 49 Ų | 49 | 51.6 Ų | 51.6 | 23% | 0.229 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -85.3 | -30.3 | -178.4 | -78.3 | -135.7 | 165.7 | 0 | 0 | 114.3 | F460 L466 T467 L468 | F460-E464 HydrophobicContact CD1-CB 3.9Å; F460-E464 HydrophobicContact CD1-CG 3.84Å; F460-E464 HydrophobicContact CD2-CB 4.46Å; F460-E464 HydrophobicContact CD2-CG 3.55Å; F460-E464 HydrophobicContact CE1-CB 3.88Å; F460-E464 HydrophobicContact CE1-CG 3.7Å; F460-E464 WeakPolarHBondContact CE1-OE2 3.03Å; F460-E464 HydrophobicContact CE2-CB 4.48Å; F460-E464 HydrophobicContact CE2-CG 3.44Å; F460-E464 VanDerWaalsContact CE2-CG 3.44Å; F460-E464 WeakPolarHBondContact CE2-OE1 3.37Å; F460-E464 WeakPolarHBondContact CE2-OE2 3.35Å; F460-E464 HydrophobicContact CG-CB 4.22Å; F460-E464 HydrophobicContact CG-CG 3.79Å; F460-E464 HydrophobicContact CZ-CB 4.24Å; F460-E464 HydrophobicContact CZ-CG 3.55Å; F460-E464 WeakPolarHBondContact CZ-OE1 3.35Å; F460-E464 WeakPolarHBondContact CZ-OE2 3.29Å; F460-E464 WeakPolarHBondContact O-CA 3.28Å; F460-E464 WeakPolarHBondContact O-CB 3.25Å; F460-E464 PolarHBondContact O-N 3.31Å; E464-L466 PolarHBondContact O-N 3.48Å; E464-T467 WeakPolarHBondContact CA-OG1 3.33Å; E464-T467 CarbonylContact O-C 3.56Å; E464-T467 PolarHBondContact O-N 2.82Å; E464-T467 PolarHBondContact O-OG1 3.43Å; E464-T467 VanDerWaalsContact O-OG1 3.06Å; E464-L468 HydrophobicContact CB-CD1 4.46Å; E464-L468 VanDerWaalsContact O-CB 3.28Å; E464-L468 WeakPolarHBondContact O-CB 3.48Å; E464-L468 PolarHBondContact O-N 3.09Å; E464-L468 WeakPolarHBondContact OE2-CD1 3.31Å |
| 465 | S | 43.4 | Very low | 47.1 | Very low | 10 Ų | 10 | 52.8 Ų | 52.8 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.8 | -43.4 | 168.7 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | V317 L321 I461 A462 T467 A469 | V317-S465 WeakPolarHBondContact CG1-O 3.49Å; L321-S465 WeakPolarHBondContact CD1-OG 3.28Å; I461-S465 WeakPolarHBondContact O-CB 3.15Å; I461-S465 PolarHBondContact O-N 3.28Å; I461-S465 PolarHBondContact O-OG 3.49Å; A462-S465 PolarHBondContact O-OG 3.35Å; S465-T467 VanDerWaalsContact C-N 3.32Å; S465-T467 PolarHBondContact O-N 3Å; S465-A469 WeakPolarHBondContact O-CB 3.46Å; S465-A469 PolarHBondContact O-N 3.45Å |
| 466 | L | 41.2 | Very low | 47.5 | Very low | 42 Ų | 42 | 52.5 Ų | 52.5 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.4 | -32.6 | 176.6 | -166.4 | 73.3 | 0 | 0 | 0 | 113.8 | V357 E464 K470 | V357-L466 HydrophobicContact CB-CD2 4.2Å; V357-L466 HydrophobicContact CG1-CD1 4.4Å; V357-L466 HydrophobicContact CG1-CD2 4.19Å; V357-L466 HydrophobicContact CG2-CD1 3.72Å; V357-L466 HydrophobicContact CG2-CD2 3.89Å; V357-L466 HydrophobicContact CG2-CG 4.47Å; E464-L466 PolarHBondContact O-N 3.48Å; L466-K470 WeakPolarHBondContact O-CD 3.4Å; L466-K470 WeakPolarHBondContact O-CG 3.49Å |
| 467 | T | 41.3 | Very low | 47.9 | Very low | 78 Ų | 78 | 51.5 Ų | 51.5 | 48% | 0.479 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -90 | -41.5 | 178.6 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | E464 S465 K470 G471 | E464-T467 WeakPolarHBondContact CA-OG1 3.33Å; E464-T467 CarbonylContact O-C 3.56Å; E464-T467 PolarHBondContact O-N 2.82Å; E464-T467 PolarHBondContact O-OG1 3.43Å; E464-T467 VanDerWaalsContact O-OG1 3.06Å; S465-T467 VanDerWaalsContact C-N 3.32Å; S465-T467 PolarHBondContact O-N 3Å; T467-K470 WeakPolarHBondContact O-CB 3.41Å; T467-K470 PolarHBondContact O-N 2.95Å; T467-G471 PolarHBondContact O-N 2.94Å |
| 468 | L | 42.7 | Very low | 49.2 | Very low | 26 Ų | 26 | 52.6 Ų | 52.6 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -36.5 | 174.9 | -108.4 | 71.3 | 0 | 0 | 0 | 112.1 | T68 E464 K470 G471 S472 V476 | T68-L468 HydrophobicContact CG2-CD1 4.39Å; E464-L468 HydrophobicContact CB-CD1 4.46Å; E464-L468 VanDerWaalsContact O-CB 3.28Å; E464-L468 WeakPolarHBondContact O-CB 3.48Å; E464-L468 PolarHBondContact O-N 3.09Å; E464-L468 WeakPolarHBondContact OE2-CD1 3.31Å; L468-K470 PolarHBondContact O-N 3.14Å; L468-G471 CarbonylContact O-C 3.57Å; L468-G471 WeakPolarHBondContact O-CA 3.37Å; L468-G471 PolarHBondContact O-N 2.74Å; L468-S472 CarbonylContact O-C 3.53Å; L468-S472 PolarHBondContact O-N 3.29Å; L468-V476 HydrophobicContact CB-CG2 3.5Å; L468-V476 HydrophobicContact CD2-CG2 3.47Å; L468-V476 VanDerWaalsContact CD2-CG2 3.47Å; L468-V476 HydrophobicContact CG-CG2 4.06Å |
| 469 | A | 41.3 | Very low | 50.8 | Low | 11 Ų | 11 | 50 Ų | 50 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.6 | -23.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V317 S465 | V317-A469 HydrophobicContact CB-CB 3.43Å; V317-A469 VanDerWaalsContact CB-CB 3.43Å; V317-A469 HydrophobicContact CG1-CB 3.17Å; V317-A469 HydrophobicContact CG2-CB 3.11Å; S465-A469 WeakPolarHBondContact O-CB 3.46Å; S465-A469 PolarHBondContact O-N 3.45Å |
| 470 | K | 43.1 | Very low | 52.7 | Low | 139 Ų | 139 | 44.8 Ų | 44.8 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -73.1 | -19.8 | 168.1 | -69.5 | 175.2 | 179.9 | -178.6 | 0 | 111.6 | L314 L466 T467 L468 | L314-K470 VanDerWaalsContact CD2-CE 3.48Å; L466-K470 WeakPolarHBondContact O-CD 3.4Å; L466-K470 WeakPolarHBondContact O-CG 3.49Å; T467-K470 WeakPolarHBondContact O-CB 3.41Å; T467-K470 PolarHBondContact O-N 2.95Å; L468-K470 PolarHBondContact O-N 3.14Å |
| 471 | G | 45.4 | Very low | 54.5 | Low | 61 Ų | 61 | 46 Ų | 46 | 63% | 0.629 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -106 | -51.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | T467 L468 | T467-G471 PolarHBondContact O-N 2.94Å; L468-G471 CarbonylContact O-C 3.57Å; L468-G471 WeakPolarHBondContact O-CA 3.37Å; L468-G471 PolarHBondContact O-N 2.74Å |
| 472 | S | 56.2 | Low | 56.4 | Low | 38 Ų | 38 | 45.2 Ų | 45.2 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | trans | -163 | 97.8 | 178.1 | -176.4 | 0 | 0 | 0 | 0 | 113.4 | L468 T474 K475 | L468-S472 CarbonylContact O-C 3.53Å; L468-S472 PolarHBondContact O-N 3.29Å; S472-T474 PolarHBondContact O-N 3.06Å; S472-T474 VanDerWaalsContact O-N 3.1Å; S472-K475 PolarHBondContact O-N 2.94Å; S472-K475 VanDerWaalsContact O-N 3.08Å | ||
| 473 | K | 56.3 | Low | 58.2 | Low | 16 Ų | 16 | 44.9 Ų | 44.9 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.7 | -29.3 | 175.9 | -65.1 | 173.4 | -176.4 | 170.9 | 0 | 113.9 | M293 N294 K475 S477 | M293-K473 HydrophobicContact CB-CD 4.41Å; N294-K473 HydrophobicContact CB-CB 4.1Å; K473-K475 VanDerWaalsContact C-N 3.35Å; K473-K475 PolarHBondContact O-N 3.25Å; K473-S477 PolarHBondContact O-N 3.31Å |
| 474 | T | 63.3 | Low | 60.2 | Low | 37 Ų | 37 | 39.1 Ų | 39.1 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.8 | -36.2 | 179 | -32.3 | 0 | 0 | 0 | 0 | 112.5 | N294 S472 K478 | N294-T474 PolarHBondContact ND2-OG1 3Å; S472-T474 PolarHBondContact O-N 3.06Å; S472-T474 VanDerWaalsContact O-N 3.1Å; T474-K478 WeakPolarHBondContact O-CG 3.46Å; T474-K478 PolarHBondContact O-N 3.15Å |
| 475 | K | 64.6 | Low | 62.4 | Low | 65 Ų | 65 | 39.3 Ų | 39.3 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -71.7 | -43.3 | -176.4 | -67.4 | -176.4 | 177.2 | -168.7 | 0 | 112.1 | D66 T68 S472 K473 S477 K478 F479 | D66-K475 IonicContact OD1-NZ 3.91Å; D66-K475 PolarHBondContact OD1-NZ 3.45Å; D66-K475 WeakPolarHBondContact OD2-CE 3.2Å; D66-K475 IonicContact OD2-NZ 2.77Å; D66-K475 PolarHBondContact OD2-NZ 3.06Å; T68-K475 HydrophobicContact CG2-CD 4.12Å; S472-K475 PolarHBondContact O-N 2.94Å; S472-K475 VanDerWaalsContact O-N 3.08Å; K473-K475 VanDerWaalsContact C-N 3.35Å; K473-K475 PolarHBondContact O-N 3.25Å; K475-S477 VanDerWaalsContact C-N 3.33Å; K475-S477 PolarHBondContact O-N 2.78Å; K475-K478 PolarHBondContact O-N 2.79Å; K475-F479 PolarHBondContact O-N 3.4Å |
| 476 | V | 63.8 | Low | 64.4 | Low | 16 Ų | 16 | 39.2 Ų | 39.2 | 10% | 0.097 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 174.4 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | L290 L468 K478 F479 L480 | L290-V476 HydrophobicContact CD1-CB 4.27Å; L290-V476 HydrophobicContact CD1-CG1 3.85Å; L468-V476 HydrophobicContact CB-CG2 3.5Å; L468-V476 HydrophobicContact CD2-CG2 3.47Å; L468-V476 VanDerWaalsContact CD2-CG2 3.47Å; L468-V476 HydrophobicContact CG-CG2 4.06Å; V476-K478 PolarHBondContact O-N 2.78Å; V476-F479 PolarHBondContact O-N 3.09Å; V476-L480 HydrophobicContact CG1-CD1 3.96Å; V476-L480 HydrophobicContact CG1-CG 4.25Å; V476-L480 WeakPolarHBondContact O-CG 3.42Å; V476-L480 PolarHBondContact O-N 2.82Å |
| 477 | S | 65.8 | Low | 66.5 | Low | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -47.8 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | A287 K473 K475 F479 L480 R481 | A287-S477 WeakPolarHBondContact O-CB 3.42Å; A287-S477 PolarHBondContact O-OG 2.96Å; K473-S477 PolarHBondContact O-N 3.31Å; K475-S477 VanDerWaalsContact C-N 3.33Å; K475-S477 PolarHBondContact O-N 2.78Å; S477-F479 PolarHBondContact O-N 3.22Å; S477-L480 PolarHBondContact O-N 3.41Å; S477-R481 WeakPolarHBondContact O-CG 3.46Å; S477-R481 PolarHBondContact O-N 2.97Å; S477-R481 PolarHBondContact OG-NH1 2.92Å |
| 478 | K | 77.4 | Confident | 68.9 | Low | 125 Ų | 125 | 36.1 Ų | 36.1 | 54% | 0.543 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 175.7 | -75 | -176.7 | 176 | -166.4 | 0 | 112.7 | T474 K475 V476 R481 A482 | T474-K478 WeakPolarHBondContact O-CG 3.46Å; T474-K478 PolarHBondContact O-N 3.15Å; K475-K478 PolarHBondContact O-N 2.79Å; V476-K478 PolarHBondContact O-N 2.78Å; K478-R481 PolarHBondContact O-N 3.27Å; K478-A482 VanDerWaalsContact O-CB 3.32Å; K478-A482 WeakPolarHBondContact O-CB 3.47Å; K478-A482 PolarHBondContact O-N 3.07Å |
| 479 | F | 74.4 | Confident | 71.3 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 177.4 | 175.1 | -95.8 | 0 | 0 | 0 | 112.5 | R71 H181 M456 K475 V476 S477 R481 A482 R483 | R71-F479 VanDerWaalsContact CZ-CE2 3.5Å; R71-F479 VanDerWaalsContact NH1-CE1 3.34Å; R71-F479 VanDerWaalsContact NH2-CE2 3.26Å; H181-F479 HydrophobicContact CB-CD2 3.97Å; M456-F479 HydrophobicContact CG-CZ 4.26Å; K475-F479 PolarHBondContact O-N 3.4Å; V476-F479 PolarHBondContact O-N 3.09Å; S477-F479 PolarHBondContact O-N 3.22Å; F479-R481 VanDerWaalsContact C-N 3.34Å; F479-R481 PolarHBondContact O-N 3.45Å; F479-A482 WeakPolarHBondContact O-CB 3.4Å; F479-A482 PolarHBondContact O-N 3.34Å; F479-R483 HydrophobicContact CD1-CG 4.46Å; F479-R483 HydrophobicContact CD2-CG 4.46Å; F479-R483 HydrophobicContact CE1-CG 3.82Å; F479-R483 HydrophobicContact CE2-CG 3.82Å; F479-R483 HydrophobicContact CZ-CG 3.42Å; F479-R483 VanDerWaalsContact CZ-CG 3.42Å; F479-R483 PolarHBondContact O-N 3.42Å |
| 480 | L | 73.4 | Confident | 73.6 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 179.8 | -72.4 | 178.1 | 0 | 0 | 0 | 111.5 | V283 A287 L290 V476 S477 R483 A484 | V283-L480 HydrophobicContact CG1-CB 3.89Å; V283-L480 HydrophobicContact CG1-CD2 4.16Å; V283-L480 HydrophobicContact CG1-CG 4.46Å; A287-L480 HydrophobicContact CB-CB 4.16Å; L290-L480 HydrophobicContact CD1-CD1 4.28Å; V476-L480 HydrophobicContact CG1-CD1 3.96Å; V476-L480 HydrophobicContact CG1-CG 4.25Å; V476-L480 WeakPolarHBondContact O-CG 3.42Å; V476-L480 PolarHBondContact O-N 2.82Å; S477-L480 PolarHBondContact O-N 3.41Å; L480-R483 PolarHBondContact O-N 3.1Å; L480-A484 VanDerWaalsContact O-CB 3.32Å; L480-A484 WeakPolarHBondContact O-CB 3.27Å; L480-A484 PolarHBondContact O-N 3.48Å |
| 481 | R | 81.6 | Confident | 75.9 | Confident | 62 Ų | 62 | 28.6 Ų | 28.6 | 23% | 0.234 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 174.2 | -68.2 | -168.5 | 175.7 | 121.6 | -15 | 112.4 | E284 A287 E291 S477 K478 F479 R483 A484 A485 | E284-R481 VanDerWaalsContact OE1-CD 3.25Å; E284-R481 WeakPolarHBondContact OE1-CD 3.38Å; E284-R481 WeakPolarHBondContact OE1-CG 3.49Å; E284-R481 IonicContact OE1-CZ 2.58Å; E284-R481 IonicContact OE1-NE 3.75Å; E284-R481 PolarHBondContact OE1-NE 3.44Å; E284-R481 WeakPolarHBondContact OE2-CG 3.24Å; A287-R481 HydrophobicContact CB-CG 3.64Å; E291-R481 IonicContact OE2-CZ 2.6Å; E291-R481 IonicContact OE2-NH1 3.18Å; E291-R481 PolarHBondContact OE2-NH1 3.13Å; E291-R481 IonicContact OE2-NH2 2.9Å; E291-R481 PolarHBondContact OE2-NH2 3Å; S477-R481 WeakPolarHBondContact O-CG 3.46Å; S477-R481 PolarHBondContact O-N 2.97Å; S477-R481 PolarHBondContact OG-NH1 2.92Å; K478-R481 PolarHBondContact O-N 3.27Å; F479-R481 VanDerWaalsContact C-N 3.34Å; F479-R481 PolarHBondContact O-N 3.45Å; R481-R483 VanDerWaalsContact C-N 3.28Å; R481-R483 PolarHBondContact O-N 3.19Å; R481-A484 PolarHBondContact O-N 3.39Å; R481-A485 WeakPolarHBondContact O-CB 3.21Å; R481-A485 PolarHBondContact O-N 3.12Å |
| 482 | A | 83.4 | Confident | 78.2 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.1 | -40.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N179 H181 N182 K478 F479 L486 | N179-A482 WeakPolarHBondContact ND2-CB 3.36Å; H181-A482 HydrophobicContact CB-CB 3.88Å; N182-A482 PolarHBondContact ND2-O 3.23Å; K478-A482 VanDerWaalsContact O-CB 3.32Å; K478-A482 WeakPolarHBondContact O-CB 3.47Å; K478-A482 PolarHBondContact O-N 3.07Å; F479-A482 WeakPolarHBondContact O-CB 3.4Å; F479-A482 PolarHBondContact O-N 3.34Å; A482-L486 PolarHBondContact O-N 2.85Å |
| 483 | R | 79.9 | Confident | 80 | Confident | 11 Ų | 11 | 28.2 Ų | 28.2 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.7 | -42.6 | 175.8 | -69.6 | -67.5 | 168.7 | 142.2 | 3.6 | 112.9 | H181 N182 V185 L452 L454 M456 F479 L480 R481 A485 L486 F487 | H181-R483 PolarHBondContact O-NH2 2.9Å; N182-R483 PolarHBondContact OD1-NE 3.47Å; V185-R483 VanDerWaalsContact CG2-CZ 3.46Å; L452-R483 PolarHBondContact O-NH1 3.49Å; L454-R483 PolarHBondContact O-NH1 3.48Å; L454-R483 PolarHBondContact O-NH2 3.08Å; M456-R483 HydrophobicContact SD-CB 4.32Å; M456-R483 HydrophobicContact SD-CG 4.04Å; F479-R483 HydrophobicContact CD1-CG 4.46Å; F479-R483 HydrophobicContact CD2-CG 4.46Å; F479-R483 HydrophobicContact CE1-CG 3.82Å; F479-R483 HydrophobicContact CE2-CG 3.82Å; F479-R483 HydrophobicContact CZ-CG 3.42Å; F479-R483 VanDerWaalsContact CZ-CG 3.42Å; F479-R483 PolarHBondContact O-N 3.42Å; L480-R483 PolarHBondContact O-N 3.1Å; R481-R483 VanDerWaalsContact C-N 3.28Å; R481-R483 PolarHBondContact O-N 3.19Å; R483-A485 VanDerWaalsContact C-N 3.25Å; R483-A485 PolarHBondContact O-N 3.34Å; R483-L486 PolarHBondContact O-N 2.87Å; R483-F487 WeakPolarHBondContact O-CD2 3.37Å; R483-F487 PolarHBondContact O-N 3.3Å |
| 484 | A | 81.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.5 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L280 V283 L480 R481 F487 R488 | L280-A484 HydrophobicContact CD2-CB 4.42Å; V283-A484 HydrophobicContact CG1-CB 4.14Å; L480-A484 VanDerWaalsContact O-CB 3.32Å; L480-A484 WeakPolarHBondContact O-CB 3.27Å; L480-A484 PolarHBondContact O-N 3.48Å; R481-A484 PolarHBondContact O-N 3.39Å; A484-F487 PolarHBondContact O-N 2.97Å; A484-R488 WeakPolarHBondContact O-CB 3.4Å; A484-R488 WeakPolarHBondContact O-CG 3.49Å; A484-R488 PolarHBondContact O-N 3.25Å |
| 485 | A | 89.5 | Confident | 83.4 | Confident | 52 Ų | 52 | 29.1 Ų | 29.1 | 43% | 0.43 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R481 R483 R488 S489 | R481-A485 WeakPolarHBondContact O-CB 3.21Å; R481-A485 PolarHBondContact O-N 3.12Å; R483-A485 VanDerWaalsContact C-N 3.25Å; R483-A485 PolarHBondContact O-N 3.34Å; A485-R488 PolarHBondContact O-N 2.68Å; A485-S489 PolarHBondContact O-N 3.14Å |
| 486 | L | 86.3 | Confident | 84.8 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 175.4 | -80.8 | 175.8 | 0 | 0 | 0 | 112.7 | F175 N182 V185 L186 L452 A482 R483 R488 S489 Q490 | F175-L486 HydrophobicContact CD2-CD2 3.87Å; F175-L486 HydrophobicContact CE1-CD2 4.39Å; F175-L486 HydrophobicContact CE2-CD2 3.66Å; F175-L486 HydrophobicContact CG-CD2 4.38Å; F175-L486 HydrophobicContact CZ-CD2 3.91Å; N182-L486 HydrophobicContact CB-CD1 3.71Å; N182-L486 HydrophobicContact CB-CG 4.41Å; N182-L486 VanDerWaalsContact ND2-CD1 3.3Å; N182-L486 WeakPolarHBondContact ND2-CD1 3.28Å; N182-L486 VanDerWaalsContact ND2-CG 3.34Å; N182-L486 WeakPolarHBondContact ND2-CG 3.37Å; N182-L486 WeakPolarHBondContact OD1-CD1 3.03Å; V185-L486 HydrophobicContact CB-CD1 4.16Å; V185-L486 HydrophobicContact CG1-CD1 3.94Å; V185-L486 HydrophobicContact CG2-CD1 4.27Å; L186-L486 HydrophobicContact CD2-CD2 4.34Å; L452-L486 HydrophobicContact CD2-CB 3.84Å; L452-L486 HydrophobicContact CD2-CD1 4.34Å; A482-L486 PolarHBondContact O-N 2.85Å; R483-L486 PolarHBondContact O-N 2.87Å; L486-R488 VanDerWaalsContact C-N 3.34Å; L486-R488 PolarHBondContact O-N 3.31Å; L486-S489 PolarHBondContact O-N 3.4Å; L486-Q490 PolarHBondContact O-N 3.26Å |
| 487 | F | 86.1 | Confident | 86.3 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.9 | -38.4 | 178.6 | -78 | -66.2 | 0 | 0 | 0 | 112 | L280 F372 F376 L452 F453 M456 R483 A484 Q490 I491 | L280-F487 HydrophobicContact CD1-CB 3.61Å; L280-F487 HydrophobicContact CD2-CB 3.72Å; L280-F487 HydrophobicContact CD2-CD2 4.3Å; L280-F487 HydrophobicContact CD2-CG 4.28Å; L280-F487 HydrophobicContact CG-CB 4.32Å; F372-F487 HydrophobicContact CE1-CD1 4.03Å; F372-F487 HydrophobicContact CE1-CD2 4.27Å; F372-F487 AromaticContact CE1-CE1 3.76Å; F372-F487 HydrophobicContact CE1-CE1 3.76Å; F372-F487 HydrophobicContact CE1-CE2 4.06Å; F372-F487 HydrophobicContact CE1-CG 4.28Å; F372-F487 AromaticContact CE1-CZ 3.8Å; F372-F487 HydrophobicContact CE1-CZ 3.8Å; F372-F487 HydrophobicContact CZ-CB 4.32Å; F372-F487 AromaticContact CZ-CD1 3.66Å; F372-F487 HydrophobicContact CZ-CD1 3.66Å; F372-F487 HydrophobicContact CZ-CD2 4.1Å; F372-F487 AromaticContact CZ-CE1 3.89Å; F372-F487 HydrophobicContact CZ-CE1 3.89Å; F372-F487 HydrophobicContact CZ-CE2 4.34Å; F372-F487 AromaticContact CZ-CG 3.78Å; F372-F487 HydrophobicContact CZ-CG 3.78Å; F372-F487 HydrophobicContact CZ-CZ 4.24Å; F376-F487 HydrophobicContact CD1-CE1 4.48Å; F376-F487 HydrophobicContact CD2-CD1 4.03Å; F376-F487 HydrophobicContact CD2-CE1 4.33Å; F376-F487 HydrophobicContact CE1-CD1 4.37Å; F376-F487 HydrophobicContact CE1-CE1 4.16Å; F376-F487 AromaticContact CE2-CD1 3.52Å; F376-F487 HydrophobicContact CE2-CD1 3.52Å; F376-F487 HydrophobicContact CE2-CE1 4.05Å; F376-F487 AromaticContact CZ-CD1 3.7Å; F376-F487 HydrophobicContact CZ-CD1 3.7Å; F376-F487 AromaticContact CZ-CE1 3.95Å; F376-F487 HydrophobicContact CZ-CE1 3.95Å; L452-F487 HydrophobicContact CB-CD1 4.26Å; L452-F487 HydrophobicContact CB-CE1 3.58Å; L452-F487 HydrophobicContact CB-CZ 3.88Å; L452-F487 HydrophobicContact CD1-CD1 4.06Å; L452-F487 HydrophobicContact CD1-CE1 4.1Å; L452-F487 HydrophobicContact CG-CE1 4.36Å; F453-F487 HydrophobicContact CD1-CZ 4.02Å; F453-F487 HydrophobicContact CD2-CE1 4.33Å; F453-F487 HydrophobicContact CD2-CZ 4.31Å; F453-F487 HydrophobicContact CE1-CE1 4.11Å; F453-F487 AromaticContact CE1-CZ 3.72Å; F453-F487 HydrophobicContact CE1-CZ 3.72Å; F453-F487 AromaticContact CE2-CE1 3.78Å; F453-F487 HydrophobicContact CE2-CE1 3.78Å; F453-F487 HydrophobicContact CE2-CZ 4.07Å; F453-F487 HydrophobicContact CG-CZ 4.3Å; F453-F487 AromaticContact CZ-CE1 3.64Å; F453-F487 HydrophobicContact CZ-CE1 3.64Å; F453-F487 AromaticContact CZ-CZ 3.76Å; F453-F487 HydrophobicContact CZ-CZ 3.76Å; M456-F487 HydrophobicContact CE-CE2 3.38Å; M456-F487 HydrophobicContact CE-CZ 3.41Å; M456-F487 VanDerWaalsContact CE-CZ 3.41Å; M456-F487 HydrophobicContact SD-CE2 4.01Å; R483-F487 WeakPolarHBondContact O-CD2 3.37Å; R483-F487 PolarHBondContact O-N 3.3Å; A484-F487 PolarHBondContact O-N 2.97Å; F487-Q490 PolarHBondContact O-N 2.89Å; F487-I491 VanDerWaalsContact O-CG1 3.27Å; F487-I491 WeakPolarHBondContact O-CG1 3.43Å; F487-I491 PolarHBondContact O-N 2.92Å |
| 488 | R | 91.8 | Very high | 87.7 | Confident | 50 Ų | 50 | 30.6 Ų | 30.6 | 19% | 0.189 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -48.7 | 173.8 | -77 | -171 | -177.6 | 107 | -0 | 111.1 | L280 D281 E284 A484 A485 L486 Q490 I491 E492 | L280-R488 VanDerWaalsContact C-NH2 3.34Å; L280-R488 HydrophobicContact CB-CG 4.36Å; L280-R488 HydrophobicContact CD1-CB 4.41Å; L280-R488 HydrophobicContact CD1-CG 3.59Å; L280-R488 PolarHBondContact O-NH2 3Å; L280-R488 VanDerWaalsContact O-NH2 3.12Å; D281-R488 IonicContact OD1-CZ 2.84Å; D281-R488 IonicContact OD1-NE 2.98Å; D281-R488 IonicContact OD1-NH2 2.83Å; D281-R488 PolarHBondContact OD1-NH2 3.45Å; E284-R488 IonicContact OE2-NH1 3.26Å; A484-R488 WeakPolarHBondContact O-CB 3.4Å; A484-R488 WeakPolarHBondContact O-CG 3.49Å; A484-R488 PolarHBondContact O-N 3.25Å; A485-R488 PolarHBondContact O-N 2.68Å; L486-R488 VanDerWaalsContact C-N 3.34Å; L486-R488 PolarHBondContact O-N 3.31Å; R488-Q490 VanDerWaalsContact C-N 3.27Å; R488-Q490 PolarHBondContact O-N 3.24Å; R488-I491 PolarHBondContact O-N 3.47Å; R488-I491 VanDerWaalsContact O-N 3.1Å; R488-E492 WeakPolarHBondContact O-CB 3.28Å; R488-E492 VanDerWaalsContact O-CG 3.3Å; R488-E492 WeakPolarHBondContact O-CG 3.36Å; R488-E492 PolarHBondContact O-N 3.21Å |
| 489 | S | 91.9 | Very high | 88.5 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.2 | -39.6 | 176.1 | 170.2 | 0 | 0 | 0 | 0 | 112.6 | T174 A485 L486 S493 | T174-S489 PolarHBondContact OG1-OG 2.9Å; A485-S489 PolarHBondContact O-N 3.14Å; L486-S489 PolarHBondContact O-N 3.4Å; S489-S493 PolarHBondContact O-N 3.45Å; S489-S493 PolarHBondContact O-OG 2.9Å |
| 490 | Q | 90.1 | Very high | 89.4 | Confident | 11 Ų | 11 | 28.1 Ų | 28.1 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.7 | -44.3 | 174.7 | -175.9 | 58.7 | 33.2 | 0 | 0 | 112.8 | F376 L452 L486 F487 R488 E492 S493 W494 | F376-Q490 HydrophobicContact CE2-CG 4.33Å; F376-Q490 HydrophobicContact CZ-CB 4.2Å; F376-Q490 HydrophobicContact CZ-CG 3.69Å; L452-Q490 HydrophobicContact CD1-CB 3.76Å; L452-Q490 HydrophobicContact CD1-CG 3.75Å; L486-Q490 PolarHBondContact O-N 3.26Å; F487-Q490 PolarHBondContact O-N 2.89Å; R488-Q490 VanDerWaalsContact C-N 3.27Å; R488-Q490 PolarHBondContact O-N 3.24Å; Q490-E492 VanDerWaalsContact C-N 3.34Å; Q490-S493 WeakPolarHBondContact O-CB 3.09Å; Q490-S493 PolarHBondContact O-N 3.36Å; Q490-W494 HydrophobicContact CG-CD2 4.26Å; Q490-W494 HydrophobicContact CG-CH2 4.22Å; Q490-W494 HydrophobicContact CG-CZ2 3.86Å; Q490-W494 VanDerWaalsContact NE2-CE2 3.28Å; Q490-W494 PolarHBondContact O-N 3.27Å |
| 491 | I | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 178.5 | -67.4 | 163.6 | 0 | 0 | 0 | 111 | F269 Q273 L276 L277 L280 F376 F487 R488 S493 W494 E495 | F269-I491 HydrophobicContact CE2-CG2 4.23Å; F269-I491 HydrophobicContact CZ-CG2 4.29Å; Q273-I491 HydrophobicContact CG-CG2 4.08Å; L276-I491 HydrophobicContact CB-CD1 3.67Å; L276-I491 HydrophobicContact CD1-CD1 4.32Å; L276-I491 HydrophobicContact CD1-CG1 4.41Å; L277-I491 HydrophobicContact CD2-CD1 4.28Å; L277-I491 HydrophobicContact CD2-CG2 3.94Å; L277-I491 HydrophobicContact CG-CG2 4.26Å; L280-I491 HydrophobicContact CD1-CD1 3.62Å; F376-I491 HydrophobicContact CE2-CG1 4.21Å; F487-I491 VanDerWaalsContact O-CG1 3.27Å; F487-I491 WeakPolarHBondContact O-CG1 3.43Å; F487-I491 PolarHBondContact O-N 2.92Å; R488-I491 PolarHBondContact O-N 3.47Å; R488-I491 VanDerWaalsContact O-N 3.1Å; I491-S493 VanDerWaalsContact C-N 3.28Å; I491-S493 PolarHBondContact O-N 3.48Å; I491-W494 HydrophobicContact CB-CE3 4.48Å; I491-W494 HydrophobicContact CG1-CE3 4.04Å; I491-W494 HydrophobicContact CG1-CZ3 4.1Å; I491-W494 PolarHBondContact O-N 2.62Å; I491-E495 WeakPolarHBondContact O-CB 3.03Å; I491-E495 PolarHBondContact O-N 2.91Å |
| 492 | E | 94.1 | Very high | 90.7 | Very high | 90 Ų | 90 | 28.1 Ų | 28.1 | 42% | 0.421 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 174.1 | -73.6 | 169.3 | -170.3 | 0 | 0 | 111.4 | R488 Q490 E495 K496 | R488-E492 WeakPolarHBondContact O-CB 3.28Å; R488-E492 VanDerWaalsContact O-CG 3.3Å; R488-E492 WeakPolarHBondContact O-CG 3.36Å; R488-E492 PolarHBondContact O-N 3.21Å; Q490-E492 VanDerWaalsContact C-N 3.34Å; E492-E495 WeakPolarHBondContact O-CB 3.39Å; E492-E495 PolarHBondContact O-N 2.89Å; E492-K496 WeakPolarHBondContact O-CG 3.46Å; E492-K496 PolarHBondContact O-N 2.97Å |
| 493 | S | 93.3 | Very high | 91 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 174 | -59 | 0 | 0 | 0 | 0 | 111.7 | D171 S489 Q490 I491 E495 K496 I497 | D171-S493 PolarHBondContact N-OG 3.2Å; S489-S493 PolarHBondContact O-N 3.45Å; S489-S493 PolarHBondContact O-OG 2.9Å; Q490-S493 WeakPolarHBondContact O-CB 3.09Å; Q490-S493 PolarHBondContact O-N 3.36Å; I491-S493 VanDerWaalsContact C-N 3.28Å; I491-S493 PolarHBondContact O-N 3.48Å; S493-E495 VanDerWaalsContact C-N 3.31Å; S493-E495 PolarHBondContact O-N 3.32Å; S493-K496 WeakPolarHBondContact O-CB 3.33Å; S493-K496 PolarHBondContact O-N 3.4Å; S493-I497 WeakPolarHBondContact O-CG1 3.12Å; S493-I497 PolarHBondContact O-N 2.6Å; S493-I497 VanDerWaalsContact O-N 3.13Å |
| 494 | W | 94.3 | Very high | 91 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -36.1 | 172.6 | -66.4 | -30.3 | 0 | 0 | 0 | 112.9 | F265 F269 L276 F376 V379 Q380 L383 Q490 I491 I497 C498 | F265-W494 HydrophobicContact CZ-CB 4.17Å; F269-W494 HydrophobicContact CD2-CB 3.81Å; F269-W494 HydrophobicContact CD2-CE3 4.43Å; F269-W494 HydrophobicContact CE2-CB 3.41Å; F269-W494 VanDerWaalsContact CE2-CB 3.41Å; F269-W494 HydrophobicContact CE2-CE3 4.14Å; F269-W494 HydrophobicContact CE2-CG 4.39Å; F269-W494 HydrophobicContact CZ-CB 4.03Å; L276-W494 HydrophobicContact CD1-CZ3 4.28Å; F376-W494 AromaticContact CD1-CH2 3.74Å; F376-W494 HydrophobicContact CD1-CH2 3.74Å; F376-W494 AromaticContact CD2-CH2 3.63Å; F376-W494 HydrophobicContact CD2-CH2 3.63Å; F376-W494 AromaticContact CD2-CZ3 3.62Å; F376-W494 HydrophobicContact CD2-CZ3 3.62Å; F376-W494 AromaticContact CE1-CH2 3.46Å; F376-W494 HydrophobicContact CE1-CH2 3.46Å; F376-W494 VanDerWaalsContact CE1-CH2 3.46Å; F376-W494 HydrophobicContact CE1-CZ2 4.06Å; F376-W494 HydrophobicContact CE1-CZ3 4.36Å; F376-W494 HydrophobicContact CE2-CE3 4.45Å; F376-W494 AromaticContact CE2-CH2 3.3Å; F376-W494 HydrophobicContact CE2-CH2 3.3Å; F376-W494 HydrophobicContact CE2-CZ2 4.35Å; F376-W494 AromaticContact CE2-CZ3 3.35Å; F376-W494 HydrophobicContact CE2-CZ3 3.35Å; F376-W494 AromaticContact CG-CH2 3.83Å; F376-W494 HydrophobicContact CG-CH2 3.83Å; F376-W494 HydrophobicContact CG-CZ3 4.22Å; F376-W494 AromaticContact CZ-CH2 3.22Å; F376-W494 HydrophobicContact CZ-CH2 3.22Å; F376-W494 AromaticContact CZ-CZ2 3.92Å; F376-W494 HydrophobicContact CZ-CZ2 3.92Å; F376-W494 AromaticContact CZ-CZ3 3.78Å; F376-W494 HydrophobicContact CZ-CZ3 3.78Å; V379-W494 HydrophobicContact CB-CE3 4.15Å; V379-W494 HydrophobicContact CB-CH2 3.94Å; V379-W494 HydrophobicContact CB-CZ2 4.35Å; V379-W494 HydrophobicContact CB-CZ3 3.85Å; V379-W494 HydrophobicContact CG1-CD2 3.55Å; V379-W494 HydrophobicContact CG1-CE3 3.53Å; V379-W494 HydrophobicContact CG1-CG 4.08Å; V379-W494 HydrophobicContact CG1-CH2 4.01Å; V379-W494 HydrophobicContact CG1-CZ2 4.07Å; V379-W494 HydrophobicContact CG1-CZ3 3.76Å; V379-W494 HydrophobicContact CG2-CZ3 4.4Å; Q380-W494 HydrophobicContact CB-CZ2 4.18Å; L383-W494 VanDerWaalsContact CD1-CD1 3.5Å; Q490-W494 HydrophobicContact CG-CD2 4.26Å; Q490-W494 HydrophobicContact CG-CH2 4.22Å; Q490-W494 HydrophobicContact CG-CZ2 3.86Å; Q490-W494 VanDerWaalsContact NE2-CE2 3.28Å; Q490-W494 PolarHBondContact O-N 3.27Å; I491-W494 HydrophobicContact CB-CE3 4.48Å; I491-W494 HydrophobicContact CG1-CE3 4.04Å; I491-W494 HydrophobicContact CG1-CZ3 4.1Å; I491-W494 PolarHBondContact O-N 2.62Å; W494-I497 PolarHBondContact O-N 3.47Å; W494-C498 WeakPolarHBondContact O-CB 3.1Å; W494-C498 PolarHBondContact O-N 3.41Å |
| 495 | E | 95.8 | Very high | 90.3 | Very high | 70 Ų | 70 | 43.4 Ų | 43.4 | 33% | 0.327 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 174.6 | -177.5 | 166.7 | -148.7 | 0 | 0 | 111.6 | F269 Q273 I491 E492 S493 I497 C498 N499 | F269-E495 HydrophobicContact CE1-CB 4Å; F269-E495 HydrophobicContact CE1-CG 4.45Å; F269-E495 HydrophobicContact CZ-CB 3.77Å; Q273-E495 PolarHBondContact NE2-OE1 3.01Å; Q273-E495 VanDerWaalsContact NE2-OE1 3.14Å; Q273-E495 PolarHBondContact NE2-OE2 2.75Å; I491-E495 WeakPolarHBondContact O-CB 3.03Å; I491-E495 PolarHBondContact O-N 2.91Å; E492-E495 WeakPolarHBondContact O-CB 3.39Å; E492-E495 PolarHBondContact O-N 2.89Å; S493-E495 VanDerWaalsContact C-N 3.31Å; S493-E495 PolarHBondContact O-N 3.32Å; E495-I497 PolarHBondContact O-N 2.86Å; E495-C498 PolarHBondContact O-N 3.04Å; E495-N499 VanDerWaalsContact O-CB 3.31Å; E495-N499 WeakPolarHBondContact O-CB 3.13Å; E495-N499 PolarHBondContact O-N 2.81Å; E495-N499 PolarHBondContact O-ND2 3.43Å |
| 496 | K | 95.4 | Very high | 89 | Confident | 108 Ų | 108 | 44 Ų | 44 | 47% | 0.47 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 173.4 | -71.8 | 174.7 | -175.1 | 179.6 | 0 | 111.6 | D171 E492 S493 N499 S500 | D171-K496 IonicContact OD2-NZ 3.8Å; D171-K496 PolarHBondContact OD2-NZ 2.67Å; E492-K496 WeakPolarHBondContact O-CG 3.46Å; E492-K496 PolarHBondContact O-N 2.97Å; S493-K496 WeakPolarHBondContact O-CB 3.33Å; S493-K496 PolarHBondContact O-N 3.4Å; K496-N499 PolarHBondContact O-N 3.05Å; K496-S500 WeakPolarHBondContact O-CB 3.24Å; K496-S500 PolarHBondContact O-N 2.86Å |
| 497 | I | 94.4 | Very high | 87.9 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -51.6 | 174.8 | -63 | 168.8 | 0 | 0 | 0 | 109.6 | K169 M253 F257 F265 L383 S493 W494 E495 N499 S500 L501 | K169-I497 HydrophobicContact CB-CD1 3.91Å; K169-I497 HydrophobicContact CB-CG1 4.18Å; M253-I497 HydrophobicContact CE-CG1 4.31Å; M253-I497 HydrophobicContact CG-CG2 4.31Å; M253-I497 HydrophobicContact SD-CB 4.46Å; M253-I497 HydrophobicContact SD-CG1 4.12Å; M253-I497 HydrophobicContact SD-CG2 4.07Å; F257-I497 HydrophobicContact CE2-CG2 4.23Å; F257-I497 HydrophobicContact CZ-CG2 4.24Å; F265-I497 HydrophobicContact CD1-CG2 4.39Å; F265-I497 HydrophobicContact CE1-CB 4.18Å; F265-I497 HydrophobicContact CE1-CG2 3.69Å; F265-I497 HydrophobicContact CZ-CB 4.31Å; F265-I497 HydrophobicContact CZ-CG2 4.12Å; L383-I497 HydrophobicContact CD1-CD1 4.42Å; S493-I497 WeakPolarHBondContact O-CG1 3.12Å; S493-I497 PolarHBondContact O-N 2.6Å; S493-I497 VanDerWaalsContact O-N 3.13Å; W494-I497 PolarHBondContact O-N 3.47Å; E495-I497 PolarHBondContact O-N 2.86Å; I497-N499 VanDerWaalsContact C-N 3.34Å; I497-N499 PolarHBondContact O-N 3.44Å; I497-S500 WeakPolarHBondContact O-CB 3.39Å; I497-S500 PolarHBondContact O-N 2.69Å; I497-L501 HydrophobicContact CG2-CD1 3.75Å; I497-L501 HydrophobicContact CG2-CG 4.26Å; I497-L501 VanDerWaalsContact O-CG 3.23Å; I497-L501 WeakPolarHBondContact O-CG 3.38Å; I497-L501 PolarHBondContact O-N 3.2Å |
| 498 | C | 94.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | -178.1 | -169.4 | 0 | 0 | 0 | 0 | 112.8 | F265 F269 H270 W494 E495 L501 C502 | F265-C498 HydrophobicContact CE1-CB 3.93Å; F269-C498 HydrophobicContact CD1-CB 3.61Å; F269-C498 HydrophobicContact CE1-CB 3.98Å; F269-C498 HydrophobicContact CG-CB 4.41Å; H270-C498 PolarHBondContact NE2-SG 2.98Å; H270-C498 VanDerWaalsContact NE2-SG 3.39Å; W494-C498 WeakPolarHBondContact O-CB 3.1Å; W494-C498 PolarHBondContact O-N 3.41Å; E495-C498 PolarHBondContact O-N 3.04Å; C498-L501 PolarHBondContact O-N 2.74Å; C498-C502 WeakPolarHBondContact O-CB 3.13Å; C498-C502 PolarHBondContact O-N 3.36Å; C498-C502 PolarHBondContact O-SG 3.29Å |
| 499 | N | 95.2 | Very high | 85.6 | Confident | 73 Ų | 73 | 53.4 Ų | 53.4 | 39% | 0.39 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 177.5 | -75.5 | -26.8 | 0 | 0 | 0 | 111.4 | E495 K496 I497 C502 Q503 | E495-N499 VanDerWaalsContact O-CB 3.31Å; E495-N499 WeakPolarHBondContact O-CB 3.13Å; E495-N499 PolarHBondContact O-N 2.81Å; E495-N499 PolarHBondContact O-ND2 3.43Å; K496-N499 PolarHBondContact O-N 3.05Å; I497-N499 VanDerWaalsContact C-N 3.34Å; I497-N499 PolarHBondContact O-N 3.44Å; N499-C502 PolarHBondContact O-N 3.32Å; N499-Q503 WeakPolarHBondContact O-CB 3.49Å; N499-Q503 VanDerWaalsContact O-CG 3.27Å; N499-Q503 WeakPolarHBondContact O-CG 3.34Å; N499-Q503 PolarHBondContact O-N 3.21Å |
| 500 | S | 93.5 | Very high | 84.5 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | D250 M253 K496 I497 C502 Q503 S504 | D250-S500 WeakPolarHBondContact CA-OG 3.32Å; D250-S500 WeakPolarHBondContact CB-O 3.45Å; D250-S500 WeakPolarHBondContact OD1-CA 3.33Å; D250-S500 VanDerWaalsContact OD1-CB 3.31Å; D250-S500 WeakPolarHBondContact OD1-CB 3.37Å; D250-S500 PolarHBondContact OD1-OG 3.35Å; M253-S500 WeakPolarHBondContact CB-OG 3.06Å; K496-S500 WeakPolarHBondContact O-CB 3.24Å; K496-S500 PolarHBondContact O-N 2.86Å; I497-S500 WeakPolarHBondContact O-CB 3.39Å; I497-S500 PolarHBondContact O-N 2.69Å; S500-C502 VanDerWaalsContact C-N 3.34Å; S500-C502 PolarHBondContact O-N 3.16Å; S500-Q503 PolarHBondContact O-N 2.94Å; S500-Q503 VanDerWaalsContact O-N 3.09Å; S500-S504 PolarHBondContact O-N 3.33Å |
| 501 | L | 91.9 | Very high | 83.3 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 174.4 | -60.2 | 167.5 | 0 | 0 | 0 | 112.5 | M253 E254 F257 F265 I266 I497 C498 Q503 | M253-L501 HydrophobicContact CG-CD2 4Å; M253-L501 HydrophobicContact CG-CG 4.28Å; E254-L501 HydrophobicContact CB-CD2 4.16Å; E254-L501 VanDerWaalsContact OE2-CD2 3.25Å; E254-L501 WeakPolarHBondContact OE2-CD2 3.4Å; F257-L501 HydrophobicContact CD2-CD1 4.47Å; F257-L501 HydrophobicContact CD2-CD2 3.8Å; F257-L501 HydrophobicContact CE1-CD1 4.41Å; F257-L501 HydrophobicContact CE2-CD1 3.68Å; F257-L501 HydrophobicContact CE2-CD2 3.67Å; F257-L501 HydrophobicContact CE2-CG 4.22Å; F257-L501 HydrophobicContact CZ-CD1 3.64Å; F257-L501 HydrophobicContact CZ-CD2 4.45Å; F265-L501 HydrophobicContact CD1-CD1 3.62Å; F265-L501 HydrophobicContact CE1-CD1 3.98Å; I266-L501 HydrophobicContact CD1-CB 3.82Å; I266-L501 HydrophobicContact CG1-CB 4.21Å; I266-L501 HydrophobicContact CG1-CD1 4.2Å; I497-L501 HydrophobicContact CG2-CD1 3.75Å; I497-L501 HydrophobicContact CG2-CG 4.26Å; I497-L501 VanDerWaalsContact O-CG 3.23Å; I497-L501 WeakPolarHBondContact O-CG 3.38Å; I497-L501 PolarHBondContact O-N 3.2Å; C498-L501 PolarHBondContact O-N 2.74Å; L501-Q503 VanDerWaalsContact C-N 3.3Å; L501-Q503 PolarHBondContact O-N 3.28Å |
| 502 | C | 90.6 | Very high | 82.2 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 47% | 0.473 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.2 | -28.1 | 174.7 | -69.9 | 0 | 0 | 0 | 0 | 113.3 | C498 N499 S500 | C498-C502 WeakPolarHBondContact O-CB 3.13Å; C498-C502 PolarHBondContact O-N 3.36Å; C498-C502 PolarHBondContact O-SG 3.29Å; N499-C502 PolarHBondContact O-N 3.32Å; S500-C502 VanDerWaalsContact C-N 3.34Å; S500-C502 PolarHBondContact O-N 3.16Å |
| 503 | Q | 88.3 | Confident | 81.3 | Confident | 119 Ų | 119 | 60.6 Ų | 60.6 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -86.8 | -19 | -178.3 | -74.7 | 178.5 | 29.8 | 0 | 0 | 113.2 | D250 N499 S500 L501 K505 | D250-Q503 WeakPolarHBondContact OD2-CB 3.48Å; N499-Q503 WeakPolarHBondContact O-CB 3.49Å; N499-Q503 VanDerWaalsContact O-CG 3.27Å; N499-Q503 WeakPolarHBondContact O-CG 3.34Å; N499-Q503 PolarHBondContact O-N 3.21Å; S500-Q503 PolarHBondContact O-N 2.94Å; S500-Q503 VanDerWaalsContact O-N 3.09Å; L501-Q503 VanDerWaalsContact C-N 3.3Å; L501-Q503 PolarHBondContact O-N 3.28Å; Q503-K505 WeakPolarHBondContact O-CG 3.21Å; Q503-K505 PolarHBondContact O-N 3.32Å |
| 504 | S | 81.8 | Confident | 80.4 | Confident | 23 Ų | 23 | 62 Ų | 62 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | trans | -52.9 | 111.2 | 173.6 | -176 | 0 | 0 | 0 | 0 | 110.6 | S500 | S500-S504 PolarHBondContact O-N 3.33Š| ||
| 505 | K | 64.9 | Low | 79.6 | Confident | 195 Ų | 195 | 62.6 Ų | 62.6 | 85% | 0.848 | 31% | 0.31 | S | S | * | . | trans | -82.2 | -14.9 | -169.6 | -67.3 | -178.4 | -177.2 | 164.6 | 0 | 114.3 | Q503 | Q503-K505 WeakPolarHBondContact O-CG 3.21Å; Q503-K505 PolarHBondContact O-N 3.32Å | ||
| 506 | L | 62.8 | Low | 78.6 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 34% | 0.335 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -118.4 | 133.7 | -173.8 | -73.9 | 165.9 | 0 | 0 | 0 | 108 | E510 N511 | L506-E510 HydrophobicContact CD2-CB 4.49Å; L506-N511 VanDerWaalsContact CB-CG 3.5Å; L506-N511 WeakPolarHBondContact CB-ND2 3.3Å; L506-N511 WeakPolarHBondContact CB-OD1 3.42Å; L506-N511 WeakPolarHBondContact CD1-OD1 3.34Å; L506-N511 PolarHBondContact O-ND2 3.19Å; L506-N511 VanDerWaalsContact O-ND2 3.14Å |
| 507 | T | 64.1 | Low | 77.7 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | trans | -63.2 | 148.8 | 177.8 | 62.2 | 0 | 0 | 0 | 0 | 109.8 | E509 E510 N511 | T507-E509 PolarHBondContact O-N 2.9Å; T507-E510 WeakPolarHBondContact CB-OE2 3.49Å; T507-E510 WeakPolarHBondContact CG2-OE2 3.31Å; T507-E510 PolarHBondContact N-OE2 3.17Å; T507-E510 PolarHBondContact O-N 3.33Å; T507-E510 WeakPolarHBondContact OG1-CB 3.3Å; T507-E510 WeakPolarHBondContact OG1-CG 3.38Å; T507-E510 PolarHBondContact OG1-N 3.5Å; T507-E510 PolarHBondContact OG1-OE2 2.91Å; T507-N511 PolarHBondContact O-N 3.45Å; T507-N511 VanDerWaalsContact O-N 3.1Å; T507-N511 PolarHBondContact O-ND2 3Å | ||
| 508 | K | 63.2 | Low | 76.7 | Confident | 65 Ų | 65 | 65.9 Ų | 65.9 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -45.3 | -40 | 172.8 | 172.5 | 175.4 | 157.8 | 180 | 0 | 112.5 | Q258 D259 V260 K512 | Q258-K508 WeakPolarHBondContact O-CE 3.37Å; Q258-K508 PolarHBondContact O-NZ 2.99Å; D259-K508 VanDerWaalsContact C-NZ 3.27Å; D259-K508 PolarHBondContact O-NZ 3.11Å; D259-K508 VanDerWaalsContact O-NZ 3.13Å; V260-K508 PolarHBondContact O-NZ 3.31Å; K508-K512 VanDerWaalsContact O-CB 3.3Å; K508-K512 WeakPolarHBondContact O-CB 3.48Å; K508-K512 PolarHBondContact O-N 3.39Å |
| 509 | E | 65.8 | Low | 75.5 | Confident | 116 Ų | 116 | 66.5 Ų | 66.5 | 54% | 0.542 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.5 | -45.9 | 180 | -165.1 | 62.3 | -161 | 0 | 0 | 112.6 | T507 N511 K512 N513 | T507-E509 PolarHBondContact O-N 2.9Å; E509-N511 VanDerWaalsContact C-N 3.31Å; E509-N511 PolarHBondContact O-N 3.02Å; E509-K512 PolarHBondContact O-N 3.28Å; E509-N513 VanDerWaalsContact O-CB 3.31Å; E509-N513 WeakPolarHBondContact O-CB 3.38Å; E509-N513 PolarHBondContact O-N 2.99Å; E509-N513 PolarHBondContact O-ND2 3.37Å |
| 510 | E | 67.8 | Low | 74 | Confident | 95 Ų | 95 | 66.9 Ų | 66.9 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 177 | -74.1 | 162.9 | 145.8 | 0 | 0 | 111.5 | L506 T507 N513 I514 | L506-E510 HydrophobicContact CD2-CB 4.49Å; T507-E510 WeakPolarHBondContact CB-OE2 3.49Å; T507-E510 WeakPolarHBondContact CG2-OE2 3.31Å; T507-E510 PolarHBondContact N-OE2 3.17Å; T507-E510 PolarHBondContact O-N 3.33Å; T507-E510 WeakPolarHBondContact OG1-CB 3.3Å; T507-E510 WeakPolarHBondContact OG1-CG 3.38Å; T507-E510 PolarHBondContact OG1-N 3.5Å; T507-E510 PolarHBondContact OG1-OE2 2.91Å; E510-N513 PolarHBondContact O-N 3.34Å; E510-I514 WeakPolarHBondContact O-CD1 3.49Å; E510-I514 VanDerWaalsContact O-CG1 3.24Å; E510-I514 WeakPolarHBondContact O-CG1 2.76Å; E510-I514 PolarHBondContact O-N 3.08Å |
| 511 | N | 66.1 | Low | 72.1 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -72.5 | -41.6 | -179.6 | -68.7 | -45.5 | 0 | 0 | 0 | 113.5 | F251 L506 T507 E509 N513 I514 L515 | F251-N511 HydrophobicContact CD2-CB 3.97Å; F251-N511 VanDerWaalsContact CD2-CG 3.47Å; F251-N511 WeakPolarHBondContact CD2-ND2 3.48Å; F251-N511 HydrophobicContact CE2-CB 3.08Å; F251-N511 WeakPolarHBondContact CE2-ND2 3.32Å; F251-N511 HydrophobicContact CZ-CB 3.53Å; L506-N511 VanDerWaalsContact CB-CG 3.5Å; L506-N511 WeakPolarHBondContact CB-ND2 3.3Å; L506-N511 WeakPolarHBondContact CB-OD1 3.42Å; L506-N511 WeakPolarHBondContact CD1-OD1 3.34Å; L506-N511 PolarHBondContact O-ND2 3.19Å; L506-N511 VanDerWaalsContact O-ND2 3.14Å; T507-N511 PolarHBondContact O-N 3.45Å; T507-N511 VanDerWaalsContact O-N 3.1Å; T507-N511 PolarHBondContact O-ND2 3Å; E509-N511 VanDerWaalsContact C-N 3.31Å; E509-N511 PolarHBondContact O-N 3.02Å; N511-N513 PolarHBondContact O-N 3.45Å; N511-I514 PolarHBondContact O-N 2.9Å; N511-I514 VanDerWaalsContact O-N 3.1Å; N511-L515 WeakPolarHBondContact O-CG 3.21Å; N511-L515 PolarHBondContact O-N 2.83Å |
| 512 | K | 68.9 | Low | 69.9 | Low | 79 Ų | 79 | 79.3 Ų | 79.3 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 174.3 | -171.2 | 171.7 | -176.7 | 171.4 | 0 | 110.2 | D259 K508 E509 I514 L515 Q516 | D259-K512 IonicContact OD1-NZ 3.93Å; K508-K512 VanDerWaalsContact O-CB 3.3Å; K508-K512 WeakPolarHBondContact O-CB 3.48Å; K508-K512 PolarHBondContact O-N 3.39Å; E509-K512 PolarHBondContact O-N 3.28Å; K512-I514 PolarHBondContact O-N 3.1Å; K512-L515 PolarHBondContact O-N 2.82Å; K512-Q516 VanDerWaalsContact O-CB 3.28Å; K512-Q516 WeakPolarHBondContact O-CB 3.43Å; K512-Q516 VanDerWaalsContact O-CG 3.23Å; K512-Q516 WeakPolarHBondContact O-CG 3.14Å; K512-Q516 PolarHBondContact O-N 3.42Å |
| 513 | N | 75.5 | Confident | 67.6 | Low | 83 Ų | 83 | 80.3 Ų | 80.3 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 174.7 | -72.3 | -33.8 | 0 | 0 | 0 | 112.8 | E509 E510 N511 Q516 M517 | E509-N513 VanDerWaalsContact O-CB 3.31Å; E509-N513 WeakPolarHBondContact O-CB 3.38Å; E509-N513 PolarHBondContact O-N 2.99Å; E509-N513 PolarHBondContact O-ND2 3.37Å; E510-N513 PolarHBondContact O-N 3.34Å; N511-N513 PolarHBondContact O-N 3.45Å; N513-Q516 CarbonylContact O-C 3.43Å; N513-Q516 PolarHBondContact O-N 2.69Å; N513-M517 PolarHBondContact O-N 3Å |
| 514 | I | 72.9 | Confident | 65.3 | Low | 33 Ų | 33 | 81.2 Ų | 81.2 | 17% | 0.169 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 176.1 | -68.2 | 160.1 | 0 | 0 | 0 | 111.5 | L241 L242 I245 E510 N511 K512 Q516 M517 | L241-I514 HydrophobicContact CD2-CD1 4.16Å; L241-I514 HydrophobicContact CD2-CG1 4.31Å; L241-I514 HydrophobicContact CD2-CG2 3.87Å; L241-I514 HydrophobicContact CG-CG2 4.16Å; L242-I514 HydrophobicContact CD2-CG2 4.01Å; I245-I514 HydrophobicContact CD1-CB 4.1Å; I245-I514 HydrophobicContact CD1-CD1 3.98Å; I245-I514 HydrophobicContact CD1-CG2 3.48Å; I245-I514 VanDerWaalsContact CD1-CG2 3.48Å; E510-I514 WeakPolarHBondContact O-CD1 3.49Å; E510-I514 VanDerWaalsContact O-CG1 3.24Å; E510-I514 WeakPolarHBondContact O-CG1 2.76Å; E510-I514 PolarHBondContact O-N 3.08Å; N511-I514 PolarHBondContact O-N 2.9Å; N511-I514 VanDerWaalsContact O-N 3.1Å; K512-I514 PolarHBondContact O-N 3.1Å; I514-Q516 VanDerWaalsContact C-N 3.26Å; I514-Q516 PolarHBondContact O-N 3.16Å; I514-M517 WeakPolarHBondContact O-CB 3.33Å; I514-M517 PolarHBondContact O-N 3.12Å |
| 515 | L | 77.2 | Confident | 63.1 | Low | 13 Ų | 13 | 86.3 Ų | 86.3 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.3 | -29.7 | 177.4 | -64.6 | 180 | 0 | 0 | 0 | 112.4 | V128 S130 H132 L242 I245 F251 F255 N511 K512 | V128-L515 WeakPolarHBondContact O-CD2 3.25Å; S130-L515 PolarHBondContact OG-O 3.38Å; H132-L515 PolarHBondContact ND1-O 3.23Å; L242-L515 HydrophobicContact CD2-CD2 3.79Å; I245-L515 HydrophobicContact CG2-CD2 4.48Å; F251-L515 HydrophobicContact CE1-CD1 4.45Å; F251-L515 HydrophobicContact CZ-CD1 4.3Å; F255-L515 HydrophobicContact CE2-CD1 3.87Å; F255-L515 HydrophobicContact CZ-CD1 4.43Å; N511-L515 WeakPolarHBondContact O-CG 3.21Å; N511-L515 PolarHBondContact O-N 2.83Å; K512-L515 PolarHBondContact O-N 2.82Å |
| 516 | Q | 74.9 | Confident | 61.8 | Low | 106 Ų | 106 | 82.9 Ų | 82.9 | 50% | 0.495 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.8 | 177.8 | -68.8 | -178.4 | -8.8 | 0 | 0 | 114.1 | H132 K512 N513 I514 A518 | H132-Q516 VanDerWaalsContact CE1-C 3.49Å; H132-Q516 WeakPolarHBondContact CE1-CA 3.42Å; H132-Q516 PolarHBondContact CE1-O 2.96Å; H132-Q516 PolarHBondContact NE2-O 3.3Å; K512-Q516 VanDerWaalsContact O-CB 3.28Å; K512-Q516 WeakPolarHBondContact O-CB 3.43Å; K512-Q516 VanDerWaalsContact O-CG 3.23Å; K512-Q516 WeakPolarHBondContact O-CG 3.14Å; K512-Q516 PolarHBondContact O-N 3.42Å; N513-Q516 CarbonylContact O-C 3.43Å; N513-Q516 PolarHBondContact O-N 2.69Å; I514-Q516 VanDerWaalsContact C-N 3.26Å; I514-Q516 PolarHBondContact O-N 3.16Å; Q516-A518 PolarHBondContact O-N 3.06Å |
| 517 | M | 76.6 | Confident | 60.5 | Low | 99 Ų | 99 | 87 Ų | 87 | 49% | 0.488 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -69.4 | 125 | 179.8 | -162.4 | 171.1 | 83.7 | 0 | 0 | 109.6 | Q238 N513 I514 F519 | Q238-M517 HydrophobicContact CG-CE 3.92Å; Q238-M517 PolarHBondContact NE2-O 3.21Å; N513-M517 PolarHBondContact O-N 3Å; I514-M517 WeakPolarHBondContact O-CB 3.33Å; I514-M517 PolarHBondContact O-N 3.12Å; M517-F519 PolarHBondContact O-N 2.91Å |
| 518 | A | 74 | Confident | 58.9 | Low | 48 Ų | 48 | 89.2 Ų | 89.2 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | trans | -53.6 | 135.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q238 Q516 L520 | Q238-A518 PolarHBondContact NE2-O 3.29Å; Q516-A518 PolarHBondContact O-N 3.06Å; A518-L520 WeakPolarHBondContact CB-O 3.23Å; A518-L520 PolarHBondContact O-N 2.74Å | ||
| 519 | F | 69.2 | Low | 57.6 | Low | 12 Ų | 12 | 94.2 Ų | 94.2 | 5% | 0.053 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -70.7 | -22.9 | -178.6 | -172.4 | -125.6 | 0 | 0 | 0 | 112.5 | L20 H132 V133 I140 M235 I239 M517 | L20-F519 HydrophobicContact CD1-CE1 4.38Å; L20-F519 HydrophobicContact CD1-CE2 4.47Å; L20-F519 HydrophobicContact CD1-CZ 3.72Å; L20-F519 HydrophobicContact CD2-CE1 4.18Å; L20-F519 HydrophobicContact CD2-CZ 3.89Å; L20-F519 HydrophobicContact CG-CZ 4.46Å; H132-F519 HydrophobicContact CB-CB 4.38Å; H132-F519 WeakPolarHBondContact O-CB 2.95Å; V133-F519 HydrophobicContact CG2-CD2 4.07Å; V133-F519 HydrophobicContact CG2-CE2 4.33Å; V133-F519 HydrophobicContact CG2-CG 4.47Å; I140-F519 HydrophobicContact CD1-CE1 4.49Å; M235-F519 HydrophobicContact CB-CE2 4.46Å; M235-F519 HydrophobicContact CE-CD1 3.64Å; M235-F519 HydrophobicContact CE-CD2 4.32Å; M235-F519 HydrophobicContact CE-CE1 3.14Å; M235-F519 HydrophobicContact CE-CE2 3.87Å; M235-F519 HydrophobicContact CE-CG 4.21Å; M235-F519 HydrophobicContact CE-CZ 3.26Å; I239-F519 HydrophobicContact CD1-CD2 4.23Å; I239-F519 HydrophobicContact CD1-CE2 3.41Å; I239-F519 VanDerWaalsContact CD1-CE2 3.41Å; I239-F519 HydrophobicContact CD1-CZ 3.97Å; I239-F519 HydrophobicContact CG1-CE2 3.76Å; I239-F519 HydrophobicContact CG1-CZ 4.23Å; M517-F519 PolarHBondContact O-N 2.91Å |
| 520 | L | 64.8 | Low | 56 | Low | 81 Ų | 81 | 94.3 Ų | 94.3 | 42% | 0.424 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -131.8 | 134.3 | 169 | -70.6 | 168.1 | 0 | 0 | 0 | 108.9 | I139 L227 M235 A518 | I139-L520 HydrophobicContact CD1-CD1 3.74Å; I139-L520 HydrophobicContact CD1-CD2 4.04Å; I139-L520 HydrophobicContact CD1-CG 4.2Å; L227-L520 HydrophobicContact CD2-CD2 4.43Å; M235-L520 HydrophobicContact CE-CD2 3.71Å; M235-L520 HydrophobicContact CE-CG 4.15Å; M235-L520 HydrophobicContact SD-CD2 3.71Å; A518-L520 WeakPolarHBondContact CB-O 3.23Å; A518-L520 PolarHBondContact O-N 2.74Å |
| 521 | Q | 52.7 | Low | 54.5 | Low | 169 Ų | 169 | 94.9 Ų | 94.9 | 79% | 0.79 | 48% | 0.476 | S | S | * | . | trans | -84.5 | 111.4 | 161.7 | -92.3 | 170.6 | -33.5 | 0 | 0 | 107.6 | D523 | Q521-D523 PolarHBondContact O-N 3.08Š| ||
| 522 | D | 45.2 | Very low | 53.1 | Low | 114 Ų | 114 | 100.2 Ų | 100.2 | 61% | 0.61 | 51% | 0.513 | S | S | * | . | trans | -63.9 | 107.2 | 168.9 | -149.9 | 6.9 | 0 | 0 | 0 | 106.4 | K524 | D522-K524 PolarHBondContact O-N 2.65Å; D522-K524 IonicContact OD1-NZ 2.79Å; D522-K524 WeakPolarHBondContact OD2-CD 3.45Å; D522-K524 WeakPolarHBondContact OD2-CE 3.25Å; D522-K524 IonicContact OD2-NZ 3.86Å; D522-K524 PolarHBondContact OD2-NZ 3.24Å | ||
| 523 | D | 42.3 | Very low | 51.7 | Low | 91 Ų | 91 | 100.5 Ų | 100.5 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 25.8 | -173.9 | -125.4 | 1 | 0 | 0 | 0 | 112.2 | Q521 D525 K526 | Q521-D523 PolarHBondContact O-N 3.08Å; D523-D525 PolarHBondContact O-N 3.02Å; D523-K526 PolarHBondContact O-N 3.49Å; D523-K526 IonicContact OD1-NZ 3.08Å; D523-K526 PolarHBondContact OD1-NZ 3.09Å; D523-K526 IonicContact OD2-NZ 2.61Å; D523-K526 PolarHBondContact OD2-NZ 3.22Å |
| 524 | K | 39.7 | Very low | 50 | Low | 138 Ų | 138 | 102.5 Ų | 102.5 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.6 | -18.2 | 177.4 | -73.1 | -174.5 | 179.6 | 136 | 0 | 113.2 | D522 | D522-K524 PolarHBondContact O-N 2.65Å; D522-K524 IonicContact OD1-NZ 2.79Å; D522-K524 WeakPolarHBondContact OD2-CD 3.45Å; D522-K524 WeakPolarHBondContact OD2-CE 3.25Å; D522-K524 IonicContact OD2-NZ 3.86Å; D522-K524 PolarHBondContact OD2-NZ 3.24Å |
| 525 | D | 36.6 | Very low | 48.1 | Very low | 130 Ų | 130 | 112.5 Ų | 112.5 | 70% | 0.695 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -82.2 | -9 | 176.9 | -79.5 | -19.5 | 0 | 0 | 0 | 114.4 | D523 | D523-D525 PolarHBondContact O-N 3.02Å |
| 526 | K | 38.4 | Very low | 46.6 | Very low | 124 Ų | 124 | 117.5 Ų | 117.5 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -86.3 | -27.2 | 172.9 | -75.5 | -164.7 | -167.8 | 105.7 | 0 | 113.5 | D523 | D523-K526 PolarHBondContact O-N 3.49Å; D523-K526 IonicContact OD1-NZ 3.08Å; D523-K526 PolarHBondContact OD1-NZ 3.09Å; D523-K526 IonicContact OD2-NZ 2.61Å; D523-K526 PolarHBondContact OD2-NZ 3.22Å |
| 527 | E | 33.8 | Very low | 45.1 | Very low | 151 Ų | 151 | 118.1 Ų | 118.1 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.1 | -33 | 174.9 | -81.9 | -171.7 | 148.3 | 0 | 0 | 112.1 | K529 V531 | E527-K529 PolarHBondContact O-N 2.98Å; E527-V531 WeakPolarHBondContact O-CG2 3.42Å |
| 528 | N | 32.3 | Very low | 43.4 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 67% | 0.668 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.3 | -14.1 | 178.6 | -100.5 | -10.7 | 0 | 0 | 0 | 115.1 | ||
| 529 | K | 34.3 | Very low | 41.6 | Very low | 171 Ų | 171 | 123.4 Ų | 123.4 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -89.2 | -19.7 | 173.9 | -81 | -178.8 | 178.9 | 169.7 | 0 | 113.8 | E527 | E527-K529 PolarHBondContact O-N 2.98Å |
| 530 | N | 33.6 | Very low | 39.9 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 63% | 0.631 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -90.2 | -13.5 | 176.2 | -79.4 | -14.1 | 0 | 0 | 0 | 113.8 | ||
| 531 | V | 35.5 | Very low | 38.2 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -84.3 | -22.5 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | E527 | E527-V531 WeakPolarHBondContact O-CG2 3.42Š|
| 532 | C | 36.4 | Very low | 37.2 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 6.3 | 174.9 | -88.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 533 | S | 38.9 | Very low | 36.6 | Very low | 85 Ų | 85 | 132.4 Ų | 132.4 | 59% | 0.594 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | 11.1 | 172.9 | 86.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 534 | V | 39.6 | Very low | 36.1 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | trans | -132.3 | 34.6 | 174.8 | -162.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 535 | M | 33.6 | Very low | 35.7 | Very low | 244 Ų | 244 | 135.6 Ų | 135.6 | 100% | 1.202 | 72% | 0.722 | S | S | * | * | trans | -135.7 | 0 | 160.4 | -113.6 | -178 | 170.9 | 0 | 0 | 107.8 |
Retrieved 535 of 535 residues in 1083.8 ms
(Link to these results)