| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.5 | Very low | 85.4 | Confident | 248 Ų | 248 | 95.2 Ų | 95.2 | 100% | 1.222 | 52% | 0.515 | S | S | * | . | 0 | 119.8 | 0 | -72.9 | 175 | -179.4 | 0 | 0 | 106.5 | |||||
| 2 | G | 66.8 | Low | 86.1 | Confident | 59 Ų | 59 | 92.5 Ų | 92.5 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 156.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 3 | Q | 85.9 | Confident | 86.7 | Confident | 144 Ų | 144 | 85.4 Ų | 85.4 | 67% | 0.673 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 130.3 | 173.7 | -176.1 | 174.1 | -6.5 | 0 | 0 | 109.8 | Y5 | Q3-Y5 VanDerWaalsContact O-CE2 3.29Å; Q3-Y5 WeakPolarHBondContact O-CE2 3.23Å |
| 4 | C | 90.7 | Very high | 87.3 | Confident | 53 Ų | 53 | 80.2 Ų | 80.2 | 36% | 0.358 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -100.4 | 138.3 | 175.7 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | Y6 L169 C170 | C4-Y6 HydrophobicContact CB-CD2 3.66Å; C4-Y6 HydrophobicContact CB-CE2 3.36Å; C4-Y6 PolarHBondContact O-N 3.01Å; C4-L169 WeakPolarHBondContact CA-O 3.48Å; C4-C170 HydrophobicContact CB-CB 4.07Å; C4-C170 WeakPolarHBondContact CB-SG 3.49Å; C4-C170 WeakPolarHBondContact SG-CB 2.83Å; C4-C170 CovalentContact SG-SG 2.04Å; C4-C170 PolarHBondContact SG-SG 3.26Å |
| 5 | Y | 92.7 | Very high | 87.7 | Confident | 56 Ų | 56 | 83.9 Ų | 83.9 | 22% | 0.22 | 45% | 0.447 | C | S | . | . | trans | -101.4 | 48.1 | -168.5 | -62.3 | -87.4 | 0 | 0 | 0 | 113.3 | Q3 N7 E8 F12 F13 L169 L172 | Q3-Y5 VanDerWaalsContact O-CE2 3.29Å; Q3-Y5 WeakPolarHBondContact O-CE2 3.23Å; Y5-N7 VanDerWaalsContact C-N 3.3Å; Y5-N7 PolarHBondContact O-N 2.96Å; Y5-E8 HydrophobicContact CD1-CG 3.91Å; Y5-E8 HydrophobicContact CG-CG 4.34Å; Y5-E8 PolarHBondContact O-N 3.33Å; Y5-F12 AromaticContact CD1-CE1 3.88Å; Y5-F12 HydrophobicContact CD1-CE1 3.88Å; Y5-F12 AromaticContact CD1-CZ 3.85Å; Y5-F12 HydrophobicContact CD1-CZ 3.85Å; Y5-F12 HydrophobicContact CE1-CE1 4.44Å; Y5-F12 HydrophobicContact CE1-CZ 4Å; Y5-F12 AromaticContact CG-CE1 3.99Å; Y5-F12 HydrophobicContact CG-CE1 3.99Å; Y5-F12 HydrophobicContact CG-CZ 4.37Å; Y5-F13 WeakPolarHBondContact O-CZ 3.4Å; Y5-L169 WeakPolarHBondContact CD2-O 3.4Å; Y5-L169 PolarHBondContact N-O 3.38Å; Y5-L172 HydrophobicContact CD2-CD1 3.89Å; Y5-L172 HydrophobicContact CD2-CD2 4.1Å; Y5-L172 HydrophobicContact CD2-CG 3.91Å; Y5-L172 HydrophobicContact CE1-CD1 4.3Å; Y5-L172 HydrophobicContact CE2-CD1 3.47Å; Y5-L172 VanDerWaalsContact CE2-CD1 3.47Å; Y5-L172 HydrophobicContact CE2-CD2 4.42Å; Y5-L172 HydrophobicContact CE2-CG 3.73Å; Y5-L172 HydrophobicContact CG-CD1 4.48Å | ||
| 6 | Y | 89.1 | Confident | 88 | Confident | 125 Ų | 125 | 83.4 Ų | 83.4 | 49% | 0.49 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -20.6 | -175.8 | -67.3 | -73.7 | 0 | 0 | 0 | 115.2 | C4 I98 L169 | C4-Y6 HydrophobicContact CB-CD2 3.66Å; C4-Y6 HydrophobicContact CB-CE2 3.36Å; C4-Y6 PolarHBondContact O-N 3.01Å; Y6-I98 VanDerWaalsContact O-CD1 3.26Å; Y6-I98 WeakPolarHBondContact O-CD1 3.34Å; Y6-L169 HydrophobicContact CD1-CD1 4.29Å; Y6-L169 HydrophobicContact CD1-CD2 4.3Å; Y6-L169 HydrophobicContact CE1-CB 4.41Å; Y6-L169 HydrophobicContact CE1-CD1 3.87Å |
| 7 | N | 92.1 | Very high | 88.2 | Confident | 165 Ų | 165 | 79.1 Ų | 79.1 | 88% | 0.882 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 0.2 | -179.4 | -67.7 | -17.4 | 0 | 0 | 0 | 112.8 | Y5 | Y5-N7 VanDerWaalsContact C-N 3.3Å; Y5-N7 PolarHBondContact O-N 2.96Å |
| 8 | E | 94.1 | Very high | 88.2 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -78.9 | 157.1 | -179.7 | -71.2 | -59.7 | 157.2 | 0 | 0 | 112.7 | Y5 F12 F13 | Y5-E8 HydrophobicContact CD1-CG 3.91Å; Y5-E8 HydrophobicContact CG-CG 4.34Å; Y5-E8 PolarHBondContact O-N 3.33Å; E8-F12 HydrophobicContact CB-CB 4.07Å; E8-F12 HydrophobicContact CB-CD1 3.71Å; E8-F12 HydrophobicContact CB-CE1 4.37Å; E8-F12 HydrophobicContact CB-CG 3.97Å; E8-F12 HydrophobicContact CG-CD1 3.79Å; E8-F12 HydrophobicContact CG-CD2 4.43Å; E8-F12 HydrophobicContact CG-CE1 4.01Å; E8-F12 HydrophobicContact CG-CG 4.02Å; E8-F12 HydrophobicContact CG-CZ 4.43Å; E8-F13 HydrophobicContact CB-CE2 3.95Å; E8-F13 HydrophobicContact CB-CZ 4.25Å |
| 9 | T | 94.1 | Very high | 88.3 | Confident | 88 Ų | 88 | 75.2 Ų | 75.2 | 54% | 0.54 | 42% | 0.416 | S | S | . | . | trans | -79.7 | 160.2 | 178 | 67 | 0 | 0 | 0 | 0 | 111.7 | G11 F12 F13 | T9-G11 PolarHBondContact O-N 3.39Å; T9-F12 VanDerWaalsContact O-CB 3.31Å; T9-F12 WeakPolarHBondContact O-CB 3.25Å; T9-F12 PolarHBondContact O-N 3.44Å; T9-F12 VanDerWaalsContact O-N 3.09Å; T9-F12 PolarHBondContact OG1-N 2.98Å; T9-F13 WeakPolarHBondContact O-CD2 3.46Å | ||
| 10 | I | 94.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.005 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.3 | -32.9 | 172.6 | -64.7 | -62.1 | 0 | 0 | 0 | 111.5 | F12 F13 Y14 T93 L96 I98 W101 L181 | I10-F12 VanDerWaalsContact C-N 3.27Å; I10-F12 PolarHBondContact O-N 3.1Å; I10-F13 PolarHBondContact O-N 3.48Å; I10-Y14 HydrophobicContact CG2-CD2 3.52Å; I10-Y14 HydrophobicContact CG2-CE2 3.4Å; I10-Y14 VanDerWaalsContact O-CD2 3.22Å; I10-Y14 WeakPolarHBondContact O-CD2 3.42Å; I10-Y14 PolarHBondContact O-N 3.42Å; I10-Y14 VanDerWaalsContact O-N 3.13Å; I10-T93 HydrophobicContact CG2-CG2 4.32Å; I10-L96 HydrophobicContact CG1-CB 4.19Å; I10-L96 WeakPolarHBondContact CG1-O 3.35Å; I10-I98 HydrophobicContact CD1-CG1 4.32Å; I10-W101 HydrophobicContact CD1-CB 3.69Å; I10-W101 HydrophobicContact CD1-CG 3.93Å; I10-L181 HydrophobicContact CD1-CD1 4.23Å; I10-L181 HydrophobicContact CD1-CD2 3.93Å |
| 11 | G | 92.6 | Very high | 88 | Confident | 28 Ų | 28 | 78.3 Ų | 78.3 | 29% | 0.289 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.7 | -37 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T9 Y14 N15 | T9-G11 PolarHBondContact O-N 3.39Å; G11-Y14 PolarHBondContact O-N 2.93Å; G11-N15 WeakPolarHBondContact O-CB 3.31Å; G11-N15 PolarHBondContact O-N 3.32Å |
| 12 | F | 94 | Very high | 89.7 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 28% | 0.276 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.1 | -52.2 | 177.3 | 172.7 | -97.2 | 0 | 0 | 0 | 111.8 | Y5 E8 T9 I10 Y14 N15 N16 L172 | Y5-F12 AromaticContact CD1-CE1 3.88Å; Y5-F12 HydrophobicContact CD1-CE1 3.88Å; Y5-F12 AromaticContact CD1-CZ 3.85Å; Y5-F12 HydrophobicContact CD1-CZ 3.85Å; Y5-F12 HydrophobicContact CE1-CE1 4.44Å; Y5-F12 HydrophobicContact CE1-CZ 4Å; Y5-F12 AromaticContact CG-CE1 3.99Å; Y5-F12 HydrophobicContact CG-CE1 3.99Å; Y5-F12 HydrophobicContact CG-CZ 4.37Å; E8-F12 HydrophobicContact CB-CB 4.07Å; E8-F12 HydrophobicContact CB-CD1 3.71Å; E8-F12 HydrophobicContact CB-CE1 4.37Å; E8-F12 HydrophobicContact CB-CG 3.97Å; E8-F12 HydrophobicContact CG-CD1 3.79Å; E8-F12 HydrophobicContact CG-CD2 4.43Å; E8-F12 HydrophobicContact CG-CE1 4.01Å; E8-F12 HydrophobicContact CG-CG 4.02Å; E8-F12 HydrophobicContact CG-CZ 4.43Å; T9-F12 VanDerWaalsContact O-CB 3.31Å; T9-F12 WeakPolarHBondContact O-CB 3.25Å; T9-F12 PolarHBondContact O-N 3.44Å; T9-F12 VanDerWaalsContact O-N 3.09Å; T9-F12 PolarHBondContact OG1-N 2.98Å; I10-F12 VanDerWaalsContact C-N 3.27Å; I10-F12 PolarHBondContact O-N 3.1Å; F12-Y14 PolarHBondContact O-N 3.2Å; F12-N15 PolarHBondContact O-N 3.31Å; F12-N16 WeakPolarHBondContact O-CB 3.17Å; F12-N16 PolarHBondContact O-N 2.95Å; F12-L172 HydrophobicContact CE1-CD1 3.86Å; F12-L172 HydrophobicContact CE1-CD2 4Å; F12-L172 HydrophobicContact CZ-CD1 3.73Å |
| 13 | F | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 179.6 | -64.2 | -78.4 | 0 | 0 | 0 | 112.5 | Y5 E8 T9 I10 N15 N16 S17 I98 L169 L172 P180 L181 | Y5-F13 WeakPolarHBondContact O-CZ 3.4Å; E8-F13 HydrophobicContact CB-CE2 3.95Å; E8-F13 HydrophobicContact CB-CZ 4.25Å; T9-F13 WeakPolarHBondContact O-CD2 3.46Å; I10-F13 PolarHBondContact O-N 3.48Å; F13-N15 VanDerWaalsContact C-N 3.34Å; F13-N15 PolarHBondContact O-N 3.3Å; F13-N16 PolarHBondContact O-N 3.46Å; F13-S17 WeakPolarHBondContact O-CB 3.16Å; F13-S17 PolarHBondContact O-N 2.91Å; F13-S17 PolarHBondContact O-OG 3.47Å; F13-I98 HydrophobicContact CE2-CD1 3.91Å; F13-I98 HydrophobicContact CE2-CG1 4.34Å; F13-I98 HydrophobicContact CZ-CD1 4.37Å; F13-L169 HydrophobicContact CE1-CD2 3.97Å; F13-L169 HydrophobicContact CE2-CD2 4.29Å; F13-L169 HydrophobicContact CZ-CD2 3.51Å; F13-L172 HydrophobicContact CD1-CD2 4.02Å; F13-L172 HydrophobicContact CE1-CD2 3.9Å; F13-P180 HydrophobicContact CB-CB 4.18Å; F13-L181 HydrophobicContact CB-CD1 3.67Å; F13-L181 HydrophobicContact CB-CG 4.42Å; F13-L181 HydrophobicContact CD2-CD1 4.14Å; F13-L181 HydrophobicContact CD2-CG 4.31Å; F13-L181 HydrophobicContact CG-CD1 3.9Å; F13-L181 HydrophobicContact CG-CG 4.15Å |
| 14 | Y | 94.1 | Very high | 90.7 | Very high | 13 Ų | 13 | 71.4 Ų | 71.4 | 5% | 0.051 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 178.1 | -88.7 | -111 | 0 | 0 | 0 | 111.9 | I10 G11 F12 S17 G18 K19 L21 T93 W101 R104 P180 | I10-Y14 HydrophobicContact CG2-CD2 3.52Å; I10-Y14 HydrophobicContact CG2-CE2 3.4Å; I10-Y14 VanDerWaalsContact O-CD2 3.22Å; I10-Y14 WeakPolarHBondContact O-CD2 3.42Å; I10-Y14 PolarHBondContact O-N 3.42Å; I10-Y14 VanDerWaalsContact O-N 3.13Å; G11-Y14 PolarHBondContact O-N 2.93Å; F12-Y14 PolarHBondContact O-N 3.2Å; Y14-S17 PolarHBondContact O-N 3.08Å; Y14-G18 PolarHBondContact O-N 2.96Å; Y14-K19 CarbonylContact C-O 3.52Å; Y14-K19 WeakPolarHBondContact CB-O 3.29Å; Y14-K19 HydrophobicContact CD1-CB 4.04Å; Y14-K19 HydrophobicContact CD1-CD 3.79Å; Y14-K19 HydrophobicContact CD1-CG 3.81Å; Y14-K19 HydrophobicContact CE1-CD 3.65Å; Y14-K19 HydrophobicContact CE1-CG 4.13Å; Y14-K19 CarbonylContact O-C 3.6Å; Y14-K19 PolarHBondContact O-N 3.16Å; Y14-L21 HydrophobicContact CD1-CB 4.41Å; Y14-L21 HydrophobicContact CD1-CD1 3.25Å; Y14-L21 HydrophobicContact CD1-CG 4.39Å; Y14-L21 HydrophobicContact CD2-CD1 4.5Å; Y14-L21 HydrophobicContact CE1-CD1 3.36Å; Y14-L21 HydrophobicContact CG-CD1 3.85Å; Y14-T93 HydrophobicContact CE1-CG2 4.38Å; Y14-T93 HydrophobicContact CE2-CG2 4.32Å; Y14-T93 WeakPolarHBondContact OH-CG2 3.44Å; Y14-W101 AromaticContact CE2-NE1 3.53Å; Y14-W101 AromaticContact CZ-NE1 3.76Å; Y14-W101 PolarHBondContact OH-NE1 2.96Å; Y14-W101 VanDerWaalsContact OH-NE1 3.07Å; Y14-R104 PolarHBondContact OH-NH2 3.37Å; Y14-P180 HydrophobicContact CD1-CG 4.13Å; Y14-P180 HydrophobicContact CD2-CB 4.01Å; Y14-P180 HydrophobicContact CD2-CG 3.86Å; Y14-P180 HydrophobicContact CE1-CG 4.24Å; Y14-P180 HydrophobicContact CE2-CB 4.3Å; Y14-P180 HydrophobicContact CE2-CG 3.96Å; Y14-P180 HydrophobicContact CG-CB 4.43Å; Y14-P180 HydrophobicContact CG-CG 3.97Å |
| 15 | N | 93.5 | Very high | 90.6 | Very high | 135 Ų | 135 | 74 Ų | 74 | 72% | 0.722 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66 | -45.8 | 176.4 | -167.9 | 42.4 | 0 | 0 | 0 | 111.8 | G11 F12 F13 S17 G18 | G11-N15 WeakPolarHBondContact O-CB 3.31Å; G11-N15 PolarHBondContact O-N 3.32Å; F12-N15 PolarHBondContact O-N 3.31Å; F13-N15 VanDerWaalsContact C-N 3.34Å; F13-N15 PolarHBondContact O-N 3.3Å; N15-S17 VanDerWaalsContact C-N 3.28Å; N15-S17 PolarHBondContact O-N 3.26Å; N15-G18 PolarHBondContact O-N 2.76Å |
| 16 | N | 92.6 | Very high | 90.4 | Very high | 76 Ų | 76 | 74.9 Ų | 74.9 | 41% | 0.406 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59 | -39.6 | 177.2 | -177 | 80.5 | 0 | 0 | 0 | 112.5 | F12 F13 G18 L172 | F12-N16 WeakPolarHBondContact O-CB 3.17Å; F12-N16 PolarHBondContact O-N 2.95Å; F13-N16 PolarHBondContact O-N 3.46Å; N16-G18 PolarHBondContact O-N 3.28Å; N16-L172 PolarHBondContact ND2-O 3.07Å |
| 17 | S | 91.4 | Very high | 90.4 | Very high | 10 Ų | 10 | 74.1 Ų | 74.1 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 1.7 | 177.1 | -75.1 | 0 | 0 | 0 | 0 | 114.3 | F13 Y14 N15 K19 S176 R177 | F13-S17 WeakPolarHBondContact O-CB 3.16Å; F13-S17 PolarHBondContact O-N 2.91Å; F13-S17 PolarHBondContact O-OG 3.47Å; Y14-S17 PolarHBondContact O-N 3.08Å; N15-S17 VanDerWaalsContact C-N 3.28Å; N15-S17 PolarHBondContact O-N 3.26Å; S17-K19 VanDerWaalsContact C-N 3.25Å; S17-K19 PolarHBondContact O-N 3.33Å; S17-S176 VanDerWaalsContact CB-O 3.31Å; S17-S176 WeakPolarHBondContact CB-O 3.49Å; S17-S176 PolarHBondContact OG-O 3.29Å; S17-R177 WeakPolarHBondContact O-CG 3.48Å |
| 18 | G | 88.7 | Confident | 90.1 | Very high | 57 Ų | 57 | 71.9 Ų | 71.9 | 59% | 0.588 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 24.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y14 N15 N16 | Y14-G18 PolarHBondContact O-N 2.96Å; N15-G18 PolarHBondContact O-N 2.76Å; N16-G18 PolarHBondContact O-N 3.28Å |
| 19 | K | 89.4 | Confident | 89.8 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 12% | 0.122 | 36% | 0.361 | C | S | . | . | trans | -103.6 | 101.3 | 178.1 | -171.7 | 172.9 | -170.6 | 169.2 | 0 | 109.9 | Y14 S17 L21 R177 M178 P180 L271 E274 | Y14-K19 CarbonylContact C-O 3.52Å; Y14-K19 WeakPolarHBondContact CB-O 3.29Å; Y14-K19 HydrophobicContact CD1-CB 4.04Å; Y14-K19 HydrophobicContact CD1-CD 3.79Å; Y14-K19 HydrophobicContact CD1-CG 3.81Å; Y14-K19 HydrophobicContact CE1-CD 3.65Å; Y14-K19 HydrophobicContact CE1-CG 4.13Å; Y14-K19 CarbonylContact O-C 3.6Å; Y14-K19 PolarHBondContact O-N 3.16Å; S17-K19 VanDerWaalsContact C-N 3.25Å; S17-K19 PolarHBondContact O-N 3.33Å; K19-L21 PolarHBondContact O-N 3.46Å; K19-R177 WeakPolarHBondContact CD-O 3.33Å; K19-M178 PolarHBondContact NZ-O 3.37Å; K19-P180 HydrophobicContact CB-CG 4.34Å; K19-P180 HydrophobicContact CD-CG 4Å; K19-L271 HydrophobicContact CD-CD2 4.06Å; K19-L271 HydrophobicContact CG-CD2 4.18Å; K19-E274 WeakPolarHBondContact CE-OE2 3.49Å; K19-E274 IonicContact NZ-OE1 2.81Å; K19-E274 PolarHBondContact NZ-OE1 3.3Å; K19-E274 IonicContact NZ-OE2 2.7Å; K19-E274 PolarHBondContact NZ-OE2 3.06Å | ||
| 20 | E | 84.1 | Confident | 89.6 | Confident | 170 Ų | 170 | 67.5 Ų | 67.5 | 79% | 0.794 | 36% | 0.356 | S | S | * | . | trans | -61.9 | 124.5 | -179.9 | -71.6 | -174 | 171.5 | 0 | 0 | 112.9 | ||||
| 21 | L | 86.8 | Confident | 89.5 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | trans | -100.6 | 107.2 | 175.4 | -152.6 | 84.2 | 0 | 0 | 0 | 109.7 | Y14 K19 L23 T93 A94 | Y14-L21 HydrophobicContact CD1-CB 4.41Å; Y14-L21 HydrophobicContact CD1-CD1 3.25Å; Y14-L21 HydrophobicContact CD1-CG 4.39Å; Y14-L21 HydrophobicContact CD2-CD1 4.5Å; Y14-L21 HydrophobicContact CE1-CD1 3.36Å; Y14-L21 HydrophobicContact CG-CD1 3.85Å; K19-L21 PolarHBondContact O-N 3.46Å; L21-L23 PolarHBondContact O-N 3.18Å; L21-T93 HydrophobicContact CD1-CG2 3.92Å; L21-A94 HydrophobicContact CD2-CB 3.4Å; L21-A94 VanDerWaalsContact CD2-CB 3.4Å | ||
| 22 | S | 83.2 | Confident | 89.4 | Confident | 24 Ų | 24 | 71.8 Ų | 71.8 | 17% | 0.168 | 38% | 0.377 | C | S | . | . | trans | -74.1 | 124.2 | -179.9 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | H24 D29 P91 | S22-H24 PolarHBondContact O-N 3.29Å; S22-H24 PolarHBondContact OG-O 2.93Å; S22-D29 PolarHBondContact OG-OD2 3.41Å; S22-P91 WeakPolarHBondContact O-CA 3.47Å | ||
| 23 | L | 83.6 | Confident | 89.3 | Confident | 131 Ų | 131 | 69.4 Ų | 69.4 | 69% | 0.686 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -74.1 | -12.6 | 174.5 | -65.8 | 171.2 | 0 | 0 | 0 | 113.2 | L21 | L21-L23 PolarHBondContact O-N 3.18Š|
| 24 | H | 88.4 | Confident | 89.3 | Confident | 151 Ų | 151 | 71.8 Ų | 71.8 | 70% | 0.699 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -120.3 | 154.3 | -179.8 | -52.2 | -34.7 | 0 | 0 | 0 | 111 | S22 R26 | S22-H24 PolarHBondContact O-N 3.29Å; S22-H24 PolarHBondContact OG-O 2.93Å; H24-R26 PolarHBondContact O-N 3Å |
| 25 | W | 89.3 | Confident | 89.3 | Confident | 107 Ų | 107 | 75.4 Ų | 75.4 | 41% | 0.405 | 41% | 0.407 | S | S | . | . | trans | -73.4 | 110.9 | 177.1 | -73.7 | 101.7 | 0 | 0 | 0 | 110.2 | D29 V30 V33 P91 R92 | W25-D29 HydrophobicContact CE3-CB 4.27Å; W25-V30 HydrophobicContact CB-CG2 3.95Å; W25-V30 HydrophobicContact CD2-CG2 4.41Å; W25-V30 HydrophobicContact CE3-CG2 3.96Å; W25-V30 HydrophobicContact CG-CG2 4.45Å; W25-V33 HydrophobicContact CH2-CG2 4.46Å; W25-V33 HydrophobicContact CZ3-CG2 4.06Å; W25-P91 HydrophobicContact CD2-CG 4.01Å; W25-P91 HydrophobicContact CG-CG 4.08Å; W25-R92 HydrophobicContact CZ2-CG 4.42Å | ||
| 26 | R | 88.4 | Confident | 89.3 | Confident | 74 Ų | 74 | 69 Ų | 69 | 28% | 0.279 | 37% | 0.373 | S | S | . | . | trans | -81.2 | 148.5 | 170.3 | -59.9 | 176 | -65.2 | -162.7 | -8.2 | 109.3 | H24 K28 D29 V30 | H24-R26 PolarHBondContact O-N 3Å; R26-K28 HydrophobicContact CB-CG 4.09Å; R26-K28 VanDerWaalsContact CZ-CE 3.43Å; R26-K28 PolarHBondContact O-N 2.87Å; R26-K28 VanDerWaalsContact O-N 3.16Å; R26-D29 WeakPolarHBondContact CB-OD2 3.33Å; R26-D29 IonicContact CZ-OD2 3.39Å; R26-D29 IonicContact NE-OD1 2.74Å; R26-D29 IonicContact NE-OD2 2.6Å; R26-D29 PolarHBondContact NE-OD2 2.99Å; R26-D29 IonicContact NH2-OD1 2.79Å; R26-D29 PolarHBondContact NH2-OD1 3.49Å; R26-D29 IonicContact NH2-OD2 3.95Å; R26-D29 PolarHBondContact NH2-OD2 3.41Å; R26-D29 WeakPolarHBondContact O-CA 3.49Å; R26-D29 WeakPolarHBondContact O-CB 2.98Å; R26-D29 PolarHBondContact O-N 3.39Å; R26-V30 PolarHBondContact O-N 3.08Å; R26-V30 VanDerWaalsContact O-N 3.11Å | ||
| 27 | P | 89.1 | Confident | 89.4 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 71% | 0.708 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -52.4 | -42.1 | 178.8 | -28.1 | 34.7 | 0 | 0 | 0 | 113.1 | D29 V30 V31 | P27-D29 VanDerWaalsContact C-N 3.3Å; P27-D29 PolarHBondContact O-N 3.24Å; P27-V30 PolarHBondContact O-N 2.95Å; P27-V31 WeakPolarHBondContact O-CG2 3.43Å; P27-V31 PolarHBondContact O-N 3.3Å |
| 28 | K | 85.6 | Confident | 89.6 | Confident | 119 Ų | 119 | 71 Ų | 71 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -35.6 | 175.2 | 66.5 | -178.1 | 179.9 | -177.7 | 0 | 113.8 | R26 V32 | R26-K28 HydrophobicContact CB-CG 4.09Å; R26-K28 VanDerWaalsContact CZ-CE 3.43Å; R26-K28 PolarHBondContact O-N 2.87Å; R26-K28 VanDerWaalsContact O-N 3.16Å; K28-V32 WeakPolarHBondContact O-CB 3.3Å; K28-V32 VanDerWaalsContact O-CG2 3.24Å; K28-V32 WeakPolarHBondContact O-CG2 3.24Å; K28-V32 PolarHBondContact O-N 2.95Å; K28-V32 VanDerWaalsContact O-N 3.11Å |
| 29 | D | 87.2 | Confident | 89.8 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.9 | -38.3 | -179.8 | -62.5 | -31.9 | 0 | 0 | 0 | 110.5 | S22 W25 R26 P27 V33 K275 | S22-D29 PolarHBondContact OG-OD2 3.41Å; W25-D29 HydrophobicContact CE3-CB 4.27Å; R26-D29 WeakPolarHBondContact CB-OD2 3.33Å; R26-D29 IonicContact CZ-OD2 3.39Å; R26-D29 IonicContact NE-OD1 2.74Å; R26-D29 IonicContact NE-OD2 2.6Å; R26-D29 PolarHBondContact NE-OD2 2.99Å; R26-D29 IonicContact NH2-OD1 2.79Å; R26-D29 PolarHBondContact NH2-OD1 3.49Å; R26-D29 IonicContact NH2-OD2 3.95Å; R26-D29 PolarHBondContact NH2-OD2 3.41Å; R26-D29 WeakPolarHBondContact O-CA 3.49Å; R26-D29 WeakPolarHBondContact O-CB 2.98Å; R26-D29 PolarHBondContact O-N 3.39Å; P27-D29 VanDerWaalsContact C-N 3.3Å; P27-D29 PolarHBondContact O-N 3.24Å; D29-V33 WeakPolarHBondContact O-CB 3.43Å; D29-V33 VanDerWaalsContact O-CG2 3.3Å; D29-V33 WeakPolarHBondContact O-CG2 3.35Å; D29-V33 PolarHBondContact O-N 2.94Å; D29-K275 IonicContact OD1-NZ 3.64Å; D29-K275 PolarHBondContact OD1-NZ 3.21Å |
| 30 | V | 91.1 | Very high | 90.1 | Very high | 72 Ų | 72 | 68 Ų | 68 | 44% | 0.436 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | W25 R26 P27 V32 V33 A34 | W25-V30 HydrophobicContact CB-CG2 3.95Å; W25-V30 HydrophobicContact CD2-CG2 4.41Å; W25-V30 HydrophobicContact CE3-CG2 3.96Å; W25-V30 HydrophobicContact CG-CG2 4.45Å; R26-V30 PolarHBondContact O-N 3.08Å; R26-V30 VanDerWaalsContact O-N 3.11Å; P27-V30 PolarHBondContact O-N 2.95Å; V30-V32 PolarHBondContact O-N 3.49Å; V30-V33 PolarHBondContact O-N 3.44Å; V30-A34 VanDerWaalsContact O-CB 3.3Å; V30-A34 WeakPolarHBondContact O-CB 3.37Å; V30-A34 PolarHBondContact O-N 2.94Å |
| 31 | V | 92.1 | Very high | 90.6 | Very high | 97 Ų | 97 | 63.2 Ų | 63.2 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.5 | -46.1 | 178.9 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | P27 A34 L35 | P27-V31 WeakPolarHBondContact O-CG2 3.43Å; P27-V31 PolarHBondContact O-N 3.3Å; V31-A34 PolarHBondContact O-N 3.25Å; V31-L35 VanDerWaalsContact O-CB 3.29Å; V31-L35 WeakPolarHBondContact O-CB 3.3Å; V31-L35 PolarHBondContact O-N 3.3Å |
| 32 | V | 90.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 65 Ų | 65 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 178.9 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | K28 V30 G36 K275 L279 | K28-V32 WeakPolarHBondContact O-CB 3.3Å; K28-V32 VanDerWaalsContact O-CG2 3.24Å; K28-V32 WeakPolarHBondContact O-CG2 3.24Å; K28-V32 PolarHBondContact O-N 2.95Å; K28-V32 VanDerWaalsContact O-N 3.11Å; V30-V32 PolarHBondContact O-N 3.49Å; V32-G36 PolarHBondContact O-N 3.49Å; V32-K275 HydrophobicContact CG1-CB 4.39Å; V32-K275 HydrophobicContact CG2-CB 4.33Å; V32-K275 HydrophobicContact CG2-CD 4.28Å; V32-L279 HydrophobicContact CG1-CD1 4.27Å; V32-L279 HydrophobicContact CG2-CD1 4.36Å |
| 33 | V | 92.1 | Very high | 91.5 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 178.2 | 170 | 0 | 0 | 0 | 0 | 111.2 | W25 D29 V30 G36 L37 T89 | W25-V33 HydrophobicContact CH2-CG2 4.46Å; W25-V33 HydrophobicContact CZ3-CG2 4.06Å; D29-V33 WeakPolarHBondContact O-CB 3.43Å; D29-V33 VanDerWaalsContact O-CG2 3.3Å; D29-V33 WeakPolarHBondContact O-CG2 3.35Å; D29-V33 PolarHBondContact O-N 2.94Å; V30-V33 PolarHBondContact O-N 3.44Å; V33-G36 PolarHBondContact O-N 3.5Å; V33-L37 HydrophobicContact CG1-CD1 3.83Å; V33-L37 HydrophobicContact CG1-CG 4.19Å; V33-L37 WeakPolarHBondContact O-CB 3.36Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 3.08Å; V33-T89 HydrophobicContact CG2-CG2 3.77Å |
| 34 | A | 93.7 | Very high | 92 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V30 V31 T38 | V30-A34 VanDerWaalsContact O-CB 3.3Å; V30-A34 WeakPolarHBondContact O-CB 3.37Å; V30-A34 PolarHBondContact O-N 2.94Å; V31-A34 PolarHBondContact O-N 3.25Å; A34-T38 PolarHBondContact O-N 3.19Å; A34-T38 VanDerWaalsContact O-N 3.1Å; A34-T38 PolarHBondContact O-OG1 3.3Å |
| 35 | L | 94.1 | Very high | 92.2 | Very high | 89 Ų | 89 | 57.2 Ų | 57.2 | 47% | 0.466 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65 | -48.1 | 176.8 | -176.5 | 62.8 | 0 | 0 | 0 | 111.2 | V31 L37 T38 V39 L279 | V31-L35 VanDerWaalsContact O-CB 3.29Å; V31-L35 WeakPolarHBondContact O-CB 3.3Å; V31-L35 PolarHBondContact O-N 3.3Å; L35-L37 PolarHBondContact O-N 3.41Å; L35-T38 WeakPolarHBondContact O-CB 3.4Å; L35-T38 PolarHBondContact O-N 2.88Å; L35-T38 VanDerWaalsContact O-N 3.16Å; L35-V39 HydrophobicContact CD1-CG2 4.47Å; L35-V39 WeakPolarHBondContact O-CG2 3.39Å; L35-V39 PolarHBondContact O-N 3.27Å; L35-L279 HydrophobicContact CD2-CD1 3.98Å; L35-L279 HydrophobicContact CD2-CD2 4.33Å; L35-L279 HydrophobicContact CG-CD2 4.29Å |
| 36 | G | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V32 V33 T38 V39 S40 | V32-G36 PolarHBondContact O-N 3.49Å; V33-G36 PolarHBondContact O-N 3.5Å; G36-T38 VanDerWaalsContact C-N 3.27Å; G36-T38 PolarHBondContact O-N 3.4Å; G36-V39 PolarHBondContact O-N 3.26Å; G36-S40 WeakPolarHBondContact O-CB 3.5Å; G36-S40 PolarHBondContact O-N 2.9Å; G36-S40 PolarHBondContact O-OG 3.1Å |
| 37 | L | 95.2 | Very high | 92.5 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 175.1 | -72.5 | 174.8 | 0 | 0 | 0 | 112.2 | V33 L35 V41 L83 M86 F87 | V33-L37 HydrophobicContact CG1-CD1 3.83Å; V33-L37 HydrophobicContact CG1-CG 4.19Å; V33-L37 WeakPolarHBondContact O-CB 3.36Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 3.08Å; L35-L37 PolarHBondContact O-N 3.41Å; L37-V41 WeakPolarHBondContact O-CG2 3.41Å; L37-V41 PolarHBondContact O-N 3.44Å; L37-L83 HydrophobicContact CD2-CD1 3.65Å; L37-M86 HydrophobicContact CD2-CB 3.65Å; L37-M86 HydrophobicContact CG-CB 3.96Å; L37-F87 HydrophobicContact CD2-CD2 4.35Å; L37-F87 HydrophobicContact CD2-CE2 4.13Å; L37-F87 HydrophobicContact CD2-CZ 4.24Å |
| 38 | T | 94.6 | Very high | 92.7 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 177.7 | -54.9 | 0 | 0 | 0 | 0 | 111 | A34 L35 G36 V41 L42 | A34-T38 PolarHBondContact O-N 3.19Å; A34-T38 VanDerWaalsContact O-N 3.1Å; A34-T38 PolarHBondContact O-OG1 3.3Å; L35-T38 WeakPolarHBondContact O-CB 3.4Å; L35-T38 PolarHBondContact O-N 2.88Å; L35-T38 VanDerWaalsContact O-N 3.16Å; G36-T38 VanDerWaalsContact C-N 3.27Å; G36-T38 PolarHBondContact O-N 3.4Å; T38-V41 PolarHBondContact O-N 3.4Å; T38-L42 HydrophobicContact CG2-CD1 4.42Å; T38-L42 WeakPolarHBondContact O-CG 3.25Å; T38-L42 PolarHBondContact O-N 2.98Å; T38-L42 VanDerWaalsContact O-N 3.11Å |
| 39 | V | 94.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 13% | 0.127 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -47.1 | 177.8 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | L35 G36 V41 L42 V43 E282 L286 | L35-V39 HydrophobicContact CD1-CG2 4.47Å; L35-V39 WeakPolarHBondContact O-CG2 3.39Å; L35-V39 PolarHBondContact O-N 3.27Å; G36-V39 PolarHBondContact O-N 3.26Å; V39-V41 VanDerWaalsContact C-N 3.34Å; V39-V41 PolarHBondContact O-N 2.84Å; V39-L42 CarbonylContact O-C 3.6Å; V39-L42 WeakPolarHBondContact O-CB 3.49Å; V39-L42 PolarHBondContact O-N 3.45Å; V39-L42 VanDerWaalsContact O-N 3.09Å; V39-V43 HydrophobicContact CG1-CG2 4.2Å; V39-V43 WeakPolarHBondContact O-CG2 3.27Å; V39-V43 PolarHBondContact O-N 3.42Å; V39-E282 HydrophobicContact CB-CG 4.44Å; V39-E282 HydrophobicContact CG1-CB 4.41Å; V39-E282 HydrophobicContact CG1-CG 3.68Å; V39-L286 HydrophobicContact CG1-CD1 4.03Å |
| 40 | S | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.4 | -46.4 | 176.9 | -73 | 0 | 0 | 0 | 0 | 112.3 | G36 L42 V43 L44 Y82 L83 E282 | G36-S40 WeakPolarHBondContact O-CB 3.5Å; G36-S40 PolarHBondContact O-N 2.9Å; G36-S40 PolarHBondContact O-OG 3.1Å; S40-L42 PolarHBondContact O-N 3.48Å; S40-V43 PolarHBondContact O-N 3.23Å; S40-L44 VanDerWaalsContact O-CG 3.3Å; S40-L44 WeakPolarHBondContact O-CG 3.43Å; S40-L44 PolarHBondContact O-N 2.93Å; S40-Y82 WeakPolarHBondContact OG-CB 3.3Å; S40-L83 PolarHBondContact OG-N 3.44Å; S40-E282 WeakPolarHBondContact CA-OE1 3.36Å; S40-E282 WeakPolarHBondContact CB-OE1 3.49Å; S40-E282 PolarHBondContact N-OE1 2.99Å; S40-E282 PolarHBondContact OG-OE1 3.01Å |
| 41 | V | 94.8 | Very high | 93 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L37 T38 V39 V43 L44 L45 | L37-V41 WeakPolarHBondContact O-CG2 3.41Å; L37-V41 PolarHBondContact O-N 3.44Å; T38-V41 PolarHBondContact O-N 3.4Å; V39-V41 VanDerWaalsContact C-N 3.34Å; V39-V41 PolarHBondContact O-N 2.84Å; V41-V43 PolarHBondContact O-N 3.48Å; V41-L44 PolarHBondContact O-N 3.49Å; V41-L45 HydrophobicContact CG1-CD1 3.91Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 VanDerWaalsContact O-CG 3.31Å; V41-L45 WeakPolarHBondContact O-CG 3.39Å; V41-L45 PolarHBondContact O-N 3.34Å |
| 42 | L | 94.1 | Very high | 92.9 | Very high | 82 Ų | 82 | 42.7 Ų | 42.7 | 43% | 0.429 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.6 | -42 | 176 | -68.5 | 173.1 | 0 | 0 | 0 | 111.7 | T38 V39 S40 L44 L45 T46 L286 | T38-L42 HydrophobicContact CG2-CD1 4.42Å; T38-L42 WeakPolarHBondContact O-CG 3.25Å; T38-L42 PolarHBondContact O-N 2.98Å; T38-L42 VanDerWaalsContact O-N 3.11Å; V39-L42 CarbonylContact O-C 3.6Å; V39-L42 WeakPolarHBondContact O-CB 3.49Å; V39-L42 PolarHBondContact O-N 3.45Å; V39-L42 VanDerWaalsContact O-N 3.09Å; S40-L42 PolarHBondContact O-N 3.48Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 3.45Å; L42-L45 PolarHBondContact O-N 3.46Å; L42-T46 VanDerWaalsContact O-CB 3.31Å; L42-T46 WeakPolarHBondContact O-CB 3.25Å; L42-T46 VanDerWaalsContact O-CG2 3.23Å; L42-T46 WeakPolarHBondContact O-CG2 3.24Å; L42-T46 PolarHBondContact O-N 2.96Å; L42-T46 PolarHBondContact O-OG1 3.39Å; L42-L286 HydrophobicContact CB-CD2 3.82Å |
| 43 | V | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 110.1 | V39 S40 V41 T46 N47 D75 L286 | V39-V43 HydrophobicContact CG1-CG2 4.2Å; V39-V43 WeakPolarHBondContact O-CG2 3.27Å; V39-V43 PolarHBondContact O-N 3.42Å; S40-V43 PolarHBondContact O-N 3.23Å; V41-V43 PolarHBondContact O-N 3.48Å; V43-T46 PolarHBondContact O-OG1 2.92Å; V43-N47 WeakPolarHBondContact O-CB 3.49Å; V43-N47 PolarHBondContact O-N 3.25Å; V43-N47 PolarHBondContact O-ND2 3.47Å; V43-D75 WeakPolarHBondContact CG1-O 3.3Å; V43-L286 HydrophobicContact CB-CD2 4.23Å; V43-L286 HydrophobicContact CG2-CD2 3.53Å; V43-L286 HydrophobicContact CG2-CG 3.66Å |
| 44 | L | 94.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 19% | 0.188 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -50.2 | 179.2 | -70.1 | 173.2 | 0 | 0 | 0 | 111.9 | S40 V41 L42 L48 L76 M80 L83 | S40-L44 VanDerWaalsContact O-CG 3.3Å; S40-L44 WeakPolarHBondContact O-CG 3.43Å; S40-L44 PolarHBondContact O-N 2.93Å; V41-L44 PolarHBondContact O-N 3.49Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 3.45Å; L44-L48 WeakPolarHBondContact O-CB 3.28Å; L44-L48 PolarHBondContact O-N 3.06Å; L44-L76 HydrophobicContact CB-CD1 4.42Å; L44-L76 HydrophobicContact CD2-CD1 3.71Å; L44-L76 HydrophobicContact CD2-CG 4.21Å; L44-L76 WeakPolarHBondContact CD2-O 3.47Å; L44-L76 WeakPolarHBondContact O-CD1 3.32Å; L44-M80 HydrophobicContact CD2-CG 3.76Å; L44-L83 HydrophobicContact CD1-CD2 4.14Å |
| 45 | L | 93.1 | Very high | 92 | Very high | 107 Ų | 107 | 42.8 Ų | 42.8 | 56% | 0.56 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.1 | -45.4 | -178.4 | -68.9 | 174.5 | 0 | 0 | 0 | 112.3 | V41 L42 L49 | V41-L45 HydrophobicContact CG1-CD1 3.91Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 VanDerWaalsContact O-CG 3.31Å; V41-L45 WeakPolarHBondContact O-CG 3.39Å; V41-L45 PolarHBondContact O-N 3.34Å; L42-L45 PolarHBondContact O-N 3.46Å; L45-L49 WeakPolarHBondContact O-CB 3.37Å; L45-L49 PolarHBondContact O-N 3.48Å |
| 46 | T | 91.5 | Very high | 91.5 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 27% | 0.27 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.8 | -42.5 | -175.9 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | L42 V43 L49 V50 A289 | L42-T46 VanDerWaalsContact O-CB 3.31Å; L42-T46 WeakPolarHBondContact O-CB 3.25Å; L42-T46 VanDerWaalsContact O-CG2 3.23Å; L42-T46 WeakPolarHBondContact O-CG2 3.24Å; L42-T46 PolarHBondContact O-N 2.96Å; L42-T46 PolarHBondContact O-OG1 3.39Å; V43-T46 PolarHBondContact O-OG1 2.92Å; T46-L49 WeakPolarHBondContact O-CB 3.43Å; T46-L49 PolarHBondContact O-N 3.48Å; T46-V50 WeakPolarHBondContact O-CG2 3.38Å; T46-V50 PolarHBondContact O-N 3.28Å; T46-V50 VanDerWaalsContact O-N 3.09Å; T46-A289 HydrophobicContact CG2-CB 4.5Å |
| 47 | N | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.8 | -32.6 | 177.9 | -74 | -72 | 0 | 0 | 0 | 112.4 | V43 L49 V50 I51 D75 L76 S285 | V43-N47 WeakPolarHBondContact O-CB 3.49Å; V43-N47 PolarHBondContact O-N 3.25Å; V43-N47 PolarHBondContact O-ND2 3.47Å; N47-L49 VanDerWaalsContact C-N 3.32Å; N47-L49 PolarHBondContact O-N 2.84Å; N47-V50 WeakPolarHBondContact O-CB 3.41Å; N47-V50 PolarHBondContact O-N 2.72Å; N47-I51 WeakPolarHBondContact O-CG1 3.45Å; N47-I51 PolarHBondContact O-N 2.96Å; N47-D75 HydrophobicContact CB-CB 4.47Å; N47-L76 HydrophobicContact CB-CB 4.39Å; N47-S285 PolarHBondContact ND2-O 2.89Å; N47-S285 VanDerWaalsContact ND2-O 3.08Å |
| 48 | L | 92.8 | Very high | 89.9 | Confident | 99 Ų | 99 | 51.6 Ų | 51.6 | 52% | 0.518 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 170.3 | -176.5 | 63.9 | 0 | 0 | 0 | 111.5 | L44 V50 I51 A52 L76 | L44-L48 WeakPolarHBondContact O-CB 3.28Å; L44-L48 PolarHBondContact O-N 3.06Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.47Å; L48-I51 PolarHBondContact O-N 3.25Å; L48-A52 WeakPolarHBondContact O-CB 3.44Å; L48-A52 PolarHBondContact O-N 2.7Å; L48-L76 HydrophobicContact CB-CD1 4.3Å |
| 49 | L | 90.3 | Very high | 88.9 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 175.8 | -177.3 | 65.3 | 0 | 0 | 0 | 112 | L45 T46 N47 A52 A53 F303 L306 | L45-L49 WeakPolarHBondContact O-CB 3.37Å; L45-L49 PolarHBondContact O-N 3.48Å; T46-L49 WeakPolarHBondContact O-CB 3.43Å; T46-L49 PolarHBondContact O-N 3.48Å; N47-L49 VanDerWaalsContact C-N 3.32Å; N47-L49 PolarHBondContact O-N 2.84Å; L49-A52 PolarHBondContact O-N 2.81Å; L49-A53 WeakPolarHBondContact O-CB 3.28Å; L49-A53 PolarHBondContact O-N 3.25Å; L49-F303 HydrophobicContact CD1-CD1 4.13Å; L49-F303 HydrophobicContact CD2-CB 4.35Å; L49-F303 HydrophobicContact CD2-CD1 3.88Å; L49-F303 HydrophobicContact CD2-CE1 4.24Å; L49-F303 HydrophobicContact CD2-CG 4.03Å; L49-F303 HydrophobicContact CG-CD1 3.62Å; L49-F303 HydrophobicContact CG-CE1 3.79Å; L49-F303 HydrophobicContact CG-CG 4.29Å; L49-L306 HydrophobicContact CD1-CB 4.23Å; L49-L306 HydrophobicContact CD1-CD1 4.05Å |
| 50 | V | 89.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -50.7 | 173.8 | 167.2 | 0 | 0 | 0 | 0 | 111 | T46 N47 L48 A52 A53 I54 A72 A289 Y292 M299 F303 | T46-V50 WeakPolarHBondContact O-CG2 3.38Å; T46-V50 PolarHBondContact O-N 3.28Å; T46-V50 VanDerWaalsContact O-N 3.09Å; N47-V50 WeakPolarHBondContact O-CB 3.41Å; N47-V50 PolarHBondContact O-N 2.72Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.47Å; V50-A52 PolarHBondContact O-N 2.93Å; V50-A53 PolarHBondContact O-N 2.89Å; V50-I54 HydrophobicContact CG1-CD1 4Å; V50-I54 WeakPolarHBondContact O-CG1 3.36Å; V50-I54 PolarHBondContact O-N 2.9Å; V50-A72 HydrophobicContact CB-CB 4.15Å; V50-A72 HydrophobicContact CG1-CB 3.57Å; V50-A289 HydrophobicContact CG2-CB 4.27Å; V50-Y292 HydrophobicContact CG1-CD2 4.15Å; V50-Y292 HydrophobicContact CG1-CE2 4.26Å; V50-Y292 HydrophobicContact CG2-CD2 3.97Å; V50-M299 HydrophobicContact CB-CE 4.2Å; V50-M299 HydrophobicContact CG1-CE 3.68Å; V50-M299 HydrophobicContact CG2-CE 4.16Å; V50-F303 HydrophobicContact CG2-CE1 4.48Å; V50-F303 HydrophobicContact CG2-CZ 3.9Å |
| 51 | I | 90.6 | Very high | 87 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 28% | 0.277 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 179 | -66.2 | 166.9 | 0 | 0 | 0 | 110.5 | N47 L48 A53 I54 A55 A72 A73 L76 | N47-I51 WeakPolarHBondContact O-CG1 3.45Å; N47-I51 PolarHBondContact O-N 2.96Å; L48-I51 PolarHBondContact O-N 3.25Å; I51-A53 VanDerWaalsContact C-N 3.32Å; I51-A53 PolarHBondContact O-N 3.29Å; I51-I54 PolarHBondContact O-N 3.06Å; I51-A55 WeakPolarHBondContact O-CB 3.16Å; I51-A55 PolarHBondContact O-N 3.34Å; I51-A72 HydrophobicContact CD1-CB 4.4Å; I51-A72 HydrophobicContact CG1-CB 3.89Å; I51-A73 HydrophobicContact CD1-CB 4.33Å; I51-L76 HydrophobicContact CD1-CD2 4.18Å |
| 52 | A | 88.5 | Confident | 85.8 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 31% | 0.306 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L48 L49 V50 A55 S56 L306 | L48-A52 WeakPolarHBondContact O-CB 3.44Å; L48-A52 PolarHBondContact O-N 2.7Å; L49-A52 PolarHBondContact O-N 2.81Å; V50-A52 PolarHBondContact O-N 2.93Å; A52-A55 PolarHBondContact O-N 2.8Å; A52-S56 VanDerWaalsContact O-CB 3.27Å; A52-S56 WeakPolarHBondContact O-CB 3.41Å; A52-S56 PolarHBondContact O-N 2.94Å; A52-S56 PolarHBondContact O-OG 3.3Å; A52-L306 HydrophobicContact CB-CD1 4.27Å |
| 53 | A | 86.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L49 V50 I51 S56 N57 T302 F303 L306 | L49-A53 WeakPolarHBondContact O-CB 3.28Å; L49-A53 PolarHBondContact O-N 3.25Å; V50-A53 PolarHBondContact O-N 2.89Å; I51-A53 VanDerWaalsContact C-N 3.32Å; I51-A53 PolarHBondContact O-N 3.29Å; A53-S56 PolarHBondContact O-N 2.97Å; A53-N57 PolarHBondContact O-N 3.42Å; A53-T302 HydrophobicContact CB-CG2 3.79Å; A53-F303 HydrophobicContact CB-CD1 3.79Å; A53-F303 HydrophobicContact CB-CE1 3.52Å; A53-L306 HydrophobicContact CB-CD1 4.02Å |
| 54 | I | 86.1 | Confident | 83.7 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.1 | -65.5 | 167.4 | 0 | 0 | 0 | 110.3 | V50 I51 S56 F60 M299 | V50-I54 HydrophobicContact CG1-CD1 4Å; V50-I54 WeakPolarHBondContact O-CG1 3.36Å; V50-I54 PolarHBondContact O-N 2.9Å; I51-I54 PolarHBondContact O-N 3.06Å; I54-S56 PolarHBondContact O-N 3.39Å; I54-F60 HydrophobicContact CG2-CB 4.31Å; I54-M299 HydrophobicContact CG1-CE 4.35Å |
| 55 | A | 85.5 | Confident | 83 | Confident | 72 Ų | 72 | 57.4 Ų | 57.4 | 60% | 0.595 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.1 | -34.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I51 A52 | I51-A55 WeakPolarHBondContact O-CB 3.16Å; I51-A55 PolarHBondContact O-N 3.34Å; A52-A55 PolarHBondContact O-N 2.8Å |
| 56 | S | 82.7 | Confident | 82.5 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 54% | 0.538 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -80.4 | -24.8 | -174.9 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | A52 A53 I54 | A52-S56 VanDerWaalsContact O-CB 3.27Å; A52-S56 WeakPolarHBondContact O-CB 3.41Å; A52-S56 PolarHBondContact O-N 2.94Å; A52-S56 PolarHBondContact O-OG 3.3Å; A53-S56 PolarHBondContact O-N 2.97Å; I54-S56 PolarHBondContact O-N 3.39Å |
| 57 | N | 79.6 | Confident | 82.1 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | trans | -114 | 109.1 | -171.7 | -171.9 | -13.5 | 0 | 0 | 0 | 111.6 | A53 R59 F60 T302 | A53-N57 PolarHBondContact O-N 3.42Å; N57-R59 PolarHBondContact O-N 3.32Å; N57-R59 VanDerWaalsContact OD1-CB 3.31Å; N57-R59 WeakPolarHBondContact OD1-CB 3.04Å; N57-R59 PolarHBondContact OD1-N 3.43Å; N57-F60 HydrophobicContact CB-CD2 3.58Å; N57-F60 HydrophobicContact CB-CE2 3.72Å; N57-F60 HydrophobicContact CB-CG 4.44Å; N57-F60 PolarHBondContact O-N 2.97Å; N57-T302 HydrophobicContact CB-CG2 4.32Å; N57-T302 PolarHBondContact ND2-OG1 2.98Å | ||
| 58 | R | 77.2 | Confident | 81.6 | Confident | 218 Ų | 218 | 56.1 Ų | 56.1 | 82% | 0.823 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -56 | -22.9 | 179.4 | -69.2 | -175 | 175.6 | 179.5 | -0.9 | 114 | F60 H61 | R58-F60 PolarHBondContact O-N 2.91Å; R58-H61 WeakPolarHBondContact O-CB 3.33Å; R58-H61 PolarHBondContact O-N 2.92Å |
| 59 | R | 72.9 | Confident | 81.4 | Confident | 173 Ų | 173 | 52.1 Ų | 52.1 | 65% | 0.653 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -65 | -22.1 | 175.9 | -66.8 | -178.3 | 170.5 | -179.9 | -6.8 | 112.9 | N57 H61 E298 | N57-R59 PolarHBondContact O-N 3.32Å; N57-R59 VanDerWaalsContact OD1-CB 3.31Å; N57-R59 WeakPolarHBondContact OD1-CB 3.04Å; N57-R59 PolarHBondContact OD1-N 3.43Å; R59-H61 VanDerWaalsContact C-N 3.34Å; R59-E298 WeakPolarHBondContact CD-OE1 3.2Å; R59-E298 IonicContact CZ-OE1 3.78Å; R59-E298 IonicContact NH1-OE1 3.15Å; R59-E298 PolarHBondContact NH1-OE1 3.15Å; R59-E298 IonicContact NH1-OE2 3.93Å |
| 60 | F | 72.7 | Confident | 81.4 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 2% | 0.022 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -89.2 | 7.8 | 177.1 | -55.6 | -41.2 | 0 | 0 | 0 | 113.1 | I54 N57 R58 Q62 Y65 E298 M299 T302 | I54-F60 HydrophobicContact CG2-CB 4.31Å; N57-F60 HydrophobicContact CB-CD2 3.58Å; N57-F60 HydrophobicContact CB-CE2 3.72Å; N57-F60 HydrophobicContact CB-CG 4.44Å; N57-F60 PolarHBondContact O-N 2.97Å; R58-F60 PolarHBondContact O-N 2.91Å; F60-Q62 PolarHBondContact O-N 3.5Å; F60-Y65 HydrophobicContact CB-CD1 4.15Å; F60-Y65 HydrophobicContact CB-CD2 4.18Å; F60-Y65 HydrophobicContact CB-CG 3.91Å; F60-Y65 AromaticContact CD1-CD1 3.89Å; F60-Y65 HydrophobicContact CD1-CD1 3.89Å; F60-Y65 HydrophobicContact CD1-CD2 4.35Å; F60-Y65 AromaticContact CD1-CE1 3.56Å; F60-Y65 HydrophobicContact CD1-CE1 3.56Å; F60-Y65 HydrophobicContact CD1-CE2 4.07Å; F60-Y65 HydrophobicContact CD1-CG 4.29Å; F60-Y65 AromaticContact CD1-CZ 3.66Å; F60-Y65 HydrophobicContact CE1-CE1 4.05Å; F60-Y65 HydrophobicContact CG-CD1 4.25Å; F60-Y65 HydrophobicContact CG-CE1 4.36Å; F60-Y65 HydrophobicContact CG-CG 4.47Å; F60-Y65 WeakPolarHBondContact O-CB 3.28Å; F60-Y65 WeakPolarHBondContact O-CD2 3.3Å; F60-E298 HydrophobicContact CE1-CB 4.35Å; F60-E298 HydrophobicContact CE1-CG 4.06Å; F60-E298 HydrophobicContact CZ-CB 4.23Å; F60-E298 HydrophobicContact CZ-CG 3.86Å; F60-M299 HydrophobicContact CZ-CB 4.41Å; F60-T302 HydrophobicContact CE2-CG2 4.5Å |
| 61 | H | 76.3 | Confident | 81.4 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | trans | -82 | 45.1 | 176.1 | -64.9 | 169.1 | 0 | 0 | 0 | 113.5 | R58 R59 | R58-H61 WeakPolarHBondContact O-CB 3.33Å; R58-H61 PolarHBondContact O-N 2.92Å; R59-H61 VanDerWaalsContact C-N 3.34Å | ||
| 62 | Q | 70.5 | Confident | 81.5 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -107.6 | 153.3 | 170.8 | -56.1 | -168 | -20.8 | 0 | 0 | 110.9 | F60 I64 Y65 Y66 H136 | F60-Q62 PolarHBondContact O-N 3.5Å; Q62-I64 HydrophobicContact CB-CG2 4.34Å; Q62-I64 PolarHBondContact O-N 3.36Å; Q62-I64 VanDerWaalsContact O-N 3.08Å; Q62-Y65 HydrophobicContact CB-CD2 3.93Å; Q62-Y65 HydrophobicContact CB-CE2 4.37Å; Q62-Y65 HydrophobicContact CG-CD2 4.47Å; Q62-Y65 PolarHBondContact O-N 2.7Å; Q62-Y66 WeakPolarHBondContact O-CD2 3.24Å; Q62-Y66 PolarHBondContact O-N 2.69Å; Q62-H136 PolarHBondContact NE2-CD2 2.88Å; Q62-H136 VanDerWaalsContact NE2-CD2 3.3Å; Q62-H136 PolarHBondContact NE2-NE2 2.97Å |
| 63 | P | 69.9 | Low | 81.7 | Confident | 24 Ų | 24 | 47.9 Ų | 47.9 | 16% | 0.156 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -49 | -40.1 | -175.1 | -31.4 | 37.3 | 0 | 0 | 0 | 115 | Y65 Y66 L67 L139 V144 | P63-Y65 PolarHBondContact O-N 2.96Å; P63-Y66 WeakPolarHBondContact O-CB 3.31Å; P63-Y66 PolarHBondContact O-N 3.2Å; P63-L67 PolarHBondContact O-N 2.92Å; P63-L139 HydrophobicContact CB-CB 4.17Å; P63-L139 HydrophobicContact CG-CB 4.45Å; P63-V144 HydrophobicContact CB-CG2 4.2Å |
| 64 | I | 74.2 | Confident | 82.1 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.087 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 179.8 | -176.9 | 64.7 | 0 | 0 | 0 | 113.3 | Q62 Y66 L67 L68 E125 | Q62-I64 HydrophobicContact CB-CG2 4.34Å; Q62-I64 PolarHBondContact O-N 3.36Å; Q62-I64 VanDerWaalsContact O-N 3.08Å; I64-Y66 VanDerWaalsContact C-N 3.3Å; I64-Y66 PolarHBondContact O-N 2.94Å; I64-L67 PolarHBondContact O-N 3.48Å; I64-L68 HydrophobicContact CG1-CD1 4.02Å; I64-L68 HydrophobicContact CG1-CG 4.48Å; I64-L68 VanDerWaalsContact O-CG 3.3Å; I64-L68 WeakPolarHBondContact O-CG 3.43Å; I64-L68 PolarHBondContact O-N 3.41Å; I64-E125 WeakPolarHBondContact CD1-OE2 3.32Å |
| 65 | Y | 79.8 | Confident | 82.4 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74 | -24.7 | -179.2 | -67.3 | -74.1 | 0 | 0 | 0 | 111.8 | F60 Q62 P63 L68 G69 | F60-Y65 HydrophobicContact CB-CD1 4.15Å; F60-Y65 HydrophobicContact CB-CD2 4.18Å; F60-Y65 HydrophobicContact CB-CG 3.91Å; F60-Y65 AromaticContact CD1-CD1 3.89Å; F60-Y65 HydrophobicContact CD1-CD1 3.89Å; F60-Y65 HydrophobicContact CD1-CD2 4.35Å; F60-Y65 AromaticContact CD1-CE1 3.56Å; F60-Y65 HydrophobicContact CD1-CE1 3.56Å; F60-Y65 HydrophobicContact CD1-CE2 4.07Å; F60-Y65 HydrophobicContact CD1-CG 4.29Å; F60-Y65 AromaticContact CD1-CZ 3.66Å; F60-Y65 HydrophobicContact CE1-CE1 4.05Å; F60-Y65 HydrophobicContact CG-CD1 4.25Å; F60-Y65 HydrophobicContact CG-CE1 4.36Å; F60-Y65 HydrophobicContact CG-CG 4.47Å; F60-Y65 WeakPolarHBondContact O-CB 3.28Å; F60-Y65 WeakPolarHBondContact O-CD2 3.3Å; Q62-Y65 HydrophobicContact CB-CD2 3.93Å; Q62-Y65 HydrophobicContact CB-CE2 4.37Å; Q62-Y65 HydrophobicContact CG-CD2 4.47Å; Q62-Y65 PolarHBondContact O-N 2.7Å; P63-Y65 PolarHBondContact O-N 2.96Å; Y65-L68 HydrophobicContact CD1-CD1 4Å; Y65-L68 HydrophobicContact CE1-CD1 4.49Å; Y65-G69 PolarHBondContact O-N 3.47Å |
| 66 | Y | 83.1 | Confident | 82.9 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 35% | 0.345 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.7 | -39.4 | 169.4 | -71.9 | -74.8 | 0 | 0 | 0 | 111.8 | Q62 P63 I64 G69 N70 | Q62-Y66 WeakPolarHBondContact O-CD2 3.24Å; Q62-Y66 PolarHBondContact O-N 2.69Å; P63-Y66 WeakPolarHBondContact O-CB 3.31Å; P63-Y66 PolarHBondContact O-N 3.2Å; I64-Y66 VanDerWaalsContact C-N 3.3Å; I64-Y66 PolarHBondContact O-N 2.94Å; Y66-G69 PolarHBondContact O-N 3.47Å; Y66-N70 PolarHBondContact O-N 3.34Å |
| 67 | L | 82.1 | Confident | 83.5 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.7 | -39 | 174 | -71.6 | 171.1 | 0 | 0 | 0 | 112.1 | P63 I64 G69 N70 L71 I122 E125 V144 | P63-L67 PolarHBondContact O-N 2.92Å; I64-L67 PolarHBondContact O-N 3.48Å; L67-G69 VanDerWaalsContact C-N 3.34Å; L67-N70 PolarHBondContact O-N 2.88Å; L67-L71 PolarHBondContact O-N 3.14Å; L67-I122 HydrophobicContact CB-CD1 4.42Å; L67-I122 HydrophobicContact CB-CG1 3.94Å; L67-I122 HydrophobicContact CD1-CG1 4.37Å; L67-E125 VanDerWaalsContact CD1-OE2 3.24Å; L67-E125 WeakPolarHBondContact CD1-OE2 3.34Å; L67-V144 HydrophobicContact CD2-CG1 4.35Å; L67-V144 HydrophobicContact CG-CG1 4.32Å |
| 68 | L | 83.2 | Confident | 84.3 | Confident | 31 Ų | 31 | 43 Ų | 43 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 172.3 | -67.5 | 164.6 | 0 | 0 | 0 | 111.7 | I64 Y65 L71 A72 Y292 | I64-L68 HydrophobicContact CG1-CD1 4.02Å; I64-L68 HydrophobicContact CG1-CG 4.48Å; I64-L68 VanDerWaalsContact O-CG 3.3Å; I64-L68 WeakPolarHBondContact O-CG 3.43Å; I64-L68 PolarHBondContact O-N 3.41Å; Y65-L68 HydrophobicContact CD1-CD1 4Å; Y65-L68 HydrophobicContact CE1-CD1 4.49Å; L68-L71 WeakPolarHBondContact O-CB 3.25Å; L68-L71 PolarHBondContact O-N 2.85Å; L68-A72 PolarHBondContact O-N 2.89Å; L68-Y292 HydrophobicContact CD2-CE1 3.67Å; L68-Y292 WeakPolarHBondContact CD2-OH 3.5Å |
| 69 | G | 88.1 | Confident | 85.1 | Confident | 15 Ų | 15 | 32.6 Ų | 32.6 | 16% | 0.155 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.4 | -39 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y65 Y66 L67 L71 A72 A73 | Y65-G69 PolarHBondContact O-N 3.47Å; Y66-G69 PolarHBondContact O-N 3.47Å; L67-G69 VanDerWaalsContact C-N 3.34Å; G69-L71 VanDerWaalsContact C-N 3.34Å; G69-A72 PolarHBondContact O-N 3.24Å; G69-A73 PolarHBondContact O-N 3.48Å |
| 70 | N | 91.3 | Very high | 86.2 | Confident | 12 Ų | 12 | 29 Ų | 29 | 6% | 0.064 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 173.4 | -168.1 | 62.5 | 0 | 0 | 0 | 112.1 | Y66 L67 A73 A74 T118 I148 W152 | Y66-N70 PolarHBondContact O-N 3.34Å; L67-N70 PolarHBondContact O-N 2.88Å; N70-A73 WeakPolarHBondContact O-CB 3.48Å; N70-A73 PolarHBondContact O-N 2.85Å; N70-A74 PolarHBondContact O-N 3.43Å; N70-T118 HydrophobicContact CB-CG2 4.44Å; N70-T118 PolarHBondContact ND2-OG1 2.88Å; N70-I148 HydrophobicContact CB-CD1 4.1Å; N70-I148 HydrophobicContact CB-CG1 4.08Å; N70-I148 VanDerWaalsContact OD1-CG2 3.29Å; N70-I148 WeakPolarHBondContact OD1-CG2 3.33Å; N70-W152 PolarHBondContact OD1-NE1 3.39Å |
| 71 | L | 89.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 173.7 | -174.5 | 62.3 | 0 | 0 | 0 | 110.9 | L67 L68 G69 A73 A74 D75 T118 L119 I122 I243 | L67-L71 PolarHBondContact O-N 3.14Å; L68-L71 WeakPolarHBondContact O-CB 3.25Å; L68-L71 PolarHBondContact O-N 2.85Å; G69-L71 VanDerWaalsContact C-N 3.34Å; L71-A73 VanDerWaalsContact C-N 3.28Å; L71-A73 PolarHBondContact O-N 3.34Å; L71-A74 WeakPolarHBondContact O-CB 3.43Å; L71-A74 PolarHBondContact O-N 2.91Å; L71-A74 VanDerWaalsContact O-N 3.14Å; L71-D75 PolarHBondContact O-N 3.48Å; L71-T118 HydrophobicContact CB-CG2 3.92Å; L71-T118 HydrophobicContact CD1-CG2 4.26Å; L71-L119 HydrophobicContact CD1-CD2 4.15Å; L71-L119 HydrophobicContact CD1-CG 4.11Å; L71-L119 HydrophobicContact CD2-CD2 3.85Å; L71-I122 HydrophobicContact CD2-CD1 4.34Å; L71-I243 HydrophobicContact CD2-CG2 4.39Å |
| 72 | A | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.3 | -34.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V50 I51 L68 G69 D75 L76 | V50-A72 HydrophobicContact CB-CB 4.15Å; V50-A72 HydrophobicContact CG1-CB 3.57Å; I51-A72 HydrophobicContact CD1-CB 4.4Å; I51-A72 HydrophobicContact CG1-CB 3.89Å; L68-A72 PolarHBondContact O-N 2.89Å; G69-A72 PolarHBondContact O-N 3.24Å; A72-D75 PolarHBondContact O-N 3.47Å; A72-L76 WeakPolarHBondContact O-CB 3.35Å; A72-L76 PolarHBondContact O-N 3.49Å |
| 73 | A | 93.1 | Very high | 89.4 | Confident | 30 Ų | 30 | 24.3 Ų | 24.3 | 25% | 0.248 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.4 | -38.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I51 G69 N70 L71 L76 F77 W152 | I51-A73 HydrophobicContact CD1-CB 4.33Å; G69-A73 PolarHBondContact O-N 3.48Å; N70-A73 WeakPolarHBondContact O-CB 3.48Å; N70-A73 PolarHBondContact O-N 2.85Å; L71-A73 VanDerWaalsContact C-N 3.28Å; L71-A73 PolarHBondContact O-N 3.34Å; A73-L76 PolarHBondContact O-N 3.33Å; A73-F77 WeakPolarHBondContact O-CB 3.28Å; A73-F77 PolarHBondContact O-N 3.06Å; A73-W152 HydrophobicContact CB-CZ2 4.33Å |
| 74 | A | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N70 L71 F77 A78 A114 W152 | N70-A74 PolarHBondContact O-N 3.43Å; L71-A74 WeakPolarHBondContact O-CB 3.43Å; L71-A74 PolarHBondContact O-N 2.91Å; L71-A74 VanDerWaalsContact O-N 3.14Å; A74-F77 WeakPolarHBondContact O-CB 3.28Å; A74-F77 PolarHBondContact O-N 3.18Å; A74-A78 PolarHBondContact O-N 3Å; A74-A114 HydrophobicContact CB-CB 4.05Å; A74-W152 HydrophobicContact CB-CH2 4.46Å; A74-W152 HydrophobicContact CB-CZ2 4.45Å |
| 75 | D | 94 | Very high | 91.6 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68 | -36 | 174.4 | -74.1 | -43.8 | 0 | 0 | 0 | 112.9 | V43 N47 L71 A72 F77 A78 G79 S285 N288 | V43-D75 WeakPolarHBondContact CG1-O 3.3Å; N47-D75 HydrophobicContact CB-CB 4.47Å; L71-D75 PolarHBondContact O-N 3.48Å; A72-D75 PolarHBondContact O-N 3.47Å; D75-F77 VanDerWaalsContact C-N 3.32Å; D75-A78 WeakPolarHBondContact O-CB 3.39Å; D75-A78 PolarHBondContact O-N 2.86Å; D75-G79 PolarHBondContact O-N 3.04Å; D75-S285 VanDerWaalsContact OD1-CB 3.3Å; D75-S285 WeakPolarHBondContact OD1-CB 3.31Å; D75-S285 PolarHBondContact OD1-OG 3.35Å; D75-N288 PolarHBondContact OD2-ND2 3.42Å |
| 76 | L | 94.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 23.6 Ų | 23.6 | 22% | 0.215 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | 172.4 | -172 | 76.8 | 0 | 0 | 0 | 110.5 | L44 N47 L48 I51 A72 A73 G79 M80 | L44-L76 HydrophobicContact CB-CD1 4.42Å; L44-L76 HydrophobicContact CD2-CD1 3.71Å; L44-L76 HydrophobicContact CD2-CG 4.21Å; L44-L76 WeakPolarHBondContact CD2-O 3.47Å; L44-L76 WeakPolarHBondContact O-CD1 3.32Å; N47-L76 HydrophobicContact CB-CB 4.39Å; L48-L76 HydrophobicContact CB-CD1 4.3Å; I51-L76 HydrophobicContact CD1-CD2 4.18Å; A72-L76 WeakPolarHBondContact O-CB 3.35Å; A72-L76 PolarHBondContact O-N 3.49Å; A73-L76 PolarHBondContact O-N 3.33Å; L76-G79 PolarHBondContact O-N 3.42Å; L76-M80 PolarHBondContact O-N 2.92Å |
| 77 | F | 96.1 | Very high | 92.8 | Very high | 41 Ų | 41 | 24.2 Ų | 24.2 | 18% | 0.18 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | 174.7 | -177.8 | -94.8 | 0 | 0 | 0 | 111.9 | A73 A74 D75 G79 M80 A81 L107 T110 W152 | A73-F77 WeakPolarHBondContact O-CB 3.28Å; A73-F77 PolarHBondContact O-N 3.06Å; A74-F77 WeakPolarHBondContact O-CB 3.28Å; A74-F77 PolarHBondContact O-N 3.18Å; D75-F77 VanDerWaalsContact C-N 3.32Å; F77-G79 PolarHBondContact O-N 2.88Å; F77-M80 HydrophobicContact CB-CE 4.44Å; F77-M80 HydrophobicContact CD2-CE 3.95Å; F77-M80 PolarHBondContact O-N 3.5Å; F77-A81 PolarHBondContact O-N 2.95Å; F77-L107 HydrophobicContact CE1-CD2 4.43Å; F77-L107 WeakPolarHBondContact CE1-O 3.42Å; F77-L107 HydrophobicContact CE2-CD2 4.08Å; F77-L107 HydrophobicContact CZ-CD2 3.54Å; F77-T110 HydrophobicContact CE1-CG2 3.66Å; F77-T110 HydrophobicContact CZ-CG2 3.97Å; F77-W152 HydrophobicContact CB-CH2 3.97Å; F77-W152 HydrophobicContact CB-CZ3 4.36Å; F77-W152 HydrophobicContact CD1-CZ3 4.31Å; F77-W152 HydrophobicContact CD2-CZ3 4.47Å; F77-W152 HydrophobicContact CG-CH2 4.24Å; F77-W152 HydrophobicContact CG-CZ3 4.13Å |
| 78 | A | 95.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.5 | -46.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A74 D75 M80 A81 Y82 | A74-A78 PolarHBondContact O-N 3Å; D75-A78 WeakPolarHBondContact O-CB 3.39Å; D75-A78 PolarHBondContact O-N 2.86Å; A78-M80 VanDerWaalsContact C-N 3.3Å; A78-M80 PolarHBondContact O-N 3.01Å; A78-A81 CarbonylContact O-C 3.26Å; A78-A81 WeakPolarHBondContact O-CA 3.35Å; A78-A81 WeakPolarHBondContact O-CB 3.46Å; A78-A81 PolarHBondContact O-N 3.13Å; A78-Y82 HydrophobicContact CB-CD2 4.38Å; A78-Y82 HydrophobicContact CB-CE2 4.48Å; A78-Y82 WeakPolarHBondContact O-CD2 3.14Å; A78-Y82 PolarHBondContact O-N 3.35Å |
| 79 | G | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.9 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | D75 L76 F77 L83 | D75-G79 PolarHBondContact O-N 3.04Å; L76-G79 PolarHBondContact O-N 3.42Å; F77-G79 PolarHBondContact O-N 2.88Å; G79-L83 WeakPolarHBondContact O-CB 3.4Å; G79-L83 PolarHBondContact O-N 3.15Å |
| 80 | M | 95.8 | Very high | 93.7 | Very high | 98 Ų | 98 | 26 Ų | 26 | 48% | 0.483 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 173.4 | -66.9 | -169.1 | -65.6 | 0 | 0 | 112.4 | L44 L76 F77 A78 L83 F84 | L44-M80 HydrophobicContact CD2-CG 3.76Å; L76-M80 PolarHBondContact O-N 2.92Å; F77-M80 HydrophobicContact CB-CE 4.44Å; F77-M80 HydrophobicContact CD2-CE 3.95Å; F77-M80 PolarHBondContact O-N 3.5Å; A78-M80 VanDerWaalsContact C-N 3.3Å; A78-M80 PolarHBondContact O-N 3.01Å; M80-L83 PolarHBondContact O-N 3.11Å; M80-F84 WeakPolarHBondContact O-CB 3.35Å; M80-F84 PolarHBondContact O-N 2.87Å |
| 81 | A | 96.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | F77 A78 F84 L85 L107 L108 | F77-A81 PolarHBondContact O-N 2.95Å; A78-A81 CarbonylContact O-C 3.26Å; A78-A81 WeakPolarHBondContact O-CA 3.35Å; A78-A81 WeakPolarHBondContact O-CB 3.46Å; A78-A81 PolarHBondContact O-N 3.13Å; A81-F84 PolarHBondContact O-N 2.94Å; A81-L85 WeakPolarHBondContact O-CB 3.32Å; A81-L85 PolarHBondContact O-N 3.23Å; A81-L107 HydrophobicContact CB-CB 3.74Å; A81-L108 HydrophobicContact CB-CD2 3.96Å |
| 82 | Y | 95.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.2 | -39.9 | 175.2 | -81.1 | -73.9 | 0 | 0 | 0 | 112 | S40 A78 F84 L85 M86 L108 W251 L278 A281 E282 | S40-Y82 WeakPolarHBondContact OG-CB 3.3Å; A78-Y82 HydrophobicContact CB-CD2 4.38Å; A78-Y82 HydrophobicContact CB-CE2 4.48Å; A78-Y82 WeakPolarHBondContact O-CD2 3.14Å; A78-Y82 PolarHBondContact O-N 3.35Å; Y82-F84 VanDerWaalsContact C-N 3.32Å; Y82-F84 PolarHBondContact O-N 3.31Å; Y82-L85 HydrophobicContact CD1-CD2 3.97Å; Y82-L85 HydrophobicContact CE1-CD2 4.31Å; Y82-L85 WeakPolarHBondContact O-CB 3.35Å; Y82-L85 PolarHBondContact O-N 2.83Å; Y82-M86 VanDerWaalsContact O-CG 3.29Å; Y82-M86 WeakPolarHBondContact O-CG 3.37Å; Y82-M86 PolarHBondContact O-N 3.17Å; Y82-L108 HydrophobicContact CD1-CD2 3.95Å; Y82-L108 HydrophobicContact CD2-CD2 4.19Å; Y82-L108 HydrophobicContact CE1-CD2 3.96Å; Y82-L108 HydrophobicContact CE2-CD2 4.18Å; Y82-L108 HydrophobicContact CG-CD2 4.06Å; Y82-W251 WeakPolarHBondContact OH-CH2 3.47Å; Y82-L278 HydrophobicContact CE1-CD2 4.28Å; Y82-A281 WeakPolarHBondContact OH-CB 3.45Å; Y82-E282 HydrophobicContact CD1-CB 3.95Å; Y82-E282 HydrophobicContact CD1-CG 3.88Å; Y82-E282 HydrophobicContact CD2-CB 4.2Å; Y82-E282 HydrophobicContact CD2-CG 3.83Å; Y82-E282 HydrophobicContact CE1-CB 3.83Å; Y82-E282 HydrophobicContact CE1-CG 4.27Å; Y82-E282 HydrophobicContact CE2-CB 4.11Å; Y82-E282 HydrophobicContact CE2-CG 4.24Å; Y82-E282 HydrophobicContact CG-CB 4.14Å; Y82-E282 HydrophobicContact CG-CG 3.66Å |
| 83 | L | 95.2 | Very high | 93.7 | Very high | 45 Ų | 45 | 31.5 Ų | 31.5 | 24% | 0.236 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.9 | -47.8 | 173.3 | -173.9 | 68 | 0 | 0 | 0 | 110.8 | L37 S40 L44 G79 M80 L85 M86 F87 | L37-L83 HydrophobicContact CD2-CD1 3.65Å; S40-L83 PolarHBondContact OG-N 3.44Å; L44-L83 HydrophobicContact CD1-CD2 4.14Å; G79-L83 WeakPolarHBondContact O-CB 3.4Å; G79-L83 PolarHBondContact O-N 3.15Å; M80-L83 PolarHBondContact O-N 3.11Å; L83-L85 PolarHBondContact O-N 3.46Å; L83-M86 PolarHBondContact O-N 3.36Å; L83-F87 HydrophobicContact CD1-CD2 4.18Å; L83-F87 HydrophobicContact CD1-CE2 3.62Å; L83-F87 HydrophobicContact CD2-CE2 4.33Å; L83-F87 HydrophobicContact CG-CD2 3.99Å; L83-F87 HydrophobicContact CG-CE2 3.71Å; L83-F87 WeakPolarHBondContact O-CD2 3.4Å; L83-F87 PolarHBondContact O-N 3.5Å |
| 84 | F | 95.7 | Very high | 93.5 | Very high | 59 Ų | 59 | 31.8 Ų | 31.8 | 26% | 0.259 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 176.2 | -175.4 | -105.3 | 0 | 0 | 0 | 112.3 | M80 A81 Y82 H88 L103 R104 L107 | M80-F84 WeakPolarHBondContact O-CB 3.35Å; M80-F84 PolarHBondContact O-N 2.87Å; A81-F84 PolarHBondContact O-N 2.94Å; Y82-F84 VanDerWaalsContact C-N 3.32Å; Y82-F84 PolarHBondContact O-N 3.31Å; F84-H88 AromaticContact CD2-CE1 3.61Å; F84-H88 AromaticContact CD2-ND1 3.71Å; F84-H88 AromaticContact CE2-CE1 3.16Å; F84-H88 WeakPolarHBondContact CE2-CE1 3.39Å; F84-H88 AromaticContact CE2-ND1 3.58Å; F84-H88 AromaticContact CZ-CE1 3.61Å; F84-H88 AromaticContact CZ-ND1 3.79Å; F84-H88 PolarHBondContact O-N 2.99Å; F84-H88 PolarHBondContact O-ND1 3.04Å; F84-L103 HydrophobicContact CZ-CD2 4.43Å; F84-R104 HydrophobicContact CD1-CB 4.02Å; F84-R104 HydrophobicContact CD1-CG 3.93Å; F84-R104 HydrophobicContact CE1-CB 3.7Å; F84-R104 HydrophobicContact CE1-CG 4.06Å; F84-L107 HydrophobicContact CD1-CD1 4.04Å; F84-L107 HydrophobicContact CG-CD1 4.48Å |
| 85 | L | 94.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.5 | -50.7 | 173.4 | 172.8 | 68.9 | 0 | 0 | 0 | 111.4 | A81 Y82 L83 F87 H88 T89 R104 L108 L278 | A81-L85 WeakPolarHBondContact O-CB 3.32Å; A81-L85 PolarHBondContact O-N 3.23Å; Y82-L85 HydrophobicContact CD1-CD2 3.97Å; Y82-L85 HydrophobicContact CE1-CD2 4.31Å; Y82-L85 WeakPolarHBondContact O-CB 3.35Å; Y82-L85 PolarHBondContact O-N 2.83Å; L83-L85 PolarHBondContact O-N 3.46Å; L85-F87 PolarHBondContact O-N 2.91Å; L85-H88 CarbonylContact O-C 3.3Å; L85-H88 VanDerWaalsContact O-C 3.3Å; L85-H88 PolarHBondContact O-N 3.22Å; L85-H88 VanDerWaalsContact O-N 3.08Å; L85-T89 PolarHBondContact O-N 3.47Å; L85-T89 PolarHBondContact O-OG1 3.29Å; L85-R104 HydrophobicContact CB-CG 4.4Å; L85-R104 HydrophobicContact CD1-CG 4.05Å; L85-L108 HydrophobicContact CD1-CD1 4.26Å; L85-L108 HydrophobicContact CD2-CD1 3.92Å; L85-L108 HydrophobicContact CD2-CD2 4.38Å; L85-L108 HydrophobicContact CG-CD1 4.45Å; L85-L278 HydrophobicContact CD2-CD2 4.4Å |
| 86 | M | 94.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -39.6 | -176.7 | -67.9 | -59.3 | 160.6 | 0 | 0 | 111.8 | L37 Y82 L83 H88 T89 L279 | L37-M86 HydrophobicContact CD2-CB 3.65Å; L37-M86 HydrophobicContact CG-CB 3.96Å; Y82-M86 VanDerWaalsContact O-CG 3.29Å; Y82-M86 WeakPolarHBondContact O-CG 3.37Å; Y82-M86 PolarHBondContact O-N 3.17Å; L83-M86 PolarHBondContact O-N 3.36Å; M86-H88 PolarHBondContact O-N 2.96Å; M86-T89 PolarHBondContact O-N 3.33Å; M86-L279 HydrophobicContact CE-CD2 4.48Å |
| 87 | F | 92.9 | Very high | 93.3 | Very high | 101 Ų | 101 | 44.6 Ų | 44.6 | 44% | 0.443 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.8 | -30.5 | 174.1 | -83.6 | -64.1 | 0 | 0 | 0 | 113.4 | L37 L83 L85 R92 | L37-F87 HydrophobicContact CD2-CD2 4.35Å; L37-F87 HydrophobicContact CD2-CE2 4.13Å; L37-F87 HydrophobicContact CD2-CZ 4.24Å; L83-F87 HydrophobicContact CD1-CD2 4.18Å; L83-F87 HydrophobicContact CD1-CE2 3.62Å; L83-F87 HydrophobicContact CD2-CE2 4.33Å; L83-F87 HydrophobicContact CG-CD2 3.99Å; L83-F87 HydrophobicContact CG-CE2 3.71Å; L83-F87 WeakPolarHBondContact O-CD2 3.4Å; L83-F87 PolarHBondContact O-N 3.5Å; L85-F87 PolarHBondContact O-N 2.91Å; F87-R92 WeakPolarHBondContact O-CD 3.46Å; F87-R92 PolarHBondContact O-NH1 3.41Å |
| 88 | H | 92.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 25% | 0.25 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 22.9 | -179.3 | -62.6 | 89.3 | 0 | 0 | 0 | 113.6 | F84 L85 M86 T93 L96 R104 | F84-H88 AromaticContact CD2-CE1 3.61Å; F84-H88 AromaticContact CD2-ND1 3.71Å; F84-H88 AromaticContact CE2-CE1 3.16Å; F84-H88 WeakPolarHBondContact CE2-CE1 3.39Å; F84-H88 AromaticContact CE2-ND1 3.58Å; F84-H88 AromaticContact CZ-CE1 3.61Å; F84-H88 AromaticContact CZ-ND1 3.79Å; F84-H88 PolarHBondContact O-N 2.99Å; F84-H88 PolarHBondContact O-ND1 3.04Å; L85-H88 CarbonylContact O-C 3.3Å; L85-H88 VanDerWaalsContact O-C 3.3Å; L85-H88 PolarHBondContact O-N 3.22Å; L85-H88 VanDerWaalsContact O-N 3.08Å; M86-H88 PolarHBondContact O-N 2.96Å; H88-T93 PolarHBondContact O-OG1 3.44Å; H88-T93 VanDerWaalsContact O-OG1 3.08Å; H88-L96 HydrophobicContact CB-CD1 4.07Å; H88-L96 HydrophobicContact CB-CD2 4.37Å; H88-L96 HydrophobicContact CB-CG 4.43Å; H88-R104 PolarHBondContact O-NH1 3.35Å |
| 89 | T | 91.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | trans | -94.4 | 159.4 | 176.8 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | V33 L85 M86 | V33-T89 HydrophobicContact CG2-CG2 3.77Å; L85-T89 PolarHBondContact O-N 3.47Å; L85-T89 PolarHBondContact O-OG1 3.29Å; M86-T89 PolarHBondContact O-N 3.33Å | ||
| 90 | G | 88.6 | Confident | 93 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | 74 | -140.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R92 T93 | G90-R92 PolarHBondContact O-N 2.83Å; G90-R92 VanDerWaalsContact O-N 3.08Å; G90-T93 PolarHBondContact N-OG1 3.48Å; G90-T93 VanDerWaalsContact O-CB 3.25Å; G90-T93 WeakPolarHBondContact O-CB 3.48Å; G90-T93 PolarHBondContact O-N 3.47Å; G90-T93 PolarHBondContact O-OG1 3.48Å |
| 91 | P | 88.4 | Confident | 93 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -57.3 | -25.6 | -179.1 | -25.7 | 34.6 | 0 | 0 | 0 | 114.2 | S22 W25 T93 A94 | S22-P91 WeakPolarHBondContact O-CA 3.47Å; W25-P91 HydrophobicContact CD2-CG 4.01Å; W25-P91 HydrophobicContact CG-CG 4.08Å; P91-T93 PolarHBondContact O-N 3.11Å; P91-A94 WeakPolarHBondContact O-CB 3.04Å; P91-A94 PolarHBondContact O-N 2.97Å |
| 92 | R | 91.6 | Very high | 93 | Very high | 104 Ų | 104 | 49 Ų | 49 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -70.4 | -21.3 | 178.4 | -64.8 | 176.4 | -173 | 154.5 | 3.8 | 112.9 | W25 F87 G90 A94 R95 | W25-R92 HydrophobicContact CZ2-CG 4.42Å; F87-R92 WeakPolarHBondContact O-CD 3.46Å; F87-R92 PolarHBondContact O-NH1 3.41Å; G90-R92 PolarHBondContact O-N 2.83Å; G90-R92 VanDerWaalsContact O-N 3.08Å; R92-A94 PolarHBondContact O-N 3.4Å; R92-R95 PolarHBondContact O-N 3.31Å; R92-R95 VanDerWaalsContact O-N 3.1Å |
| 93 | T | 91.9 | Very high | 93 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -59.1 | -35.6 | 175.9 | -48.4 | 0 | 0 | 0 | 0 | 111.4 | I10 Y14 L21 H88 G90 P91 R95 L96 | I10-T93 HydrophobicContact CG2-CG2 4.32Å; Y14-T93 HydrophobicContact CE1-CG2 4.38Å; Y14-T93 HydrophobicContact CE2-CG2 4.32Å; Y14-T93 WeakPolarHBondContact OH-CG2 3.44Å; L21-T93 HydrophobicContact CD1-CG2 3.92Å; H88-T93 PolarHBondContact O-OG1 3.44Å; H88-T93 VanDerWaalsContact O-OG1 3.08Å; G90-T93 PolarHBondContact N-OG1 3.48Å; G90-T93 VanDerWaalsContact O-CB 3.25Å; G90-T93 WeakPolarHBondContact O-CB 3.48Å; G90-T93 PolarHBondContact O-N 3.47Å; G90-T93 PolarHBondContact O-OG1 3.48Å; P91-T93 PolarHBondContact O-N 3.11Å; T93-R95 PolarHBondContact O-N 2.97Å; T93-L96 HydrophobicContact CG2-CD1 4.45Å; T93-L96 WeakPolarHBondContact O-CB 3.45Å; T93-L96 PolarHBondContact O-N 3.4Å |
| 94 | A | 89.3 | Confident | 93 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -64.1 | -26 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L21 P91 R92 | L21-A94 HydrophobicContact CD2-CB 3.4Å; L21-A94 VanDerWaalsContact CD2-CB 3.4Å; P91-A94 WeakPolarHBondContact O-CB 3.04Å; P91-A94 PolarHBondContact O-N 2.97Å; R92-A94 PolarHBondContact O-N 3.4Å |
| 95 | R | 90.5 | Very high | 92.9 | Very high | 216 Ų | 216 | 50.7 Ų | 50.7 | 82% | 0.815 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -89.4 | -5.6 | -175.3 | -57.4 | -176.7 | -178.1 | -174.7 | -2 | 113 | R92 T93 | R92-R95 PolarHBondContact O-N 3.31Å; R92-R95 VanDerWaalsContact O-N 3.1Å; T93-R95 PolarHBondContact O-N 2.97Å |
| 96 | L | 92.9 | Very high | 92.9 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | trans | -69.8 | 145.6 | 176.5 | -78.7 | 164.5 | 0 | 0 | 0 | 110.3 | I10 H88 T93 W101 | I10-L96 HydrophobicContact CG1-CB 4.19Å; I10-L96 WeakPolarHBondContact CG1-O 3.35Å; H88-L96 HydrophobicContact CB-CD1 4.07Å; H88-L96 HydrophobicContact CB-CD2 4.37Å; H88-L96 HydrophobicContact CB-CG 4.43Å; T93-L96 HydrophobicContact CG2-CD1 4.45Å; T93-L96 WeakPolarHBondContact O-CB 3.45Å; T93-L96 PolarHBondContact O-N 3.4Å; L96-W101 HydrophobicContact CD1-CB 4.47Å | ||
| 97 | S | 94.8 | Very high | 93 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 52% | 0.524 | 26% | 0.256 | S | S | . | . | trans | -77.5 | 161.5 | 161 | 66 | 0 | 0 | 0 | 0 | 110.2 | K99 G100 W101 | S97-K99 PolarHBondContact O-N 3.02Å; S97-G100 PolarHBondContact O-N 3.39Å; S97-G100 VanDerWaalsContact O-N 3.08Å; S97-G100 PolarHBondContact OG-N 2.88Å; S97-G100 VanDerWaalsContact OG-N 3.09Å; S97-W101 PolarHBondContact O-N 3.18Å | ||
| 98 | I | 94 | Very high | 93.1 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -51.6 | -46.6 | 173.2 | -65.3 | 179.7 | 0 | 0 | 0 | 110.8 | Y6 I10 F13 G100 W101 F102 L169 L181 | Y6-I98 VanDerWaalsContact O-CD1 3.26Å; Y6-I98 WeakPolarHBondContact O-CD1 3.34Å; I10-I98 HydrophobicContact CD1-CG1 4.32Å; F13-I98 HydrophobicContact CE2-CD1 3.91Å; F13-I98 HydrophobicContact CE2-CG1 4.34Å; F13-I98 HydrophobicContact CZ-CD1 4.37Å; I98-G100 PolarHBondContact O-N 3.29Å; I98-W101 PolarHBondContact O-N 3.49Å; I98-F102 HydrophobicContact CG2-CD2 3.72Å; I98-F102 HydrophobicContact CG2-CE2 3.51Å; I98-F102 WeakPolarHBondContact O-CD2 3.17Å; I98-F102 PolarHBondContact O-N 2.88Å; I98-L169 HydrophobicContact CD1-CD2 4.01Å; I98-L169 HydrophobicContact CG2-CD1 4.46Å; I98-L169 HydrophobicContact CG2-CD2 4.33Å; I98-L181 HydrophobicContact CG2-CD2 4.04Å |
| 99 | K | 93.2 | Very high | 93.2 | Very high | 180 Ų | 180 | 45.9 Ų | 45.9 | 78% | 0.783 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.1 | -43.5 | 177 | -65.1 | -177.3 | -178.7 | 178.7 | 0 | 112.5 | S97 W101 F102 L103 | S97-K99 PolarHBondContact O-N 3.02Å; K99-W101 VanDerWaalsContact C-N 3.29Å; K99-W101 PolarHBondContact O-N 3.27Å; K99-F102 PolarHBondContact O-N 3.32Å; K99-L103 WeakPolarHBondContact O-CB 3.42Å; K99-L103 PolarHBondContact O-N 3.09Å |
| 100 | G | 94.3 | Very high | 93.4 | Very high | 14 Ų | 14 | 45 Ų | 45 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S97 I98 R104 | S97-G100 PolarHBondContact O-N 3.39Å; S97-G100 VanDerWaalsContact O-N 3.08Å; S97-G100 PolarHBondContact OG-N 2.88Å; S97-G100 VanDerWaalsContact OG-N 3.09Å; I98-G100 PolarHBondContact O-N 3.29Å; G100-R104 WeakPolarHBondContact O-CB 3.41Å; G100-R104 PolarHBondContact O-N 3.14Å |
| 101 | W | 95.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.1 | -44.5 | 175 | -169.7 | 106.3 | 0 | 0 | 0 | 111.7 | I10 Y14 L96 S97 I98 K99 L103 R104 Q105 V179 L181 F182 | I10-W101 HydrophobicContact CD1-CB 3.69Å; I10-W101 HydrophobicContact CD1-CG 3.93Å; Y14-W101 AromaticContact CE2-NE1 3.53Å; Y14-W101 AromaticContact CZ-NE1 3.76Å; Y14-W101 PolarHBondContact OH-NE1 2.96Å; Y14-W101 VanDerWaalsContact OH-NE1 3.07Å; L96-W101 HydrophobicContact CD1-CB 4.47Å; S97-W101 PolarHBondContact O-N 3.18Å; I98-W101 PolarHBondContact O-N 3.49Å; K99-W101 VanDerWaalsContact C-N 3.29Å; K99-W101 PolarHBondContact O-N 3.27Å; W101-L103 PolarHBondContact O-N 3.39Å; W101-R104 VanDerWaalsContact CD1-NH2 3.33Å; W101-R104 WeakPolarHBondContact O-CB 3.33Å; W101-R104 PolarHBondContact O-N 3.37Å; W101-Q105 HydrophobicContact CE3-CB 4.46Å; W101-Q105 HydrophobicContact CZ3-CB 4.18Å; W101-Q105 PolarHBondContact O-N 3.37Å; W101-V179 HydrophobicContact CH2-CB 4.48Å; W101-V179 HydrophobicContact CH2-CG1 3.37Å; W101-V179 HydrophobicContact CZ2-CG1 3.97Å; W101-V179 HydrophobicContact CZ3-CG1 4.37Å; W101-L181 HydrophobicContact CB-CD2 4.37Å; W101-L181 HydrophobicContact CD2-CD1 4.14Å; W101-L181 HydrophobicContact CD2-CD2 3.92Å; W101-L181 HydrophobicContact CD2-CG 4.43Å; W101-L181 HydrophobicContact CE3-CB 3.93Å; W101-L181 HydrophobicContact CE3-CD1 4.38Å; W101-L181 HydrophobicContact CE3-CD2 3.68Å; W101-L181 HydrophobicContact CE3-CG 4.21Å; W101-L181 HydrophobicContact CG-CD2 4.23Å; W101-L181 HydrophobicContact CH2-CB 3.77Å; W101-L181 HydrophobicContact CH2-CD1 4.38Å; W101-L181 HydrophobicContact CZ2-CB 4.42Å; W101-L181 HydrophobicContact CZ2-CD1 4.17Å; W101-L181 HydrophobicContact CZ3-CB 3.55Å; W101-L181 HydrophobicContact CZ3-CD2 4.21Å; W101-L181 HydrophobicContact CZ3-CG 4.3Å; W101-F182 HydrophobicContact CH2-CD1 4.03Å; W101-F182 HydrophobicContact CH2-CE1 4.18Å; W101-F182 AromaticContact CZ3-CD1 3.76Å; W101-F182 HydrophobicContact CZ3-CD1 3.76Å; W101-F182 AromaticContact CZ3-CE1 3.58Å; W101-F182 HydrophobicContact CZ3-CE1 3.58Å; W101-F182 HydrophobicContact CZ3-CZ 4.42Å |
| 102 | F | 95.7 | Very high | 93.9 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 174.6 | -82.8 | -66.3 | 0 | 0 | 0 | 112.3 | I98 K99 R104 Q105 G106 A163 H167 L169 L181 F182 | I98-F102 HydrophobicContact CG2-CD2 3.72Å; I98-F102 HydrophobicContact CG2-CE2 3.51Å; I98-F102 WeakPolarHBondContact O-CD2 3.17Å; I98-F102 PolarHBondContact O-N 2.88Å; K99-F102 PolarHBondContact O-N 3.32Å; F102-R104 VanDerWaalsContact C-N 3.34Å; F102-R104 PolarHBondContact O-N 3.33Å; F102-Q105 PolarHBondContact O-N 3.41Å; F102-G106 WeakPolarHBondContact O-CA 3.19Å; F102-G106 PolarHBondContact O-N 2.84Å; F102-A163 HydrophobicContact CB-CB 3.97Å; F102-A163 HydrophobicContact CD1-CB 3.79Å; F102-A163 HydrophobicContact CE1-CB 4.47Å; F102-A163 HydrophobicContact CG-CB 3.89Å; F102-H167 HydrophobicContact CE1-CB 4.19Å; F102-H167 HydrophobicContact CZ-CB 3.79Å; F102-L169 HydrophobicContact CE2-CD1 3.72Å; F102-L169 HydrophobicContact CZ-CD1 3.83Å; F102-L181 HydrophobicContact CD2-CD2 4.42Å; F102-L181 HydrophobicContact CE1-CB 4.41Å; F102-L181 HydrophobicContact CE2-CD2 3.94Å; F102-L181 HydrophobicContact CZ-CB 4Å; F102-L181 HydrophobicContact CZ-CD2 4.22Å; F102-F182 HydrophobicContact CD1-CD1 4.49Å; F102-F182 AromaticContact CD1-CE1 3.73Å; F102-F182 HydrophobicContact CD1-CE1 3.73Å; F102-F182 AromaticContact CE1-CD1 3.91Å; F102-F182 HydrophobicContact CE1-CD1 3.91Å; F102-F182 AromaticContact CE1-CE1 3.58Å; F102-F182 HydrophobicContact CE1-CE1 3.58Å |
| 103 | L | 95.3 | Very high | 94 | Very high | 97 Ų | 97 | 40 Ų | 40 | 51% | 0.508 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.9 | -48 | 173.8 | 178.8 | 64.4 | 0 | 0 | 0 | 110.5 | F84 K99 W101 Q105 G106 L107 | F84-L103 HydrophobicContact CZ-CD2 4.43Å; K99-L103 WeakPolarHBondContact O-CB 3.42Å; K99-L103 PolarHBondContact O-N 3.09Å; W101-L103 PolarHBondContact O-N 3.39Å; L103-Q105 PolarHBondContact O-N 3.1Å; L103-G106 PolarHBondContact O-N 2.92Å; L103-L107 HydrophobicContact CD1-CD1 4.27Å; L103-L107 HydrophobicContact CD1-CD2 4.43Å; L103-L107 HydrophobicContact CD1-CG 4.14Å; L103-L107 HydrophobicContact CG-CD1 4.19Å; L103-L107 HydrophobicContact CG-CG 4.46Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 WeakPolarHBondContact O-CG 3.3Å; L103-L107 PolarHBondContact O-N 2.84Å |
| 104 | R | 95.2 | Very high | 94.1 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.5 | -48.9 | 178.6 | -170.8 | -178.2 | 70.4 | 169.7 | -0.9 | 112 | Y14 F84 L85 H88 G100 W101 F102 | Y14-R104 PolarHBondContact OH-NH2 3.37Å; F84-R104 HydrophobicContact CD1-CB 4.02Å; F84-R104 HydrophobicContact CD1-CG 3.93Å; F84-R104 HydrophobicContact CE1-CB 3.7Å; F84-R104 HydrophobicContact CE1-CG 4.06Å; L85-R104 HydrophobicContact CB-CG 4.4Å; L85-R104 HydrophobicContact CD1-CG 4.05Å; H88-R104 PolarHBondContact O-NH1 3.35Å; G100-R104 WeakPolarHBondContact O-CB 3.41Å; G100-R104 PolarHBondContact O-N 3.14Å; W101-R104 VanDerWaalsContact CD1-NH2 3.33Å; W101-R104 WeakPolarHBondContact O-CB 3.33Å; W101-R104 PolarHBondContact O-N 3.37Å; F102-R104 VanDerWaalsContact C-N 3.34Å; F102-R104 PolarHBondContact O-N 3.33Å |
| 105 | Q | 94.8 | Very high | 94.2 | Very high | 36 Ų | 36 | 38.2 Ų | 38.2 | 17% | 0.168 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73 | -41.9 | -178.8 | -169 | 58.3 | 43.6 | 0 | 0 | 112 | W101 F102 L103 L107 L108 D109 V179 F182 | W101-Q105 HydrophobicContact CE3-CB 4.46Å; W101-Q105 HydrophobicContact CZ3-CB 4.18Å; W101-Q105 PolarHBondContact O-N 3.37Å; F102-Q105 PolarHBondContact O-N 3.41Å; L103-Q105 PolarHBondContact O-N 3.1Å; Q105-L107 VanDerWaalsContact C-N 3.3Å; Q105-L107 PolarHBondContact O-N 2.66Å; Q105-L108 WeakPolarHBondContact O-CB 3.32Å; Q105-L108 PolarHBondContact O-N 3.4Å; Q105-L108 VanDerWaalsContact O-N 3.08Å; Q105-D109 PolarHBondContact NE2-OD1 2.92Å; Q105-D109 PolarHBondContact O-N 3.5Å; Q105-V179 HydrophobicContact CG-CG1 4.4Å; Q105-F182 HydrophobicContact CB-CE1 4.48Å; Q105-F182 HydrophobicContact CB-CZ 3.98Å; Q105-F182 HydrophobicContact CG-CE1 4.14Å; Q105-F182 HydrophobicContact CG-CE2 3.59Å; Q105-F182 HydrophobicContact CG-CZ 3.34Å |
| 106 | G | 95.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 8% | 0.082 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.8 | -33.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F102 L103 D109 T110 G159 | F102-G106 WeakPolarHBondContact O-CA 3.19Å; F102-G106 PolarHBondContact O-N 2.84Å; L103-G106 PolarHBondContact O-N 2.92Å; G106-D109 PolarHBondContact O-N 3.44Å; G106-T110 WeakPolarHBondContact O-CB 3.34Å; G106-T110 PolarHBondContact O-N 3.28Å; G106-T110 PolarHBondContact O-OG1 3.07Å; G106-G159 WeakPolarHBondContact CA-O 3.49Å |
| 107 | L | 96.3 | Very high | 94.1 | Very high | 41 Ų | 41 | 29 Ų | 29 | 22% | 0.215 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 172.4 | -71.1 | 172.6 | 0 | 0 | 0 | 111.8 | F77 A81 F84 L103 Q105 S111 | F77-L107 HydrophobicContact CE1-CD2 4.43Å; F77-L107 WeakPolarHBondContact CE1-O 3.42Å; F77-L107 HydrophobicContact CE2-CD2 4.08Å; F77-L107 HydrophobicContact CZ-CD2 3.54Å; A81-L107 HydrophobicContact CB-CB 3.74Å; F84-L107 HydrophobicContact CD1-CD1 4.04Å; F84-L107 HydrophobicContact CG-CD1 4.48Å; L103-L107 HydrophobicContact CD1-CD1 4.27Å; L103-L107 HydrophobicContact CD1-CD2 4.43Å; L103-L107 HydrophobicContact CD1-CG 4.14Å; L103-L107 HydrophobicContact CG-CD1 4.19Å; L103-L107 HydrophobicContact CG-CG 4.46Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 WeakPolarHBondContact O-CG 3.3Å; L103-L107 PolarHBondContact O-N 2.84Å; Q105-L107 VanDerWaalsContact C-N 3.3Å; Q105-L107 PolarHBondContact O-N 2.66Å; L107-S111 WeakPolarHBondContact O-CB 3.15Å; L107-S111 PolarHBondContact O-N 2.85Å |
| 108 | L | 94.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 6% | 0.063 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.7 | -48.9 | 176.3 | -62.9 | 168 | 0 | 0 | 0 | 110.6 | A81 Y82 L85 Q105 T110 S111 L112 | A81-L108 HydrophobicContact CB-CD2 3.96Å; Y82-L108 HydrophobicContact CD1-CD2 3.95Å; Y82-L108 HydrophobicContact CD2-CD2 4.19Å; Y82-L108 HydrophobicContact CE1-CD2 3.96Å; Y82-L108 HydrophobicContact CE2-CD2 4.18Å; Y82-L108 HydrophobicContact CG-CD2 4.06Å; L85-L108 HydrophobicContact CD1-CD1 4.26Å; L85-L108 HydrophobicContact CD2-CD1 3.92Å; L85-L108 HydrophobicContact CD2-CD2 4.38Å; L85-L108 HydrophobicContact CG-CD1 4.45Å; Q105-L108 WeakPolarHBondContact O-CB 3.32Å; Q105-L108 PolarHBondContact O-N 3.4Å; Q105-L108 VanDerWaalsContact O-N 3.08Å; L108-T110 VanDerWaalsContact C-N 3.32Å; L108-T110 PolarHBondContact O-N 2.98Å; L108-S111 PolarHBondContact O-N 3.13Å; L108-S111 VanDerWaalsContact O-N 3.13Å; L108-S111 PolarHBondContact O-OG 3.24Å; L108-L112 PolarHBondContact O-N 3.45Å |
| 109 | D | 94.2 | Very high | 93.5 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 6% | 0.064 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | -179.1 | -65.5 | -1.1 | 0 | 0 | 0 | 111.5 | Q105 G106 T113 F182 Y186 W190 | Q105-D109 PolarHBondContact NE2-OD1 2.92Å; Q105-D109 PolarHBondContact O-N 3.5Å; G106-D109 PolarHBondContact O-N 3.44Å; D109-T113 WeakPolarHBondContact O-CB 3.39Å; D109-T113 PolarHBondContact O-N 2.95Å; D109-T113 PolarHBondContact O-OG1 3.45Å; D109-F182 WeakPolarHBondContact OD2-CE2 3.23Å; D109-Y186 PolarHBondContact OD2-OH 3.44Å; D109-W190 HydrophobicContact CB-CH2 3.94Å; D109-W190 HydrophobicContact CB-CZ2 3.98Å |
| 110 | T | 95.5 | Very high | 93.1 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 172.9 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | F77 G106 L108 L112 T113 A114 A155 L156 | F77-T110 HydrophobicContact CE1-CG2 3.66Å; F77-T110 HydrophobicContact CZ-CG2 3.97Å; G106-T110 WeakPolarHBondContact O-CB 3.34Å; G106-T110 PolarHBondContact O-N 3.28Å; G106-T110 PolarHBondContact O-OG1 3.07Å; L108-T110 VanDerWaalsContact C-N 3.32Å; L108-T110 PolarHBondContact O-N 2.98Å; T110-L112 VanDerWaalsContact C-N 3.34Å; T110-L112 PolarHBondContact O-N 3.28Å; T110-T113 PolarHBondContact O-N 3.34Å; T110-A114 WeakPolarHBondContact O-CB 3.18Å; T110-A114 PolarHBondContact O-N 3.3Å; T110-A155 HydrophobicContact CG2-CB 4.04Å; T110-L156 HydrophobicContact CG2-CD1 3.76Å |
| 111 | S | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | -178.3 | 76.1 | 0 | 0 | 0 | 0 | 112.2 | L107 L108 A114 S115 | L107-S111 WeakPolarHBondContact O-CB 3.15Å; L107-S111 PolarHBondContact O-N 2.85Å; L108-S111 PolarHBondContact O-N 3.13Å; L108-S111 VanDerWaalsContact O-N 3.13Å; L108-S111 PolarHBondContact O-OG 3.24Å; S111-A114 PolarHBondContact O-N 2.88Å; S111-S115 PolarHBondContact O-N 3.43Å; S111-S115 PolarHBondContact O-OG 2.73Å |
| 112 | L | 92.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 19.2 Ų | 19.2 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.7 | -47.7 | 176.5 | 175.8 | 56.7 | 0 | 0 | 0 | 110.9 | L108 T110 A114 S115 V116 W190 F247 W251 | L108-L112 PolarHBondContact O-N 3.45Å; T110-L112 VanDerWaalsContact C-N 3.34Å; T110-L112 PolarHBondContact O-N 3.28Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-A114 PolarHBondContact O-N 3.39Å; L112-S115 PolarHBondContact O-N 3.31Å; L112-V116 HydrophobicContact CD1-CG2 3.91Å; L112-V116 HydrophobicContact CG-CG2 4.38Å; L112-V116 VanDerWaalsContact O-CG2 3.32Å; L112-V116 WeakPolarHBondContact O-CG2 3.27Å; L112-V116 PolarHBondContact O-N 3.33Å; L112-W190 HydrophobicContact CD2-CZ2 4.18Å; L112-F247 HydrophobicContact CD1-CZ 3.86Å; L112-W251 HydrophobicContact CB-CH2 4.17Å; L112-W251 HydrophobicContact CB-CZ3 4.34Å; L112-W251 HydrophobicContact CD1-CD2 3.64Å; L112-W251 HydrophobicContact CD1-CE3 3.57Å; L112-W251 HydrophobicContact CD1-CG 4.35Å; L112-W251 HydrophobicContact CD1-CH2 3.79Å; L112-W251 HydrophobicContact CD1-CZ2 3.85Å; L112-W251 HydrophobicContact CD1-CZ3 3.66Å; L112-W251 HydrophobicContact CD2-CE3 3.94Å; L112-W251 HydrophobicContact CD2-CH2 4.34Å; L112-W251 HydrophobicContact CD2-CZ3 3.68Å; L112-W251 HydrophobicContact CG-CE3 4.35Å; L112-W251 HydrophobicContact CG-CH2 4.32Å; L112-W251 HydrophobicContact CG-CZ3 4.1Å |
| 113 | T | 93.7 | Very high | 91.1 | Very high | 18 Ų | 18 | 18.4 Ų | 18.4 | 11% | 0.11 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | -179.8 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | D109 T110 S115 V116 A117 A155 L158 W190 | D109-T113 WeakPolarHBondContact O-CB 3.39Å; D109-T113 PolarHBondContact O-N 2.95Å; D109-T113 PolarHBondContact O-OG1 3.45Å; T110-T113 PolarHBondContact O-N 3.34Å; T113-S115 VanDerWaalsContact C-N 3.33Å; T113-S115 PolarHBondContact O-N 2.86Å; T113-V116 PolarHBondContact O-N 2.87Å; T113-A117 VanDerWaalsContact O-CB 3.25Å; T113-A117 WeakPolarHBondContact O-CB 3.46Å; T113-A117 PolarHBondContact O-N 3.35Å; T113-A155 HydrophobicContact CG2-CB 4.05Å; T113-L158 HydrophobicContact CG2-CB 4.31Å; T113-L158 HydrophobicContact CG2-CD1 3.64Å; T113-W190 WeakPolarHBondContact OG1-CH2 3.43Å |
| 114 | A | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | A74 T110 S111 L112 T118 V151 W152 A155 | A74-A114 HydrophobicContact CB-CB 4.05Å; T110-A114 WeakPolarHBondContact O-CB 3.18Å; T110-A114 PolarHBondContact O-N 3.3Å; S111-A114 PolarHBondContact O-N 2.88Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-A114 PolarHBondContact O-N 3.39Å; A114-T118 VanDerWaalsContact O-CB 3.25Å; A114-T118 WeakPolarHBondContact O-CB 3.39Å; A114-T118 PolarHBondContact O-N 3.48Å; A114-T118 PolarHBondContact O-OG1 3.48Å; A114-V151 HydrophobicContact CB-CG1 4.44Å; A114-W152 HydrophobicContact CB-CE3 4.39Å; A114-W152 HydrophobicContact CB-CH2 4.44Å; A114-W152 HydrophobicContact CB-CZ3 4.23Å; A114-A155 HydrophobicContact CB-CB 3.87Å |
| 115 | S | 92.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 16.1 Ų | 16.1 | 4% | 0.035 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.5 | -47.3 | 176.7 | -69.4 | 0 | 0 | 0 | 0 | 112.3 | S111 L112 T113 A117 T118 L119 | S111-S115 PolarHBondContact O-N 3.43Å; S111-S115 PolarHBondContact O-OG 2.73Å; L112-S115 PolarHBondContact O-N 3.31Å; T113-S115 VanDerWaalsContact C-N 3.33Å; T113-S115 PolarHBondContact O-N 2.86Å; S115-A117 PolarHBondContact O-N 2.89Å; S115-T118 PolarHBondContact O-N 3.49Å; S115-L119 WeakPolarHBondContact O-CB 3Å; S115-L119 VanDerWaalsContact O-CG 3.23Å; S115-L119 WeakPolarHBondContact O-CG 3.44Å; S115-L119 PolarHBondContact O-N 2.87Å |
| 116 | V | 90.8 | Very high | 88.5 | Confident | 16 Ų | 16 | 16.7 Ų | 16.7 | 10% | 0.097 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60 | -48.3 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | L112 T113 T118 L119 L120 V197 F198 F247 | L112-V116 HydrophobicContact CD1-CG2 3.91Å; L112-V116 HydrophobicContact CG-CG2 4.38Å; L112-V116 VanDerWaalsContact O-CG2 3.32Å; L112-V116 WeakPolarHBondContact O-CG2 3.27Å; L112-V116 PolarHBondContact O-N 3.33Å; T113-V116 PolarHBondContact O-N 2.87Å; V116-T118 VanDerWaalsContact C-N 3.34Å; V116-T118 PolarHBondContact O-N 3.47Å; V116-L119 PolarHBondContact O-N 3.13Å; V116-L120 WeakPolarHBondContact O-CB 3.5Å; V116-L120 PolarHBondContact O-N 3.46Å; V116-V197 HydrophobicContact CG1-CB 4.32Å; V116-V197 HydrophobicContact CG1-CG1 3.5Å; V116-F198 HydrophobicContact CG2-CE1 3.89Å; V116-F247 HydrophobicContact CG2-CE1 3.82Å; V116-F247 HydrophobicContact CG2-CZ 3.54Å |
| 117 | A | 90.9 | Very high | 87.5 | Confident | 26 Ų | 26 | 18.5 Ų | 18.5 | 22% | 0.215 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.8 | -37.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | T113 S115 L120 A121 V151 | T113-A117 VanDerWaalsContact O-CB 3.25Å; T113-A117 WeakPolarHBondContact O-CB 3.46Å; T113-A117 PolarHBondContact O-N 3.35Å; S115-A117 PolarHBondContact O-N 2.89Å; A117-L120 PolarHBondContact O-N 3.39Å; A117-A121 WeakPolarHBondContact O-CB 3.2Å; A117-A121 PolarHBondContact O-N 3.29Å; A117-V151 HydrophobicContact CB-CB 4.43Å; A117-V151 HydrophobicContact CB-CG1 3.95Å; A117-V151 HydrophobicContact CB-CG2 3.95Å |
| 118 | T | 89.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65 | -44.7 | 173.6 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | N70 L71 A114 S115 V116 L120 A121 I122 | N70-T118 HydrophobicContact CB-CG2 4.44Å; N70-T118 PolarHBondContact ND2-OG1 2.88Å; L71-T118 HydrophobicContact CB-CG2 3.92Å; L71-T118 HydrophobicContact CD1-CG2 4.26Å; A114-T118 VanDerWaalsContact O-CB 3.25Å; A114-T118 WeakPolarHBondContact O-CB 3.39Å; A114-T118 PolarHBondContact O-N 3.48Å; A114-T118 PolarHBondContact O-OG1 3.48Å; S115-T118 PolarHBondContact O-N 3.49Å; V116-T118 VanDerWaalsContact C-N 3.34Å; V116-T118 PolarHBondContact O-N 3.47Å; T118-L120 VanDerWaalsContact C-N 3.34Å; T118-L120 PolarHBondContact O-N 3.09Å; T118-A121 WeakPolarHBondContact O-CB 3.36Å; T118-A121 PolarHBondContact O-N 3.38Å; T118-I122 HydrophobicContact CG2-CD1 4.02Å; T118-I122 VanDerWaalsContact O-CG1 3.28Å; T118-I122 WeakPolarHBondContact O-CG1 3.21Å; T118-I122 PolarHBondContact O-N 3Å |
| 119 | L | 85 | Confident | 85.2 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 177.4 | -74.8 | 174.5 | 0 | 0 | 0 | 112.4 | L71 S115 V116 I122 A123 M201 I243 L244 F247 | L71-L119 HydrophobicContact CD1-CD2 4.15Å; L71-L119 HydrophobicContact CD1-CG 4.11Å; L71-L119 HydrophobicContact CD2-CD2 3.85Å; S115-L119 WeakPolarHBondContact O-CB 3Å; S115-L119 VanDerWaalsContact O-CG 3.23Å; S115-L119 WeakPolarHBondContact O-CG 3.44Å; S115-L119 PolarHBondContact O-N 2.87Å; V116-L119 PolarHBondContact O-N 3.13Å; L119-I122 PolarHBondContact O-N 3.4Å; L119-A123 WeakPolarHBondContact O-CB 3.33Å; L119-A123 PolarHBondContact O-N 3.12Å; L119-M201 HydrophobicContact CB-SD 3.97Å; L119-I243 HydrophobicContact CD2-CG2 4.08Å; L119-L244 HydrophobicContact CB-CD2 3.74Å; L119-L244 HydrophobicContact CD1-CD2 4.23Å; L119-L244 HydrophobicContact CD2-CD2 3.74Å; L119-L244 HydrophobicContact CD2-CG 4.02Å; L119-L244 HydrophobicContact CG-CD2 4.1Å; L119-F247 HydrophobicContact CD1-CB 4.01Å; L119-F247 HydrophobicContact CD1-CD1 3.78Å; L119-F247 HydrophobicContact CD1-CD2 3.38Å; L119-F247 HydrophobicContact CD1-CE1 4.08Å; L119-F247 HydrophobicContact CD1-CE2 3.75Å; L119-F247 HydrophobicContact CD1-CG 3.43Å; L119-F247 VanDerWaalsContact CD1-CG 3.43Å; L119-F247 HydrophobicContact CD1-CZ 4.1Å |
| 120 | L | 85.2 | Confident | 83.9 | Confident | 54 Ų | 54 | 25.5 Ų | 25.5 | 28% | 0.283 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 173.1 | -176.5 | 63.1 | 0 | 0 | 0 | 111.3 | V116 A117 T118 I122 A123 V124 L200 M201 | V116-L120 WeakPolarHBondContact O-CB 3.5Å; V116-L120 PolarHBondContact O-N 3.46Å; A117-L120 PolarHBondContact O-N 3.39Å; T118-L120 VanDerWaalsContact C-N 3.34Å; T118-L120 PolarHBondContact O-N 3.09Å; L120-I122 VanDerWaalsContact C-N 3.34Å; L120-I122 PolarHBondContact O-N 2.94Å; L120-A123 WeakPolarHBondContact O-CB 3.35Å; L120-A123 PolarHBondContact O-N 3.34Å; L120-A123 VanDerWaalsContact O-N 3.14Å; L120-V124 WeakPolarHBondContact O-CG2 3.49Å; L120-V124 PolarHBondContact O-N 2.98Å; L120-L200 HydrophobicContact CD1-CD2 4.29Å; L120-M201 HydrophobicContact CD1-CG 4.41Å |
| 121 | A | 83.7 | Confident | 82.6 | Confident | 24 Ų | 24 | 28 Ų | 28 | 20% | 0.198 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A117 T118 A123 V124 E125 | A117-A121 WeakPolarHBondContact O-CB 3.2Å; A117-A121 PolarHBondContact O-N 3.29Å; T118-A121 WeakPolarHBondContact O-CB 3.36Å; T118-A121 PolarHBondContact O-N 3.38Å; A121-A123 VanDerWaalsContact C-N 3.34Å; A121-V124 PolarHBondContact O-N 2.89Å; A121-E125 WeakPolarHBondContact O-CB 3Å; A121-E125 PolarHBondContact O-N 3Å |
| 122 | I | 81.6 | Confident | 81 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 172.5 | -67.9 | 165.2 | 0 | 0 | 0 | 110.1 | L67 L71 T118 L119 L120 V124 E125 R126 V240 | L67-I122 HydrophobicContact CB-CD1 4.42Å; L67-I122 HydrophobicContact CB-CG1 3.94Å; L67-I122 HydrophobicContact CD1-CG1 4.37Å; L71-I122 HydrophobicContact CD2-CD1 4.34Å; T118-I122 HydrophobicContact CG2-CD1 4.02Å; T118-I122 VanDerWaalsContact O-CG1 3.28Å; T118-I122 WeakPolarHBondContact O-CG1 3.21Å; T118-I122 PolarHBondContact O-N 3Å; L119-I122 PolarHBondContact O-N 3.4Å; L120-I122 VanDerWaalsContact C-N 3.34Å; L120-I122 PolarHBondContact O-N 2.94Å; I122-V124 PolarHBondContact O-N 2.77Å; I122-E125 PolarHBondContact O-N 2.91Å; I122-R126 HydrophobicContact CG2-CG 4.26Å; I122-R126 WeakPolarHBondContact O-CB 3.27Å; I122-R126 VanDerWaalsContact O-CG 3.28Å; I122-R126 WeakPolarHBondContact O-CG 3.36Å; I122-R126 PolarHBondContact O-N 3.36Å; I122-V240 HydrophobicContact CG2-CG1 4.42Å |
| 123 | A | 78.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L119 L120 A121 R126 H127 Y205 | L119-A123 WeakPolarHBondContact O-CB 3.33Å; L119-A123 PolarHBondContact O-N 3.12Å; L120-A123 WeakPolarHBondContact O-CB 3.35Å; L120-A123 PolarHBondContact O-N 3.34Å; L120-A123 VanDerWaalsContact O-N 3.14Å; A121-A123 VanDerWaalsContact C-N 3.34Å; A123-R126 PolarHBondContact O-N 3.48Å; A123-H127 WeakPolarHBondContact O-CB 3.46Å; A123-H127 PolarHBondContact O-N 3.29Å; A123-Y205 WeakPolarHBondContact CA-OH 3.43Å; A123-Y205 HydrophobicContact CB-CE2 3.73Å; A123-Y205 WeakPolarHBondContact CB-OH 3.24Å; A123-Y205 PolarHBondContact N-OH 3.01Å |
| 124 | V | 79 | Confident | 77.8 | Confident | 54 Ų | 54 | 36.6 Ų | 36.6 | 33% | 0.327 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 111 | L120 A121 I122 H127 R128 | L120-V124 WeakPolarHBondContact O-CG2 3.49Å; L120-V124 PolarHBondContact O-N 2.98Å; A121-V124 PolarHBondContact O-N 2.89Å; I122-V124 PolarHBondContact O-N 2.77Å; V124-H127 PolarHBondContact O-N 3.47Å; V124-R128 VanDerWaalsContact CG1-NH1 3.27Å; V124-R128 WeakPolarHBondContact O-CG 3.47Å; V124-R128 PolarHBondContact O-N 2.96Å |
| 125 | E | 77.8 | Confident | 75.8 | Confident | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.4 | -51.9 | 173.1 | -179.5 | -167.1 | -162.2 | 0 | 0 | 110.3 | I64 L67 A121 I122 H127 R128 S129 S137 L139 | I64-E125 WeakPolarHBondContact CD1-OE2 3.32Å; L67-E125 VanDerWaalsContact CD1-OE2 3.24Å; L67-E125 WeakPolarHBondContact CD1-OE2 3.34Å; A121-E125 WeakPolarHBondContact O-CB 3Å; A121-E125 PolarHBondContact O-N 3Å; I122-E125 PolarHBondContact O-N 2.91Å; E125-H127 VanDerWaalsContact C-N 3.33Å; E125-H127 PolarHBondContact O-N 3.35Å; E125-R128 PolarHBondContact O-N 3.35Å; E125-R128 VanDerWaalsContact O-N 3.1Å; E125-S129 PolarHBondContact O-N 2.9Å; E125-S129 PolarHBondContact O-OG 3.36Å; E125-S137 WeakPolarHBondContact OE1-CB 3.37Å; E125-S137 PolarHBondContact OE1-OG 3.43Å; E125-L139 HydrophobicContact CB-CD1 4.34Å; E125-L139 HydrophobicContact CG-CD1 3.7Å |
| 126 | R | 73.3 | Confident | 73.9 | Confident | 47 Ų | 47 | 45.9 Ų | 45.9 | 18% | 0.177 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | -178.2 | -71 | -39.6 | -168.4 | -179.6 | 12 | 112.2 | I122 A123 R128 S129 V130 I208 V240 | I122-R126 HydrophobicContact CG2-CG 4.26Å; I122-R126 WeakPolarHBondContact O-CB 3.27Å; I122-R126 VanDerWaalsContact O-CG 3.28Å; I122-R126 WeakPolarHBondContact O-CG 3.36Å; I122-R126 PolarHBondContact O-N 3.36Å; A123-R126 PolarHBondContact O-N 3.48Å; R126-R128 VanDerWaalsContact C-N 3.32Å; R126-R128 PolarHBondContact O-N 3.5Å; R126-S129 PolarHBondContact O-N 3.19Å; R126-V130 WeakPolarHBondContact O-CB 3.32Å; R126-V130 WeakPolarHBondContact O-CG2 3.24Å; R126-V130 PolarHBondContact O-N 3.23Å; R126-I208 HydrophobicContact CB-CD1 4.41Å; R126-V240 HydrophobicContact CG-CG1 4.47Å |
| 127 | H | 75.2 | Confident | 72.2 | Confident | 47 Ų | 47 | 46.3 Ų | 46.3 | 22% | 0.218 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.2 | -49.3 | 173.9 | -176.8 | -92.6 | 0 | 0 | 0 | 110.7 | A123 V124 E125 M131 V204 I208 | A123-H127 WeakPolarHBondContact O-CB 3.46Å; A123-H127 PolarHBondContact O-N 3.29Å; V124-H127 PolarHBondContact O-N 3.47Å; E125-H127 VanDerWaalsContact C-N 3.33Å; E125-H127 PolarHBondContact O-N 3.35Å; H127-M131 WeakPolarHBondContact O-CB 3.49Å; H127-M131 WeakPolarHBondContact O-CG 3.28Å; H127-M131 PolarHBondContact O-N 3.04Å; H127-V204 HydrophobicContact CB-CG1 4.25Å; H127-I208 HydrophobicContact CB-CD1 4.1Å |
| 128 | R | 73.4 | Confident | 70.9 | Confident | 171 Ų | 171 | 55 Ų | 55 | 65% | 0.645 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.8 | -47.8 | 179.6 | -71.8 | -179.4 | -178.1 | 137.7 | 1.7 | 112.8 | V124 E125 R126 V130 M131 A132 | V124-R128 VanDerWaalsContact CG1-NH1 3.27Å; V124-R128 WeakPolarHBondContact O-CG 3.47Å; V124-R128 PolarHBondContact O-N 2.96Å; E125-R128 PolarHBondContact O-N 3.35Å; E125-R128 VanDerWaalsContact O-N 3.1Å; R126-R128 VanDerWaalsContact C-N 3.32Å; R126-R128 PolarHBondContact O-N 3.5Å; R128-V130 PolarHBondContact O-N 3.47Å; R128-M131 PolarHBondContact O-N 3.44Å; R128-A132 WeakPolarHBondContact O-CB 3.49Å; R128-A132 PolarHBondContact O-N 2.96Å |
| 129 | S | 68.9 | Low | 69.7 | Low | 16 Ų | 16 | 56.9 Ų | 56.9 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | -178.6 | -59 | 0 | 0 | 0 | 0 | 112.6 | E125 R126 A132 V133 Q134 | E125-S129 PolarHBondContact O-N 2.9Å; E125-S129 PolarHBondContact O-OG 3.36Å; R126-S129 PolarHBondContact O-N 3.19Å; S129-A132 PolarHBondContact O-N 2.95Å; S129-V133 PolarHBondContact O-N 3.48Å; S129-Q134 PolarHBondContact O-N 3.32Å |
| 130 | V | 67.4 | Low | 69.3 | Low | 25 Ų | 25 | 59.6 Ų | 59.6 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 179.6 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | R126 R128 A132 V133 I208 Y211 V212 | R126-V130 WeakPolarHBondContact O-CB 3.32Å; R126-V130 WeakPolarHBondContact O-CG2 3.24Å; R126-V130 PolarHBondContact O-N 3.23Å; R128-V130 PolarHBondContact O-N 3.47Å; V130-A132 VanDerWaalsContact C-N 3.34Å; V130-V133 PolarHBondContact O-N 3.36Å; V130-I208 HydrophobicContact CG1-CG2 4.47Å; V130-I208 HydrophobicContact CG2-CG2 4.41Å; V130-Y211 HydrophobicContact CG1-CD1 3.8Å; V130-Y211 HydrophobicContact CG1-CE1 3.91Å; V130-V212 HydrophobicContact CG1-CG2 3.66Å |
| 131 | M | 67.9 | Low | 68.9 | Low | 59 Ų | 59 | 65.4 Ų | 65.4 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.3 | -34.9 | 175.9 | -67.4 | -54.9 | 95.8 | 0 | 0 | 112.2 | H127 R128 V133 Y211 | H127-M131 WeakPolarHBondContact O-CB 3.49Å; H127-M131 WeakPolarHBondContact O-CG 3.28Å; H127-M131 PolarHBondContact O-N 3.04Å; R128-M131 PolarHBondContact O-N 3.44Å; M131-V133 VanDerWaalsContact C-N 3.28Å; M131-V133 PolarHBondContact O-N 2.89Å; M131-Y211 HydrophobicContact CE-CD1 3.22Å; M131-Y211 HydrophobicContact CE-CD2 3.74Å; M131-Y211 HydrophobicContact CE-CE1 3.37Å; M131-Y211 HydrophobicContact CE-CE2 3.87Å; M131-Y211 HydrophobicContact CE-CG 3.41Å; M131-Y211 VanDerWaalsContact CE-CG 3.41Å; M131-Y211 HydrophobicContact SD-CD2 4.16Å; M131-Y211 HydrophobicContact SD-CE1 4.41Å; M131-Y211 HydrophobicContact SD-CE2 4.01Å; M131-Y211 HydrophobicContact SD-CG 4.41Å |
| 132 | A | 59.9 | Low | 68.7 | Low | 50 Ų | 50 | 66.6 Ų | 66.6 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 1.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R128 S129 V130 Q134 | R128-A132 WeakPolarHBondContact O-CB 3.49Å; R128-A132 PolarHBondContact O-N 2.96Å; S129-A132 PolarHBondContact O-N 2.95Å; V130-A132 VanDerWaalsContact C-N 3.34Å; A132-Q134 PolarHBondContact O-N 2.84Å |
| 133 | V | 62 | Low | 68.8 | Low | 76 Ų | 76 | 74.3 Ų | 74.3 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 22.2 | -177.8 | -162.2 | 0 | 0 | 0 | 0 | 113 | S129 V130 M131 | S129-V133 PolarHBondContact O-N 3.48Å; V130-V133 PolarHBondContact O-N 3.36Å; M131-V133 VanDerWaalsContact C-N 3.28Å; M131-V133 PolarHBondContact O-N 2.89Å |
| 134 | Q | 57.4 | Low | 69 | Low | 81 Ų | 81 | 74.5 Ų | 74.5 | 38% | 0.379 | 36% | 0.361 | S | S | . | . | trans | -101.1 | 112.6 | -177.3 | -80.2 | 164.9 | -9.5 | 0 | 0 | 109.1 | S129 A132 H136 | S129-Q134 PolarHBondContact O-N 3.32Å; A132-Q134 PolarHBondContact O-N 2.84Å; Q134-H136 PolarHBondContact O-N 3.49Å | ||
| 135 | L | 51.9 | Low | 69.3 | Low | 93 Ų | 93 | 76.1 Ų | 76.1 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -63.4 | -25.1 | 177.5 | -165.6 | 65.3 | 0 | 0 | 0 | 112.1 | Y229 | L135-Y229 HydrophobicContact CB-CE2 4.48Å; L135-Y229 HydrophobicContact CD1-CD2 4.24Å; L135-Y229 HydrophobicContact CD1-CE2 3.53Å; L135-Y229 HydrophobicContact CD2-CD2 4.26Å; L135-Y229 HydrophobicContact CD2-CE2 3.96Å; L135-Y229 HydrophobicContact CG-CE2 4.18Å |
| 136 | H | 53.4 | Low | 69.7 | Low | 107 Ų | 107 | 80.5 Ų | 80.5 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -120.4 | 125 | 178.1 | -71.9 | 82.7 | 0 | 0 | 0 | 110.6 | Q62 Q134 R138 | Q62-H136 PolarHBondContact NE2-CD2 2.88Å; Q62-H136 VanDerWaalsContact NE2-CD2 3.3Å; Q62-H136 PolarHBondContact NE2-NE2 2.97Å; Q134-H136 PolarHBondContact O-N 3.49Å; H136-R138 PolarHBondContact O-N 2.98Å |
| 137 | S | 55.2 | Low | 70.4 | Confident | 26 Ų | 26 | 82.3 Ų | 82.3 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | trans | -59.6 | 119.7 | 175.4 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | E125 L139 | E125-S137 WeakPolarHBondContact OE1-CB 3.37Å; E125-S137 PolarHBondContact OE1-OG 3.43Å; S137-L139 PolarHBondContact O-N 3.27Å; S137-L139 WeakPolarHBondContact OG-CD1 3.39Å | ||
| 138 | R | 62.2 | Low | 71.2 | Confident | 207 Ų | 207 | 81.7 Ų | 81.7 | 78% | 0.781 | 41% | 0.409 | S | S | * | . | trans | -85.5 | 28.9 | 171.7 | -67.5 | -169.1 | -179.9 | -170.1 | 1.7 | 112.2 | H136 P140 | H136-R138 PolarHBondContact O-N 2.98Å; R138-P140 VanDerWaalsContact O-CD 3.23Å; R138-P140 WeakPolarHBondContact O-CD 3.42Å | ||
| 139 | L | 65.6 | Low | 72.1 | Confident | 42 Ų | 42 | 77.6 Ų | 77.6 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | trans | -68.3 | 115.6 | 173.4 | -88.1 | 159.6 | 0 | 0 | 0 | 108.7 | P63 E125 S137 R141 R143 V144 | P63-L139 HydrophobicContact CB-CB 4.17Å; P63-L139 HydrophobicContact CG-CB 4.45Å; E125-L139 HydrophobicContact CB-CD1 4.34Å; E125-L139 HydrophobicContact CG-CD1 3.7Å; S137-L139 PolarHBondContact O-N 3.27Å; S137-L139 WeakPolarHBondContact OG-CD1 3.39Å; L139-R141 PolarHBondContact O-N 2.97Å; L139-R143 HydrophobicContact CD2-CB 4.47Å; L139-V144 HydrophobicContact CB-CG2 3.91Å | ||
| 140 | P | 75.9 | Confident | 73.3 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | trans | -63.7 | 139.7 | 175.3 | 27.2 | -32.9 | 0 | 0 | 0 | 108.6 | R138 G142 R143 V144 | R138-P140 VanDerWaalsContact O-CD 3.23Å; R138-P140 WeakPolarHBondContact O-CD 3.42Å; P140-G142 PolarHBondContact O-N 3.34Å; P140-G142 VanDerWaalsContact O-N 3.1Å; P140-R143 HydrophobicContact CG-CB 4.04Å; P140-R143 HydrophobicContact CG-CG 3.75Å; P140-R143 PolarHBondContact O-N 3.28Å; P140-V144 PolarHBondContact O-N 2.86Å | ||
| 141 | R | 76.3 | Confident | 74.5 | Confident | 175 Ų | 175 | 78.3 Ų | 78.3 | 66% | 0.66 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -50.3 | -40.5 | -175.8 | -67.3 | -179.7 | -178.9 | 167 | 0.2 | 112.5 | L139 R143 V144 V145 | L139-R141 PolarHBondContact O-N 2.97Å; R141-R143 PolarHBondContact O-N 3.49Å; R141-V144 PolarHBondContact O-N 2.94Å; R141-V144 VanDerWaalsContact O-N 3.16Å; R141-V145 PolarHBondContact O-N 3.44Å; R141-V145 VanDerWaalsContact O-N 3.08Å |
| 142 | G | 80.1 | Confident | 75.9 | Confident | 49 Ų | 49 | 78.4 Ų | 78.4 | 51% | 0.505 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P140 V144 V145 T146 | P140-G142 PolarHBondContact O-N 3.34Å; P140-G142 VanDerWaalsContact O-N 3.1Å; G142-V144 VanDerWaalsContact C-N 3.34Å; G142-V144 PolarHBondContact O-N 3.2Å; G142-V145 PolarHBondContact O-N 2.9Å; G142-T146 PolarHBondContact O-N 3.44Å; G142-T146 PolarHBondContact O-OG1 3.01Å |
| 143 | R | 83 | Confident | 77.6 | Confident | 168 Ų | 168 | 80.8 Ų | 80.8 | 63% | 0.634 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.4 | -36 | 177.8 | -74 | -175.9 | -174 | 153.4 | -0.1 | 112.3 | L139 P140 R141 T146 L147 | L139-R143 HydrophobicContact CD2-CB 4.47Å; P140-R143 HydrophobicContact CG-CB 4.04Å; P140-R143 HydrophobicContact CG-CG 3.75Å; P140-R143 PolarHBondContact O-N 3.28Å; R141-R143 PolarHBondContact O-N 3.49Å; R143-T146 PolarHBondContact O-N 3.16Å; R143-L147 WeakPolarHBondContact O-CB 3.31Å; R143-L147 VanDerWaalsContact O-CG 3.25Å; R143-L147 WeakPolarHBondContact O-CG 3.45Å; R143-L147 PolarHBondContact O-N 3.07Å |
| 144 | V | 82.6 | Confident | 79.1 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 2% | 0.024 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 177 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | P63 L67 L139 P140 R141 G142 L147 I148 | P63-V144 HydrophobicContact CB-CG2 4.2Å; L67-V144 HydrophobicContact CD2-CG1 4.35Å; L67-V144 HydrophobicContact CG-CG1 4.32Å; L139-V144 HydrophobicContact CB-CG2 3.91Å; P140-V144 PolarHBondContact O-N 2.86Å; R141-V144 PolarHBondContact O-N 2.94Å; R141-V144 VanDerWaalsContact O-N 3.16Å; G142-V144 VanDerWaalsContact C-N 3.34Å; G142-V144 PolarHBondContact O-N 3.2Å; V144-L147 PolarHBondContact O-N 3.31Å; V144-I148 HydrophobicContact CG1-CD1 4.01Å; V144-I148 WeakPolarHBondContact O-CG1 3.36Å; V144-I148 PolarHBondContact O-N 2.98Å |
| 145 | V | 85.6 | Confident | 80.9 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 53% | 0.533 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.3 | 176 | 0 | 0 | 0 | 0 | 111 | R141 G142 L147 I148 V149 | R141-V145 PolarHBondContact O-N 3.44Å; R141-V145 VanDerWaalsContact O-N 3.08Å; G142-V145 PolarHBondContact O-N 2.9Å; V145-L147 VanDerWaalsContact C-N 3.31Å; V145-L147 PolarHBondContact O-N 3.24Å; V145-I148 PolarHBondContact O-N 3.47Å; V145-V149 HydrophobicContact CG1-CG2 4.46Å; V145-V149 WeakPolarHBondContact O-CG2 3.25Å; V145-V149 PolarHBondContact O-N 3.37Å |
| 146 | T | 87.4 | Confident | 83 | Confident | 100 Ų | 100 | 75.2 Ų | 75.2 | 61% | 0.613 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.8 | -41 | 176.1 | -53 | 0 | 0 | 0 | 0 | 112.1 | G142 R143 V149 G150 | G142-T146 PolarHBondContact O-N 3.44Å; G142-T146 PolarHBondContact O-OG1 3.01Å; R143-T146 PolarHBondContact O-N 3.16Å; T146-V149 PolarHBondContact O-N 2.86Å; T146-G150 PolarHBondContact O-N 3.2Å |
| 147 | L | 87.7 | Confident | 85 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 44% | 0.44 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 175.4 | -75 | 169 | 0 | 0 | 0 | 111.6 | R143 V144 V145 G150 V151 | R143-L147 WeakPolarHBondContact O-CB 3.31Å; R143-L147 VanDerWaalsContact O-CG 3.25Å; R143-L147 WeakPolarHBondContact O-CG 3.45Å; R143-L147 PolarHBondContact O-N 3.07Å; V144-L147 PolarHBondContact O-N 3.31Å; V145-L147 VanDerWaalsContact C-N 3.31Å; V145-L147 PolarHBondContact O-N 3.24Å; L147-G150 PolarHBondContact O-N 3.49Å; L147-V151 VanDerWaalsContact O-CG2 3.3Å; L147-V151 WeakPolarHBondContact O-CG2 3.22Å; L147-V151 PolarHBondContact O-N 3.03Å |
| 148 | I | 90.7 | Very high | 86.8 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 17% | 0.174 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60 | -49.2 | 177.4 | -71.8 | 168.5 | 0 | 0 | 0 | 110.5 | N70 V144 V145 G150 V151 W152 | N70-I148 HydrophobicContact CB-CD1 4.1Å; N70-I148 HydrophobicContact CB-CG1 4.08Å; N70-I148 VanDerWaalsContact OD1-CG2 3.29Å; N70-I148 WeakPolarHBondContact OD1-CG2 3.33Å; V144-I148 HydrophobicContact CG1-CD1 4.01Å; V144-I148 WeakPolarHBondContact O-CG1 3.36Å; V144-I148 PolarHBondContact O-N 2.98Å; V145-I148 PolarHBondContact O-N 3.47Å; I148-G150 VanDerWaalsContact C-N 3.32Å; I148-G150 PolarHBondContact O-N 2.99Å; I148-V151 WeakPolarHBondContact O-CB 3.49Å; I148-V151 PolarHBondContact O-N 3.47Å; I148-W152 PolarHBondContact O-N 3.11Å; I148-W152 VanDerWaalsContact O-N 3.08Å |
| 149 | V | 93 | Very high | 88.3 | Confident | 85 Ų | 85 | 64.8 Ų | 64.8 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | V145 T146 V151 W152 V153 | V145-V149 HydrophobicContact CG1-CG2 4.46Å; V145-V149 WeakPolarHBondContact O-CG2 3.25Å; V145-V149 PolarHBondContact O-N 3.37Å; T146-V149 PolarHBondContact O-N 2.86Å; V149-V151 VanDerWaalsContact C-N 3.33Å; V149-V151 PolarHBondContact O-N 3.24Å; V149-W152 PolarHBondContact O-N 3.38Å; V149-V153 HydrophobicContact CG1-CG2 4.28Å; V149-V153 WeakPolarHBondContact O-CG2 3.44Å; V149-V153 PolarHBondContact O-N 3Å |
| 150 | G | 93 | Very high | 89.7 | Confident | 39 Ų | 39 | 67.1 Ų | 67.1 | 40% | 0.402 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T146 L147 I148 V153 A154 | T146-G150 PolarHBondContact O-N 3.2Å; L147-G150 PolarHBondContact O-N 3.49Å; I148-G150 VanDerWaalsContact C-N 3.32Å; I148-G150 PolarHBondContact O-N 2.99Å; G150-V153 PolarHBondContact O-N 3.05Å; G150-A154 VanDerWaalsContact O-CB 3.3Å; G150-A154 WeakPolarHBondContact O-CB 3.33Å; G150-A154 PolarHBondContact O-N 3.44Å |
| 151 | V | 93.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 66.3 Ų | 66.3 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 174.9 | 163.9 | 0 | 0 | 0 | 0 | 111 | A114 A117 L147 I148 V149 A154 A155 | A114-V151 HydrophobicContact CB-CG1 4.44Å; A117-V151 HydrophobicContact CB-CB 4.43Å; A117-V151 HydrophobicContact CB-CG1 3.95Å; A117-V151 HydrophobicContact CB-CG2 3.95Å; L147-V151 VanDerWaalsContact O-CG2 3.3Å; L147-V151 WeakPolarHBondContact O-CG2 3.22Å; L147-V151 PolarHBondContact O-N 3.03Å; I148-V151 WeakPolarHBondContact O-CB 3.49Å; I148-V151 PolarHBondContact O-N 3.47Å; V149-V151 VanDerWaalsContact C-N 3.33Å; V149-V151 PolarHBondContact O-N 3.24Å; V151-A154 PolarHBondContact O-N 2.96Å; V151-A155 VanDerWaalsContact O-CB 3.24Å; V151-A155 WeakPolarHBondContact O-CB 3.43Å; V151-A155 PolarHBondContact O-N 2.88Å |
| 152 | W | 96.3 | Very high | 91.3 | Very high | 61 Ų | 61 | 58 Ų | 58 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | -178.8 | -75 | 104.8 | 0 | 0 | 0 | 112.8 | N70 A73 A74 F77 A114 I148 V149 A155 L156 | N70-W152 PolarHBondContact OD1-NE1 3.39Å; A73-W152 HydrophobicContact CB-CZ2 4.33Å; A74-W152 HydrophobicContact CB-CH2 4.46Å; A74-W152 HydrophobicContact CB-CZ2 4.45Å; F77-W152 HydrophobicContact CB-CH2 3.97Å; F77-W152 HydrophobicContact CB-CZ3 4.36Å; F77-W152 HydrophobicContact CD1-CZ3 4.31Å; F77-W152 HydrophobicContact CD2-CZ3 4.47Å; F77-W152 HydrophobicContact CG-CH2 4.24Å; F77-W152 HydrophobicContact CG-CZ3 4.13Å; A114-W152 HydrophobicContact CB-CE3 4.39Å; A114-W152 HydrophobicContact CB-CH2 4.44Å; A114-W152 HydrophobicContact CB-CZ3 4.23Å; I148-W152 PolarHBondContact O-N 3.11Å; I148-W152 VanDerWaalsContact O-N 3.08Å; V149-W152 PolarHBondContact O-N 3.38Å; W152-A155 PolarHBondContact O-N 3.18Å; W152-L156 PolarHBondContact O-N 2.92Å |
| 153 | V | 96 | Very high | 91.8 | Very high | 100 Ų | 100 | 57 Ų | 57 | 61% | 0.606 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.4 | -46.7 | 174.8 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | V149 G150 A155 L156 G157 | V149-V153 HydrophobicContact CG1-CG2 4.28Å; V149-V153 WeakPolarHBondContact O-CG2 3.44Å; V149-V153 PolarHBondContact O-N 3Å; G150-V153 PolarHBondContact O-N 3.05Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-A155 PolarHBondContact O-N 3.4Å; V153-L156 PolarHBondContact O-N 3.4Å; V153-G157 PolarHBondContact O-N 2.96Å |
| 154 | A | 93.9 | Very high | 92.2 | Very high | 47 Ų | 47 | 55 Ų | 55 | 39% | 0.388 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G150 V151 G157 L158 | G150-A154 VanDerWaalsContact O-CB 3.3Å; G150-A154 WeakPolarHBondContact O-CB 3.33Å; G150-A154 PolarHBondContact O-N 3.44Å; V151-A154 PolarHBondContact O-N 2.96Å; A154-G157 PolarHBondContact O-N 2.91Å; A154-L158 WeakPolarHBondContact O-CB 3.3Å; A154-L158 WeakPolarHBondContact O-CG 3.43Å; A154-L158 PolarHBondContact O-N 3.42Å |
| 155 | A | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T110 T113 A114 V151 W152 V153 L158 G159 | T110-A155 HydrophobicContact CG2-CB 4.04Å; T113-A155 HydrophobicContact CG2-CB 4.05Å; A114-A155 HydrophobicContact CB-CB 3.87Å; V151-A155 VanDerWaalsContact O-CB 3.24Å; V151-A155 WeakPolarHBondContact O-CB 3.43Å; V151-A155 PolarHBondContact O-N 2.88Å; W152-A155 PolarHBondContact O-N 3.18Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-A155 PolarHBondContact O-N 3.4Å; A155-L158 PolarHBondContact O-N 2.98Å; A155-G159 PolarHBondContact O-N 3.26Å |
| 156 | L | 95.7 | Very high | 92.9 | Very high | 87 Ų | 87 | 63.6 Ų | 63.6 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.3 | -109.2 | 75.1 | 0 | 0 | 0 | 111.3 | T110 W152 V153 L158 G159 L160 | T110-L156 HydrophobicContact CG2-CD1 3.76Å; W152-L156 PolarHBondContact O-N 2.92Å; V153-L156 PolarHBondContact O-N 3.4Å; L156-L158 VanDerWaalsContact C-N 3.33Å; L156-L158 PolarHBondContact O-N 3.47Å; L156-G159 PolarHBondContact O-N 3.17Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.5Å; L156-L160 PolarHBondContact O-N 2.85Å |
| 157 | G | 95.2 | Very high | 93.2 | Very high | 44 Ų | 44 | 60.8 Ų | 60.8 | 45% | 0.454 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V153 A154 L161 | V153-G157 PolarHBondContact O-N 2.96Å; A154-G157 PolarHBondContact O-N 2.91Å; G157-L161 PolarHBondContact O-N 2.99Å |
| 158 | L | 93.5 | Very high | 93.5 | Very high | 73 Ų | 73 | 56.9 Ų | 56.9 | 38% | 0.382 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 177.3 | -76.1 | 177.5 | 0 | 0 | 0 | 112.9 | T113 A154 A155 L156 L160 L161 W190 | T113-L158 HydrophobicContact CG2-CB 4.31Å; T113-L158 HydrophobicContact CG2-CD1 3.64Å; A154-L158 WeakPolarHBondContact O-CB 3.3Å; A154-L158 WeakPolarHBondContact O-CG 3.43Å; A154-L158 PolarHBondContact O-N 3.42Å; A155-L158 PolarHBondContact O-N 2.98Å; L156-L158 VanDerWaalsContact C-N 3.33Å; L156-L158 PolarHBondContact O-N 3.47Å; L158-L160 VanDerWaalsContact C-N 3.32Å; L158-L160 PolarHBondContact O-N 2.99Å; L158-L161 HydrophobicContact CD2-CD1 4.18Å; L158-L161 WeakPolarHBondContact O-CB 3.45Å; L158-L161 PolarHBondContact O-N 3.01Å; L158-W190 HydrophobicContact CB-CZ3 4.12Å |
| 159 | G | 93.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.8 | -26.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | G106 A155 L156 | G106-G159 WeakPolarHBondContact CA-O 3.49Å; A155-G159 PolarHBondContact O-N 3.26Å; L156-G159 PolarHBondContact O-N 3.17Å |
| 160 | L | 94.5 | Very high | 93.6 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -86.2 | -15.4 | 175.5 | -68.9 | 173.7 | 0 | 0 | 0 | 113.2 | L156 L158 A163 H164 | L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.5Å; L156-L160 PolarHBondContact O-N 2.85Å; L158-L160 VanDerWaalsContact C-N 3.32Å; L158-L160 PolarHBondContact O-N 2.99Å; L160-A163 WeakPolarHBondContact O-CB 3.36Å; L160-A163 PolarHBondContact O-N 3.08Å; L160-A163 VanDerWaalsContact O-N 3.1Å; L160-H164 PolarHBondContact O-CD2 2.98Å; L160-H164 PolarHBondContact O-N 2.93Å |
| 161 | L | 94.3 | Very high | 93.5 | Very high | 43 Ų | 43 | 54.6 Ų | 54.6 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.5 | -45 | -173.2 | -167.6 | 155.3 | 0 | 0 | 0 | 113.1 | G157 L158 A163 H164 F165 W166 Y186 | G157-L161 PolarHBondContact O-N 2.99Å; L158-L161 HydrophobicContact CD2-CD1 4.18Å; L158-L161 WeakPolarHBondContact O-CB 3.45Å; L158-L161 PolarHBondContact O-N 3.01Å; L161-A163 VanDerWaalsContact C-N 3.32Å; L161-A163 PolarHBondContact O-N 3.49Å; L161-H164 PolarHBondContact O-N 3.05Å; L161-F165 PolarHBondContact O-N 3.23Å; L161-W166 HydrophobicContact CD2-CB 3.74Å; L161-W166 HydrophobicContact CD2-CD2 4.3Å; L161-W166 HydrophobicContact CD2-CE3 3.58Å; L161-W166 HydrophobicContact CD2-CG 4.44Å; L161-W166 PolarHBondContact O-N 3.32Å; L161-Y186 HydrophobicContact CD2-CD2 4.19Å; L161-Y186 HydrophobicContact CD2-CE2 4.14Å |
| 162 | P | 91.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -34.1 | 178 | -24.9 | 38 | 0 | 0 | 0 | 113.2 | H164 H167 F182 Y186 | P162-H164 PolarHBondContact O-N 3.45Å; P162-H167 VanDerWaalsContact O-CB 3.3Å; P162-H167 WeakPolarHBondContact O-CB 3.38Å; P162-H167 PolarHBondContact O-N 3.09Å; P162-F182 HydrophobicContact CB-CD1 3.82Å; P162-F182 HydrophobicContact CB-CD2 4.3Å; P162-F182 HydrophobicContact CB-CE1 3.34Å; P162-F182 HydrophobicContact CB-CE2 3.88Å; P162-F182 HydrophobicContact CB-CG 4.28Å; P162-F182 HydrophobicContact CB-CZ 3.36Å; P162-F182 HydrophobicContact CG-CD2 4.41Å; P162-F182 HydrophobicContact CG-CE1 4.11Å; P162-F182 HydrophobicContact CG-CE2 3.77Å; P162-F182 HydrophobicContact CG-CZ 3.58Å; P162-Y186 HydrophobicContact CB-CE1 4.3Å; P162-Y186 HydrophobicContact CG-CD1 4.06Å; P162-Y186 HydrophobicContact CG-CD2 4.22Å; P162-Y186 HydrophobicContact CG-CE1 3.44Å; P162-Y186 VanDerWaalsContact CG-CE1 3.44Å; P162-Y186 HydrophobicContact CG-CE2 3.62Å; P162-Y186 HydrophobicContact CG-CG 4.41Å; P162-Y186 VanDerWaalsContact CG-OH 3.26Å; P162-Y186 WeakPolarHBondContact CG-OH 3.4Å |
| 163 | A | 90.9 | Very high | 93.2 | Very high | 30 Ų | 30 | 58.4 Ų | 58.4 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -26.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F102 L160 L161 | F102-A163 HydrophobicContact CB-CB 3.97Å; F102-A163 HydrophobicContact CD1-CB 3.79Å; F102-A163 HydrophobicContact CE1-CB 4.47Å; F102-A163 HydrophobicContact CG-CB 3.89Å; L160-A163 WeakPolarHBondContact O-CB 3.36Å; L160-A163 PolarHBondContact O-N 3.08Å; L160-A163 VanDerWaalsContact O-N 3.1Å; L161-A163 VanDerWaalsContact C-N 3.32Å; L161-A163 PolarHBondContact O-N 3.49Å |
| 164 | H | 90.2 | Very high | 93 | Very high | 125 Ų | 125 | 61 Ų | 61 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -111.4 | -35.3 | -175.7 | -69.3 | -71.1 | 0 | 0 | 0 | 114.7 | L160 L161 P162 | L160-H164 PolarHBondContact O-CD2 2.98Å; L160-H164 PolarHBondContact O-N 2.93Å; L161-H164 PolarHBondContact O-N 3.05Å; P162-H164 PolarHBondContact O-N 3.45Å |
| 165 | F | 91.3 | Very high | 93 | Very high | 168 Ų | 168 | 58.9 Ų | 58.9 | 74% | 0.737 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | -34.5 | -165.9 | -58.6 | -72.4 | 0 | 0 | 0 | 114.5 | L161 | L161-F165 PolarHBondContact O-N 3.23Š|
| 166 | W | 92.6 | Very high | 93 | Very high | 105 Ų | 105 | 58.9 Ų | 58.9 | 40% | 0.398 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -124.2 | 35.8 | -167 | -127.6 | -14 | 0 | 0 | 0 | 115.3 | L161 S183 Y186 V189 | L161-W166 HydrophobicContact CD2-CB 3.74Å; L161-W166 HydrophobicContact CD2-CD2 4.3Å; L161-W166 HydrophobicContact CD2-CE3 3.58Å; L161-W166 HydrophobicContact CD2-CG 4.44Å; L161-W166 PolarHBondContact O-N 3.32Å; W166-S183 PolarHBondContact O-N 3.05Å; W166-S183 PolarHBondContact O-OG 3.49Å; W166-Y186 HydrophobicContact CB-CD2 4.11Å; W166-Y186 HydrophobicContact CB-CG 4.31Å; W166-Y186 HydrophobicContact CD2-CD2 4.16Å; W166-Y186 AromaticContact CE3-CD2 3.71Å; W166-Y186 HydrophobicContact CE3-CD2 3.71Å; W166-Y186 HydrophobicContact CG-CD2 4.35Å; W166-V189 HydrophobicContact CH2-CB 4.46Å; W166-V189 HydrophobicContact CH2-CG1 4.27Å; W166-V189 HydrophobicContact CH2-CG2 4.27Å; W166-V189 HydrophobicContact CZ3-CG1 4.37Å |
| 167 | H | 93.3 | Very high | 92.8 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 19% | 0.19 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -90.3 | 163.1 | 174.4 | 55.2 | 41.8 | 0 | 0 | 0 | 113.2 | F102 P162 L169 | F102-H167 HydrophobicContact CE1-CB 4.19Å; F102-H167 HydrophobicContact CZ-CB 3.79Å; P162-H167 VanDerWaalsContact O-CB 3.3Å; P162-H167 WeakPolarHBondContact O-CB 3.38Å; P162-H167 PolarHBondContact O-N 3.09Å; H167-L169 HydrophobicContact CB-CD1 4Å; H167-L169 HydrophobicContact CB-CG 4.47Å; H167-L169 VanDerWaalsContact CD2-CD1 3.43Å; H167-L169 WeakPolarHBondContact CD2-CD1 3.01Å |
| 168 | C | 94.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | trans | -98.2 | 12.2 | 176.7 | 69.7 | 0 | 0 | 0 | 0 | 114.4 | C170 D171 C175 P180 L181 | C168-C170 PolarHBondContact O-N 3.05Å; C168-D171 CarbonylContact O-C 3.59Å; C168-D171 VanDerWaalsContact O-C 3.26Å; C168-D171 PolarHBondContact O-N 2.84Å; C168-C175 HydrophobicContact CB-CB 3.9Å; C168-C175 WeakPolarHBondContact CB-SG 3.2Å; C168-C175 WeakPolarHBondContact SG-CA 3.35Å; C168-C175 WeakPolarHBondContact SG-CB 3.31Å; C168-C175 CovalentContact SG-SG 2.04Å; C168-C175 PolarHBondContact SG-SG 2.89Å; C168-P180 PolarHBondContact SG-O 2.95Å; C168-L181 PolarHBondContact N-O 3.28Å; C168-L181 VanDerWaalsContact N-O 3.11Å; C168-L181 PolarHBondContact SG-O 3.08Å | ||
| 169 | L | 93.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.2 | -175.9 | -83.2 | 151.3 | 0 | 0 | 0 | 115.7 | C4 Y5 Y6 F13 I98 F102 H167 | C4-L169 WeakPolarHBondContact CA-O 3.48Å; Y5-L169 WeakPolarHBondContact CD2-O 3.4Å; Y5-L169 PolarHBondContact N-O 3.38Å; Y6-L169 HydrophobicContact CD1-CD1 4.29Å; Y6-L169 HydrophobicContact CD1-CD2 4.3Å; Y6-L169 HydrophobicContact CE1-CB 4.41Å; Y6-L169 HydrophobicContact CE1-CD1 3.87Å; F13-L169 HydrophobicContact CE1-CD2 3.97Å; F13-L169 HydrophobicContact CE2-CD2 4.29Å; F13-L169 HydrophobicContact CZ-CD2 3.51Å; I98-L169 HydrophobicContact CD1-CD2 4.01Å; I98-L169 HydrophobicContact CG2-CD1 4.46Å; I98-L169 HydrophobicContact CG2-CD2 4.33Å; F102-L169 HydrophobicContact CE2-CD1 3.72Å; F102-L169 HydrophobicContact CZ-CD1 3.83Å; H167-L169 HydrophobicContact CB-CD1 4Å; H167-L169 HydrophobicContact CB-CG 4.47Å; H167-L169 VanDerWaalsContact CD2-CD1 3.43Å; H167-L169 WeakPolarHBondContact CD2-CD1 3.01Å |
| 170 | C | 92.4 | Very high | 92.5 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 31% | 0.311 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 3.8 | 179.6 | -52.5 | 0 | 0 | 0 | 0 | 113.1 | C4 C168 | C4-C170 HydrophobicContact CB-CB 4.07Å; C4-C170 WeakPolarHBondContact CB-SG 3.49Å; C4-C170 WeakPolarHBondContact SG-CB 2.83Å; C4-C170 CovalentContact SG-SG 2.04Å; C4-C170 PolarHBondContact SG-SG 3.26Å; C168-C170 PolarHBondContact O-N 3.05Å |
| 171 | D | 92.1 | Very high | 92.5 | Very high | 61 Ų | 61 | 48.2 Ų | 48.2 | 33% | 0.326 | 23% | 0.228 | S | C | . | . | trans | -151.8 | 84.4 | -178.7 | -171.7 | -11.6 | 0 | 0 | 0 | 109.3 | C168 D173 R174 | C168-D171 CarbonylContact O-C 3.59Å; C168-D171 VanDerWaalsContact O-C 3.26Å; C168-D171 PolarHBondContact O-N 2.84Å; D171-D173 VanDerWaalsContact C-N 3.26Å; D171-D173 PolarHBondContact O-N 2.7Å; D171-R174 PolarHBondContact O-N 2.97Å; D171-R174 WeakPolarHBondContact OD2-CD 3.44Å; D171-R174 WeakPolarHBondContact OD2-CG 3.26Å; D171-R174 IonicContact OD2-CZ 3.89Å; D171-R174 IonicContact OD2-NE 3.73Å; D171-R174 PolarHBondContact OD2-NE 2.98Å | ||
| 172 | L | 92.3 | Very high | 92.5 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -64.5 | -28.2 | -172.9 | -68.9 | 176.9 | 0 | 0 | 0 | 113.2 | Y5 F12 F13 N16 R174 C175 | Y5-L172 HydrophobicContact CD2-CD1 3.89Å; Y5-L172 HydrophobicContact CD2-CD2 4.1Å; Y5-L172 HydrophobicContact CD2-CG 3.91Å; Y5-L172 HydrophobicContact CE1-CD1 4.3Å; Y5-L172 HydrophobicContact CE2-CD1 3.47Å; Y5-L172 VanDerWaalsContact CE2-CD1 3.47Å; Y5-L172 HydrophobicContact CE2-CD2 4.42Å; Y5-L172 HydrophobicContact CE2-CG 3.73Å; Y5-L172 HydrophobicContact CG-CD1 4.48Å; F12-L172 HydrophobicContact CE1-CD1 3.86Å; F12-L172 HydrophobicContact CE1-CD2 4Å; F12-L172 HydrophobicContact CZ-CD1 3.73Å; F13-L172 HydrophobicContact CD1-CD2 4.02Å; F13-L172 HydrophobicContact CE1-CD2 3.9Å; N16-L172 PolarHBondContact ND2-O 3.07Å; L172-R174 PolarHBondContact O-N 3.33Å; L172-C175 WeakPolarHBondContact O-CB 3.22Å; L172-C175 PolarHBondContact O-N 3.45Å; L172-C175 VanDerWaalsContact O-N 3.14Å |
| 173 | D | 90.6 | Very high | 92.7 | Very high | 134 Ų | 134 | 46.5 Ų | 46.5 | 72% | 0.717 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -67.5 | -26.7 | 179.3 | -67.9 | -31 | 0 | 0 | 0 | 111.7 | D171 R184 | D171-D173 VanDerWaalsContact C-N 3.26Å; D171-D173 PolarHBondContact O-N 2.7Å; D173-R184 PolarHBondContact O-NH2 3.47Å |
| 174 | R | 92.4 | Very high | 92.8 | Very high | 155 Ų | 155 | 47.9 Ų | 47.9 | 59% | 0.585 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -88.2 | 0.4 | 176.2 | -63.5 | -170.8 | -167.5 | -147.4 | -4.2 | 114 | D171 L172 S183 R184 | D171-R174 PolarHBondContact O-N 2.97Å; D171-R174 WeakPolarHBondContact OD2-CD 3.44Å; D171-R174 WeakPolarHBondContact OD2-CG 3.26Å; D171-R174 IonicContact OD2-CZ 3.89Å; D171-R174 IonicContact OD2-NE 3.73Å; D171-R174 PolarHBondContact OD2-NE 2.98Å; L172-R174 PolarHBondContact O-N 3.33Å; R174-S183 WeakPolarHBondContact O-CA 3.39Å; R174-R184 WeakPolarHBondContact O-CG 3.44Å; R174-R184 PolarHBondContact O-N 3.34Å |
| 175 | C | 93.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 139.8 | 175.5 | -68.5 | 0 | 0 | 0 | 0 | 111 | C168 L172 R184 | C168-C175 HydrophobicContact CB-CB 3.9Å; C168-C175 WeakPolarHBondContact CB-SG 3.2Å; C168-C175 WeakPolarHBondContact SG-CA 3.35Å; C168-C175 WeakPolarHBondContact SG-CB 3.31Å; C168-C175 CovalentContact SG-SG 2.04Å; C168-C175 PolarHBondContact SG-SG 2.89Å; L172-C175 WeakPolarHBondContact O-CB 3.22Å; L172-C175 PolarHBondContact O-N 3.45Å; L172-C175 VanDerWaalsContact O-N 3.14Å; C175-R184 PolarHBondContact O-NE 2.8Å; C175-R184 PolarHBondContact O-NH2 3.29Å |
| 176 | S | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -81.1 | 160.5 | 176.4 | 88.9 | 0 | 0 | 0 | 0 | 111.8 | S17 V179 F182 L187 D261 | S17-S176 VanDerWaalsContact CB-O 3.31Å; S17-S176 WeakPolarHBondContact CB-O 3.49Å; S17-S176 PolarHBondContact OG-O 3.29Å; S176-V179 PolarHBondContact OG-N 2.99Å; S176-V179 VanDerWaalsContact OG-N 3.09Å; S176-V179 PolarHBondContact OG-O 3.24Å; S176-V179 VanDerWaalsContact OG-O 3.08Å; S176-F182 PolarHBondContact N-O 3.5Å; S176-F182 VanDerWaalsContact N-O 3.14Å; S176-L187 VanDerWaalsContact CB-CD1 3.48Å; S176-L187 WeakPolarHBondContact OG-CD1 3.48Å; S176-D261 WeakPolarHBondContact CB-OD2 3.3Å; S176-D261 PolarHBondContact OG-OD2 3.27Å | ||
| 177 | R | 92.2 | Very high | 93.4 | Very high | 49 Ų | 49 | 31.9 Ų | 31.9 | 19% | 0.185 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -82.7 | -38.6 | -179.9 | -61.5 | -178.7 | -69.6 | 168.7 | -1.8 | 111.2 | S17 K19 D261 C265 | S17-R177 WeakPolarHBondContact O-CG 3.48Å; K19-R177 WeakPolarHBondContact CD-O 3.33Å; R177-D261 WeakPolarHBondContact CB-OD1 3.32Å; R177-D261 PolarHBondContact N-OD1 3.39Å; R177-D261 PolarHBondContact N-OD2 3.4Å; R177-D261 IonicContact NE-OD1 3.34Å; R177-C265 PolarHBondContact NH2-O 3.03Å |
| 178 | M | 90.7 | Very high | 93.5 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -73.7 | -36.6 | -177.3 | -168.4 | -179.8 | 179 | 0 | 0 | 111.6 | K19 V257 L258 D261 E274 | K19-M178 PolarHBondContact NZ-O 3.37Å; M178-V257 HydrophobicContact CE-CG1 4.11Å; M178-V257 HydrophobicContact SD-CG1 3.77Å; M178-L258 HydrophobicContact CE-CD2 4.16Å; M178-L258 HydrophobicContact SD-CD2 3.51Å; M178-L258 VanDerWaalsContact SD-CD2 3.51Å; M178-L258 HydrophobicContact SD-CG 4.16Å; M178-D261 HydrophobicContact CB-CB 4.24Å; M178-D261 WeakPolarHBondContact CB-OD2 3.45Å; M178-D261 PolarHBondContact N-OD2 3.49Å; M178-E274 HydrophobicContact CE-CB 3.83Å; M178-E274 HydrophobicContact CE-CG 3.58Å; M178-E274 HydrophobicContact CG-CG 4.34Å |
| 179 | V | 93.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -130.9 | 76 | -170.7 | -172.4 | 0 | 0 | 0 | 0 | 109 | W101 Q105 S176 L181 F182 L187 L258 | W101-V179 HydrophobicContact CH2-CB 4.48Å; W101-V179 HydrophobicContact CH2-CG1 3.37Å; W101-V179 HydrophobicContact CZ2-CG1 3.97Å; W101-V179 HydrophobicContact CZ3-CG1 4.37Å; Q105-V179 HydrophobicContact CG-CG1 4.4Å; S176-V179 PolarHBondContact OG-N 2.99Å; S176-V179 VanDerWaalsContact OG-N 3.09Å; S176-V179 PolarHBondContact OG-O 3.24Å; S176-V179 VanDerWaalsContact OG-O 3.08Å; V179-L181 PolarHBondContact O-N 3.39Å; V179-F182 HydrophobicContact CB-CB 4.27Å; V179-F182 HydrophobicContact CB-CD2 4.49Å; V179-F182 HydrophobicContact CB-CG 4.47Å; V179-F182 HydrophobicContact CG1-CB 3.83Å; V179-F182 HydrophobicContact CG1-CD1 4.1Å; V179-F182 HydrophobicContact CG1-CD2 3.53Å; V179-F182 HydrophobicContact CG1-CE2 4.09Å; V179-F182 HydrophobicContact CG1-CG 3.55Å; V179-F182 PolarHBondContact O-N 2.96Å; V179-L187 HydrophobicContact CB-CD1 4.17Å; V179-L187 HydrophobicContact CB-CD2 4.49Å; V179-L187 HydrophobicContact CG2-CD1 4.21Å; V179-L187 HydrophobicContact CG2-CD2 4.4Å; V179-L258 HydrophobicContact CG2-CD2 4.13Å |
| 180 | P | 91.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -9.5 | -158.7 | -30.4 | 38.8 | 0 | 0 | 0 | 119 | F13 Y14 K19 C168 | F13-P180 HydrophobicContact CB-CB 4.18Å; Y14-P180 HydrophobicContact CD1-CG 4.13Å; Y14-P180 HydrophobicContact CD2-CB 4.01Å; Y14-P180 HydrophobicContact CD2-CG 3.86Å; Y14-P180 HydrophobicContact CE1-CG 4.24Å; Y14-P180 HydrophobicContact CE2-CB 4.3Å; Y14-P180 HydrophobicContact CE2-CG 3.96Å; Y14-P180 HydrophobicContact CG-CB 4.43Å; Y14-P180 HydrophobicContact CG-CG 3.97Å; K19-P180 HydrophobicContact CB-CG 4.34Å; K19-P180 HydrophobicContact CD-CG 4Å; C168-P180 PolarHBondContact SG-O 2.95Å |
| 181 | L | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -7.7 | 176 | -75.5 | 66.7 | 0 | 0 | 0 | 112.5 | I10 F13 I98 W101 F102 C168 V179 | I10-L181 HydrophobicContact CD1-CD1 4.23Å; I10-L181 HydrophobicContact CD1-CD2 3.93Å; F13-L181 HydrophobicContact CB-CD1 3.67Å; F13-L181 HydrophobicContact CB-CG 4.42Å; F13-L181 HydrophobicContact CD2-CD1 4.14Å; F13-L181 HydrophobicContact CD2-CG 4.31Å; F13-L181 HydrophobicContact CG-CD1 3.9Å; F13-L181 HydrophobicContact CG-CG 4.15Å; I98-L181 HydrophobicContact CG2-CD2 4.04Å; W101-L181 HydrophobicContact CB-CD2 4.37Å; W101-L181 HydrophobicContact CD2-CD1 4.14Å; W101-L181 HydrophobicContact CD2-CD2 3.92Å; W101-L181 HydrophobicContact CD2-CG 4.43Å; W101-L181 HydrophobicContact CE3-CB 3.93Å; W101-L181 HydrophobicContact CE3-CD1 4.38Å; W101-L181 HydrophobicContact CE3-CD2 3.68Å; W101-L181 HydrophobicContact CE3-CG 4.21Å; W101-L181 HydrophobicContact CG-CD2 4.23Å; W101-L181 HydrophobicContact CH2-CB 3.77Å; W101-L181 HydrophobicContact CH2-CD1 4.38Å; W101-L181 HydrophobicContact CZ2-CB 4.42Å; W101-L181 HydrophobicContact CZ2-CD1 4.17Å; W101-L181 HydrophobicContact CZ3-CB 3.55Å; W101-L181 HydrophobicContact CZ3-CD2 4.21Å; W101-L181 HydrophobicContact CZ3-CG 4.3Å; F102-L181 HydrophobicContact CD2-CD2 4.42Å; F102-L181 HydrophobicContact CE1-CB 4.41Å; F102-L181 HydrophobicContact CE2-CD2 3.94Å; F102-L181 HydrophobicContact CZ-CB 4Å; F102-L181 HydrophobicContact CZ-CD2 4.22Å; C168-L181 PolarHBondContact N-O 3.28Å; C168-L181 VanDerWaalsContact N-O 3.11Å; C168-L181 PolarHBondContact SG-O 3.08Å; V179-L181 PolarHBondContact O-N 3.39Å |
| 182 | F | 94.9 | Very high | 94 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -93.7 | 147.6 | 179.6 | -76.2 | 14.3 | 0 | 0 | 0 | 111 | W101 F102 Q105 D109 P162 S176 V179 Y186 L187 | W101-F182 HydrophobicContact CH2-CD1 4.03Å; W101-F182 HydrophobicContact CH2-CE1 4.18Å; W101-F182 AromaticContact CZ3-CD1 3.76Å; W101-F182 HydrophobicContact CZ3-CD1 3.76Å; W101-F182 AromaticContact CZ3-CE1 3.58Å; W101-F182 HydrophobicContact CZ3-CE1 3.58Å; W101-F182 HydrophobicContact CZ3-CZ 4.42Å; F102-F182 HydrophobicContact CD1-CD1 4.49Å; F102-F182 AromaticContact CD1-CE1 3.73Å; F102-F182 HydrophobicContact CD1-CE1 3.73Å; F102-F182 AromaticContact CE1-CD1 3.91Å; F102-F182 HydrophobicContact CE1-CD1 3.91Å; F102-F182 AromaticContact CE1-CE1 3.58Å; F102-F182 HydrophobicContact CE1-CE1 3.58Å; Q105-F182 HydrophobicContact CB-CE1 4.48Å; Q105-F182 HydrophobicContact CB-CZ 3.98Å; Q105-F182 HydrophobicContact CG-CE1 4.14Å; Q105-F182 HydrophobicContact CG-CE2 3.59Å; Q105-F182 HydrophobicContact CG-CZ 3.34Å; D109-F182 WeakPolarHBondContact OD2-CE2 3.23Å; P162-F182 HydrophobicContact CB-CD1 3.82Å; P162-F182 HydrophobicContact CB-CD2 4.3Å; P162-F182 HydrophobicContact CB-CE1 3.34Å; P162-F182 HydrophobicContact CB-CE2 3.88Å; P162-F182 HydrophobicContact CB-CG 4.28Å; P162-F182 HydrophobicContact CB-CZ 3.36Å; P162-F182 HydrophobicContact CG-CD2 4.41Å; P162-F182 HydrophobicContact CG-CE1 4.11Å; P162-F182 HydrophobicContact CG-CE2 3.77Å; P162-F182 HydrophobicContact CG-CZ 3.58Å; S176-F182 PolarHBondContact N-O 3.5Å; S176-F182 VanDerWaalsContact N-O 3.14Å; V179-F182 HydrophobicContact CB-CB 4.27Å; V179-F182 HydrophobicContact CB-CD2 4.49Å; V179-F182 HydrophobicContact CB-CG 4.47Å; V179-F182 HydrophobicContact CG1-CB 3.83Å; V179-F182 HydrophobicContact CG1-CD1 4.1Å; V179-F182 HydrophobicContact CG1-CD2 3.53Å; V179-F182 HydrophobicContact CG1-CE2 4.09Å; V179-F182 HydrophobicContact CG1-CG 3.55Å; V179-F182 PolarHBondContact O-N 2.96Å; F182-Y186 HydrophobicContact CB-CD1 4.34Å; F182-Y186 AromaticContact CD2-CD1 3.49Å; F182-Y186 HydrophobicContact CD2-CD1 3.49Å; F182-Y186 VanDerWaalsContact CD2-CD1 3.49Å; F182-Y186 AromaticContact CD2-CE1 3.38Å; F182-Y186 HydrophobicContact CD2-CE1 3.38Å; F182-Y186 HydrophobicContact CE2-CD1 4.03Å; F182-Y186 AromaticContact CE2-CE1 3.43Å; F182-Y186 HydrophobicContact CE2-CE1 3.43Å; F182-Y186 VanDerWaalsContact CE2-CE1 3.43Å; F182-Y186 HydrophobicContact CG-CD1 4.13Å; F182-Y186 HydrophobicContact CG-CE1 4.37Å; F182-Y186 HydrophobicContact CZ-CE1 4.43Å; F182-L187 HydrophobicContact CB-CD2 4.39Å; F182-L187 HydrophobicContact CB-CG 4.42Å; F182-L187 HydrophobicContact CD2-CD2 3.84Å |
| 183 | S | 94.7 | Very high | 94 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -72.7 | 142.9 | 171.3 | 63 | 0 | 0 | 0 | 0 | 110.9 | W166 R174 S185 Y186 L187 | W166-S183 PolarHBondContact O-N 3.05Å; W166-S183 PolarHBondContact O-OG 3.49Å; R174-S183 WeakPolarHBondContact O-CA 3.39Å; S183-S185 PolarHBondContact O-N 2.77Å; S183-S185 PolarHBondContact OG-OG 3.08Å; S183-Y186 WeakPolarHBondContact O-CB 3.3Å; S183-Y186 PolarHBondContact O-N 3.49Å; S183-Y186 VanDerWaalsContact OG-CB 3.23Å; S183-Y186 WeakPolarHBondContact OG-CB 3.43Å; S183-Y186 PolarHBondContact OG-N 2.98Å; S183-L187 PolarHBondContact O-N 3.3Å |
| 184 | R | 94.6 | Very high | 94.1 | Very high | 59 Ų | 59 | 29.7 Ų | 29.7 | 22% | 0.223 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.6 | -38.5 | 174.5 | -70.6 | 177.7 | -157.1 | 176.5 | 2.5 | 112.2 | D173 R174 C175 Y186 L187 A188 G262 D264 | D173-R184 PolarHBondContact O-NH2 3.47Å; R174-R184 WeakPolarHBondContact O-CG 3.44Å; R174-R184 PolarHBondContact O-N 3.34Å; C175-R184 PolarHBondContact O-NE 2.8Å; C175-R184 PolarHBondContact O-NH2 3.29Å; R184-Y186 PolarHBondContact O-N 3.27Å; R184-L187 PolarHBondContact O-N 3.28Å; R184-A188 PolarHBondContact O-N 2.82Å; R184-G262 WeakPolarHBondContact O-CA 3.21Å; R184-D264 IonicContact CZ-OD1 3.75Å; R184-D264 IonicContact CZ-OD2 3.01Å; R184-D264 IonicContact NH1-OD1 2.79Å; R184-D264 PolarHBondContact NH1-OD1 2.69Å; R184-D264 VanDerWaalsContact NH1-OD1 3.15Å; R184-D264 IonicContact NH1-OD2 2.76Å; R184-D264 PolarHBondContact NH1-OD2 3.29Å |
| 185 | S | 95.3 | Very high | 94.2 | Very high | 49 Ų | 49 | 23.8 Ų | 23.8 | 34% | 0.343 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -63 | -40.9 | 177.2 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | S183 A188 V189 | S183-S185 PolarHBondContact O-N 2.77Å; S183-S185 PolarHBondContact OG-OG 3.08Å; S185-A188 PolarHBondContact O-N 2.94Å; S185-V189 WeakPolarHBondContact O-CG2 3.33Å; S185-V189 PolarHBondContact O-N 2.68Å |
| 186 | Y | 94.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | 174.1 | 169.6 | -101.6 | 0 | 0 | 0 | 111.3 | D109 L161 P162 W166 F182 S183 R184 A188 V189 W190 | D109-Y186 PolarHBondContact OD2-OH 3.44Å; L161-Y186 HydrophobicContact CD2-CD2 4.19Å; L161-Y186 HydrophobicContact CD2-CE2 4.14Å; P162-Y186 HydrophobicContact CB-CE1 4.3Å; P162-Y186 HydrophobicContact CG-CD1 4.06Å; P162-Y186 HydrophobicContact CG-CD2 4.22Å; P162-Y186 HydrophobicContact CG-CE1 3.44Å; P162-Y186 VanDerWaalsContact CG-CE1 3.44Å; P162-Y186 HydrophobicContact CG-CE2 3.62Å; P162-Y186 HydrophobicContact CG-CG 4.41Å; P162-Y186 VanDerWaalsContact CG-OH 3.26Å; P162-Y186 WeakPolarHBondContact CG-OH 3.4Å; W166-Y186 HydrophobicContact CB-CD2 4.11Å; W166-Y186 HydrophobicContact CB-CG 4.31Å; W166-Y186 HydrophobicContact CD2-CD2 4.16Å; W166-Y186 AromaticContact CE3-CD2 3.71Å; W166-Y186 HydrophobicContact CE3-CD2 3.71Å; W166-Y186 HydrophobicContact CG-CD2 4.35Å; F182-Y186 HydrophobicContact CB-CD1 4.34Å; F182-Y186 AromaticContact CD2-CD1 3.49Å; F182-Y186 HydrophobicContact CD2-CD1 3.49Å; F182-Y186 VanDerWaalsContact CD2-CD1 3.49Å; F182-Y186 AromaticContact CD2-CE1 3.38Å; F182-Y186 HydrophobicContact CD2-CE1 3.38Å; F182-Y186 HydrophobicContact CE2-CD1 4.03Å; F182-Y186 AromaticContact CE2-CE1 3.43Å; F182-Y186 HydrophobicContact CE2-CE1 3.43Å; F182-Y186 VanDerWaalsContact CE2-CE1 3.43Å; F182-Y186 HydrophobicContact CG-CD1 4.13Å; F182-Y186 HydrophobicContact CG-CE1 4.37Å; F182-Y186 HydrophobicContact CZ-CE1 4.43Å; S183-Y186 WeakPolarHBondContact O-CB 3.3Å; S183-Y186 PolarHBondContact O-N 3.49Å; S183-Y186 VanDerWaalsContact OG-CB 3.23Å; S183-Y186 WeakPolarHBondContact OG-CB 3.43Å; S183-Y186 PolarHBondContact OG-N 2.98Å; R184-Y186 PolarHBondContact O-N 3.27Å; Y186-A188 VanDerWaalsContact C-N 3.33Å; Y186-A188 PolarHBondContact O-N 3.45Å; Y186-V189 PolarHBondContact O-N 3.04Å; Y186-W190 HydrophobicContact CE1-CB 4.47Å; Y186-W190 HydrophobicContact CE2-CE3 4.16Å; Y186-W190 AromaticContact CZ-CE3 3.88Å; Y186-W190 VanDerWaalsContact O-CB 3.23Å; Y186-W190 WeakPolarHBondContact O-CB 3.22Å; Y186-W190 PolarHBondContact O-N 3.34Å; Y186-W190 VanDerWaalsContact OH-CE3 3.3Å |
| 187 | L | 94.9 | Very high | 94 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 179.3 | -69.6 | -170.2 | 0 | 0 | 0 | 112.5 | S176 V179 F182 S183 R184 W190 A191 L258 | S176-L187 VanDerWaalsContact CB-CD1 3.48Å; S176-L187 WeakPolarHBondContact OG-CD1 3.48Å; V179-L187 HydrophobicContact CB-CD1 4.17Å; V179-L187 HydrophobicContact CB-CD2 4.49Å; V179-L187 HydrophobicContact CG2-CD1 4.21Å; V179-L187 HydrophobicContact CG2-CD2 4.4Å; F182-L187 HydrophobicContact CB-CD2 4.39Å; F182-L187 HydrophobicContact CB-CG 4.42Å; F182-L187 HydrophobicContact CD2-CD2 3.84Å; S183-L187 PolarHBondContact O-N 3.3Å; R184-L187 PolarHBondContact O-N 3.28Å; L187-W190 PolarHBondContact O-N 3.03Å; L187-A191 WeakPolarHBondContact O-CB 3.49Å; L187-A191 PolarHBondContact O-N 3.41Å; L187-L258 HydrophobicContact CD1-CD2 4.31Å; L187-L258 HydrophobicContact CD2-CD2 4.16Å |
| 188 | A | 95.8 | Very high | 94 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | R184 S185 Y186 A191 L192 L259 | R184-A188 PolarHBondContact O-N 2.82Å; S185-A188 PolarHBondContact O-N 2.94Å; Y186-A188 VanDerWaalsContact C-N 3.33Å; Y186-A188 PolarHBondContact O-N 3.45Å; A188-A191 PolarHBondContact O-N 3.41Å; A188-L192 VanDerWaalsContact O-CB 3.24Å; A188-L192 WeakPolarHBondContact O-CB 3.2Å; A188-L192 WeakPolarHBondContact O-CD1 3.08Å; A188-L192 WeakPolarHBondContact O-CG 3.45Å; A188-L192 PolarHBondContact O-N 2.94Å; A188-L259 HydrophobicContact CB-CD1 4.25Å |
| 189 | V | 95.9 | Very high | 94 | Very high | 72 Ų | 72 | 34 Ų | 34 | 44% | 0.436 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 178.7 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | W166 S185 Y186 S193 | W166-V189 HydrophobicContact CH2-CB 4.46Å; W166-V189 HydrophobicContact CH2-CG1 4.27Å; W166-V189 HydrophobicContact CH2-CG2 4.27Å; W166-V189 HydrophobicContact CZ3-CG1 4.37Å; S185-V189 WeakPolarHBondContact O-CG2 3.33Å; S185-V189 PolarHBondContact O-N 2.68Å; Y186-V189 PolarHBondContact O-N 3.04Å; V189-S193 VanDerWaalsContact O-CB 3.24Å; V189-S193 WeakPolarHBondContact O-CB 3.06Å; V189-S193 PolarHBondContact O-N 3.25Å; V189-S193 PolarHBondContact O-OG 3.48Å |
| 190 | W | 94.7 | Very high | 93.8 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 8% | 0.076 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.2 | -49.7 | 176.9 | 178.4 | -94.3 | 0 | 0 | 0 | 112.3 | D109 L112 T113 L158 Y186 L187 S193 S194 | D109-W190 HydrophobicContact CB-CH2 3.94Å; D109-W190 HydrophobicContact CB-CZ2 3.98Å; L112-W190 HydrophobicContact CD2-CZ2 4.18Å; T113-W190 WeakPolarHBondContact OG1-CH2 3.43Å; L158-W190 HydrophobicContact CB-CZ3 4.12Å; Y186-W190 HydrophobicContact CE1-CB 4.47Å; Y186-W190 HydrophobicContact CE2-CE3 4.16Å; Y186-W190 AromaticContact CZ-CE3 3.88Å; Y186-W190 VanDerWaalsContact O-CB 3.23Å; Y186-W190 WeakPolarHBondContact O-CB 3.22Å; Y186-W190 PolarHBondContact O-N 3.34Å; Y186-W190 VanDerWaalsContact OH-CE3 3.3Å; L187-W190 PolarHBondContact O-N 3.03Å; W190-S193 PolarHBondContact O-OG 3.41Å; W190-S194 VanDerWaalsContact O-CB 3.3Å; W190-S194 WeakPolarHBondContact O-CB 3.23Å; W190-S194 PolarHBondContact O-N 3.47Å; W190-S194 PolarHBondContact O-OG 3.39Å |
| 191 | A | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.4 | -45.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L187 A188 S194 L195 Q255 L258 L259 | L187-A191 WeakPolarHBondContact O-CB 3.49Å; L187-A191 PolarHBondContact O-N 3.41Å; A188-A191 PolarHBondContact O-N 3.41Å; A191-S194 PolarHBondContact O-N 3.43Å; A191-L195 WeakPolarHBondContact O-CB 3.48Å; A191-L195 VanDerWaalsContact O-CG 3.25Å; A191-L195 WeakPolarHBondContact O-CG 3.32Å; A191-L195 PolarHBondContact O-N 2.97Å; A191-Q255 WeakPolarHBondContact CB-O 3.43Å; A191-L258 HydrophobicContact CB-CB 4.11Å; A191-L259 HydrophobicContact CB-CB 3.78Å |
| 192 | L | 96.1 | Very high | 93.2 | Very high | 95 Ų | 95 | 40.7 Ų | 40.7 | 50% | 0.497 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 177.1 | -82 | 158.3 | 0 | 0 | 0 | 111.9 | A188 L195 L196 L259 | A188-L192 VanDerWaalsContact O-CB 3.24Å; A188-L192 WeakPolarHBondContact O-CB 3.2Å; A188-L192 WeakPolarHBondContact O-CD1 3.08Å; A188-L192 WeakPolarHBondContact O-CG 3.45Å; A188-L192 PolarHBondContact O-N 2.94Å; L192-L195 PolarHBondContact O-N 2.7Å; L192-L196 WeakPolarHBondContact O-CB 3.26Å; L192-L196 PolarHBondContact O-N 3.37Å; L192-L259 HydrophobicContact CD1-CD1 3.85Å; L192-L259 HydrophobicContact CD2-CD1 4.3Å; L192-L259 HydrophobicContact CD2-CD2 4.03Å; L192-L259 HydrophobicContact CG-CD1 3.64Å; L192-L259 HydrophobicContact CG-CD2 4.15Å |
| 193 | S | 93.6 | Very high | 92.9 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 178.4 | 59.6 | 0 | 0 | 0 | 0 | 111.5 | V189 W190 L196 V197 | V189-S193 VanDerWaalsContact O-CB 3.24Å; V189-S193 WeakPolarHBondContact O-CB 3.06Å; V189-S193 PolarHBondContact O-N 3.25Å; V189-S193 PolarHBondContact O-OG 3.48Å; W190-S193 PolarHBondContact O-OG 3.41Å; S193-L196 PolarHBondContact O-N 2.82Å; S193-V197 WeakPolarHBondContact O-CG2 3.3Å; S193-V197 PolarHBondContact O-N 2.89Å |
| 194 | S | 92.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 175.7 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | W190 A191 L196 V197 F198 Q255 | W190-S194 VanDerWaalsContact O-CB 3.3Å; W190-S194 WeakPolarHBondContact O-CB 3.23Å; W190-S194 PolarHBondContact O-N 3.47Å; W190-S194 PolarHBondContact O-OG 3.39Å; A191-S194 PolarHBondContact O-N 3.43Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 PolarHBondContact O-N 2.97Å; S194-V197 PolarHBondContact O-N 2.97Å; S194-F198 WeakPolarHBondContact O-CD1 3.32Å; S194-F198 VanDerWaalsContact O-CG 3.31Å; S194-F198 WeakPolarHBondContact O-CG 3.44Å; S194-F198 PolarHBondContact O-N 3.46Å; S194-Q255 VanDerWaalsContact CB-NE2 3.26Å; S194-Q255 PolarHBondContact OG-NE2 3.33Å |
| 195 | L | 94.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 16% | 0.162 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 177 | -72 | 169.5 | 0 | 0 | 0 | 111.9 | A191 L192 V197 F198 L199 T252 Q255 V256 L259 | A191-L195 WeakPolarHBondContact O-CB 3.48Å; A191-L195 VanDerWaalsContact O-CG 3.25Å; A191-L195 WeakPolarHBondContact O-CG 3.32Å; A191-L195 PolarHBondContact O-N 2.97Å; L192-L195 PolarHBondContact O-N 2.7Å; L195-V197 VanDerWaalsContact C-N 3.33Å; L195-V197 PolarHBondContact O-N 2.04Å; L195-F198 HydrophobicContact CD2-CD2 4.4Å; L195-F198 WeakPolarHBondContact O-CB 3.46Å; L195-F198 PolarHBondContact O-N 2.83Å; L195-L199 WeakPolarHBondContact O-CG 3.23Å; L195-L199 PolarHBondContact O-N 2.95Å; L195-T252 HydrophobicContact CD2-CG2 3.96Å; L195-Q255 HydrophobicContact CD1-CB 4.47Å; L195-Q255 HydrophobicContact CD2-CB 3.9Å; L195-Q255 HydrophobicContact CG-CB 3.98Å; L195-V256 HydrophobicContact CD1-CG2 4.38Å; L195-V256 HydrophobicContact CD2-CG2 4.37Å; L195-L259 HydrophobicContact CD1-CD2 4.07Å |
| 196 | L | 94 | Very high | 91.1 | Very high | 120 Ų | 120 | 44.5 Ų | 44.5 | 63% | 0.628 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 174.7 | 179.9 | 63.4 | 0 | 0 | 0 | 111.7 | L192 S193 S194 F198 L199 L200 | L192-L196 WeakPolarHBondContact O-CB 3.26Å; L192-L196 PolarHBondContact O-N 3.37Å; S193-L196 PolarHBondContact O-N 2.82Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 PolarHBondContact O-N 2.97Å; L196-F198 VanDerWaalsContact C-N 3.31Å; L196-F198 PolarHBondContact O-N 3.25Å; L196-L199 PolarHBondContact O-N 3.5Å; L196-L200 WeakPolarHBondContact O-CB 3.46Å; L196-L200 PolarHBondContact O-N 2.79Å |
| 197 | V | 91.3 | Very high | 90.7 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | V116 S193 S194 L195 L200 M201 | V116-V197 HydrophobicContact CG1-CB 4.32Å; V116-V197 HydrophobicContact CG1-CG1 3.5Å; S193-V197 WeakPolarHBondContact O-CG2 3.3Å; S193-V197 PolarHBondContact O-N 2.89Å; S194-V197 PolarHBondContact O-N 2.97Å; L195-V197 VanDerWaalsContact C-N 3.33Å; L195-V197 PolarHBondContact O-N 2.04Å; V197-L200 PolarHBondContact O-N 2.97Å; V197-M201 HydrophobicContact CG1-CE 4.05Å; V197-M201 WeakPolarHBondContact O-CG 3.38Å; V197-M201 PolarHBondContact O-N 3.11Å |
| 198 | F | 91.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.8 | -63.9 | 1 | 0 | 0 | 0 | 111.3 | V116 S194 L195 L196 L200 M201 V202 F247 V248 W251 Q255 | V116-F198 HydrophobicContact CG2-CE1 3.89Å; S194-F198 WeakPolarHBondContact O-CD1 3.32Å; S194-F198 VanDerWaalsContact O-CG 3.31Å; S194-F198 WeakPolarHBondContact O-CG 3.44Å; S194-F198 PolarHBondContact O-N 3.46Å; L195-F198 HydrophobicContact CD2-CD2 4.4Å; L195-F198 WeakPolarHBondContact O-CB 3.46Å; L195-F198 PolarHBondContact O-N 2.83Å; L196-F198 VanDerWaalsContact C-N 3.31Å; L196-F198 PolarHBondContact O-N 3.25Å; F198-L200 PolarHBondContact O-N 3.31Å; F198-M201 HydrophobicContact CD1-CE 3.52Å; F198-M201 HydrophobicContact CE1-CE 4.21Å; F198-M201 HydrophobicContact CG-CE 4.38Å; F198-M201 PolarHBondContact O-N 2.98Å; F198-V202 WeakPolarHBondContact O-CG2 3.3Å; F198-V202 PolarHBondContact O-N 3.1Å; F198-F247 HydrophobicContact CD1-CE1 4.17Å; F198-F247 HydrophobicContact CE1-CD1 4.29Å; F198-F247 AromaticContact CE1-CE1 3.47Å; F198-F247 HydrophobicContact CE1-CE1 3.47Å; F198-F247 VanDerWaalsContact CE1-CE1 3.47Å; F198-F247 HydrophobicContact CE1-CZ 4.35Å; F198-F247 HydrophobicContact CZ-CD1 4.48Å; F198-F247 AromaticContact CZ-CE1 3.7Å; F198-F247 HydrophobicContact CZ-CE1 3.7Å; F198-F247 HydrophobicContact CZ-CZ 4.43Å; F198-V248 HydrophobicContact CB-CG1 4.49Å; F198-V248 HydrophobicContact CB-CG2 4.15Å; F198-V248 HydrophobicContact CG-CG2 4.41Å; F198-W251 HydrophobicContact CE2-CB 3.65Å; F198-W251 HydrophobicContact CZ-CB 3.76Å; F198-Q255 HydrophobicContact CE2-CG 3.96Å; F198-Q255 HydrophobicContact CZ-CG 4.29Å |
| 199 | L | 91.3 | Very high | 89.2 | Confident | 118 Ų | 118 | 54.9 Ų | 54.9 | 62% | 0.618 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.7 | -44.4 | 174.9 | -69.7 | 172.6 | 0 | 0 | 0 | 111.7 | L195 L196 M201 V202 A203 | L195-L199 WeakPolarHBondContact O-CG 3.23Å; L195-L199 PolarHBondContact O-N 2.95Å; L196-L199 PolarHBondContact O-N 3.5Å; L199-M201 PolarHBondContact O-N 3.04Å; L199-V202 PolarHBondContact O-N 3.1Å; L199-A203 WeakPolarHBondContact O-CB 3.23Å; L199-A203 PolarHBondContact O-N 2.95Å |
| 200 | L | 89.1 | Confident | 88.6 | Confident | 90 Ų | 90 | 56.5 Ų | 56.5 | 47% | 0.471 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 176 | 178.5 | 65.2 | 0 | 0 | 0 | 111.3 | L120 L196 V197 F198 A203 V204 | L120-L200 HydrophobicContact CD1-CD2 4.29Å; L196-L200 WeakPolarHBondContact O-CB 3.46Å; L196-L200 PolarHBondContact O-N 2.79Å; V197-L200 PolarHBondContact O-N 2.97Å; F198-L200 PolarHBondContact O-N 3.31Å; L200-A203 PolarHBondContact O-N 2.82Å; L200-V204 HydrophobicContact CD1-CG2 4.3Å; L200-V204 WeakPolarHBondContact O-CG2 3.47Å; L200-V204 PolarHBondContact O-N 3.47Å |
| 201 | M | 85.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.6 | -52.1 | 175.8 | -74.9 | -171.7 | -71.3 | 0 | 0 | 110.4 | L119 L120 V197 F198 L199 A203 V204 Y205 L244 F247 | L119-M201 HydrophobicContact CB-SD 3.97Å; L120-M201 HydrophobicContact CD1-CG 4.41Å; V197-M201 HydrophobicContact CG1-CE 4.05Å; V197-M201 WeakPolarHBondContact O-CG 3.38Å; V197-M201 PolarHBondContact O-N 3.11Å; F198-M201 HydrophobicContact CD1-CE 3.52Å; F198-M201 HydrophobicContact CE1-CE 4.21Å; F198-M201 HydrophobicContact CG-CE 4.38Å; F198-M201 PolarHBondContact O-N 2.98Å; L199-M201 PolarHBondContact O-N 3.04Å; M201-A203 VanDerWaalsContact C-N 3.33Å; M201-A203 PolarHBondContact O-N 3.15Å; M201-V204 PolarHBondContact O-N 3.45Å; M201-Y205 HydrophobicContact CB-CD2 4.47Å; M201-Y205 HydrophobicContact CB-CE2 4.44Å; M201-Y205 WeakPolarHBondContact O-CD2 3.32Å; M201-Y205 PolarHBondContact O-N 3.39Å; M201-L244 HydrophobicContact SD-CD2 3.77Å; M201-F247 HydrophobicContact CE-CE1 4.47Å |
| 202 | V | 87.3 | Confident | 87 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 35% | 0.352 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.4 | -46.3 | 178.6 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | F198 L199 V204 Y205 I206 V248 | F198-V202 WeakPolarHBondContact O-CG2 3.3Å; F198-V202 PolarHBondContact O-N 3.1Å; L199-V202 PolarHBondContact O-N 3.1Å; V202-V204 PolarHBondContact O-N 3.31Å; V202-Y205 PolarHBondContact O-N 3.31Å; V202-I206 HydrophobicContact CG1-CD1 3.61Å; V202-I206 HydrophobicContact CG1-CG1 4.22Å; V202-I206 WeakPolarHBondContact O-CB 3.49Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.35Å; V202-I206 PolarHBondContact O-N 3.48Å; V202-V248 HydrophobicContact CG2-CG1 4.36Å; V202-V248 HydrophobicContact CG2-CG2 4.1Å |
| 203 | A | 88.3 | Confident | 86.1 | Confident | 55 Ų | 55 | 61.1 Ų | 61.1 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L199 L200 M201 Y205 I206 R207 | L199-A203 WeakPolarHBondContact O-CB 3.23Å; L199-A203 PolarHBondContact O-N 2.95Å; L200-A203 PolarHBondContact O-N 2.82Å; M201-A203 VanDerWaalsContact C-N 3.33Å; M201-A203 PolarHBondContact O-N 3.15Å; A203-Y205 VanDerWaalsContact C-N 3.32Å; A203-Y205 PolarHBondContact O-N 2.84Å; A203-I206 PolarHBondContact O-N 3.33Å; A203-R207 WeakPolarHBondContact O-CB 3.1Å; A203-R207 PolarHBondContact O-N 3.06Å |
| 204 | V | 83.8 | Confident | 85.6 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 175.6 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | H127 L200 M201 V202 R207 I208 | H127-V204 HydrophobicContact CB-CG1 4.25Å; L200-V204 HydrophobicContact CD1-CG2 4.3Å; L200-V204 WeakPolarHBondContact O-CG2 3.47Å; L200-V204 PolarHBondContact O-N 3.47Å; M201-V204 PolarHBondContact O-N 3.45Å; V202-V204 PolarHBondContact O-N 3.31Å; V204-R207 WeakPolarHBondContact O-CB 3.31Å; V204-R207 PolarHBondContact O-N 3.29Å; V204-I208 HydrophobicContact CG1-CD1 3.82Å; V204-I208 HydrophobicContact CG1-CG1 4.48Å; V204-I208 VanDerWaalsContact O-CG1 3.28Å; V204-I208 WeakPolarHBondContact O-CG1 3.24Å; V204-I208 PolarHBondContact O-N 3.2Å |
| 205 | Y | 79.5 | Confident | 84.8 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 7% | 0.071 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.7 | -39.2 | -179.5 | -78.3 | -64.1 | 0 | 0 | 0 | 113.9 | A123 M201 V202 A203 R207 I208 F209 V240 V241 L244 | A123-Y205 WeakPolarHBondContact CA-OH 3.43Å; A123-Y205 HydrophobicContact CB-CE2 3.73Å; A123-Y205 WeakPolarHBondContact CB-OH 3.24Å; A123-Y205 PolarHBondContact N-OH 3.01Å; M201-Y205 HydrophobicContact CB-CD2 4.47Å; M201-Y205 HydrophobicContact CB-CE2 4.44Å; M201-Y205 WeakPolarHBondContact O-CD2 3.32Å; M201-Y205 PolarHBondContact O-N 3.39Å; V202-Y205 PolarHBondContact O-N 3.31Å; A203-Y205 VanDerWaalsContact C-N 3.32Å; A203-Y205 PolarHBondContact O-N 2.84Å; Y205-R207 VanDerWaalsContact C-N 3.27Å; Y205-R207 PolarHBondContact O-N 2.88Å; Y205-I208 HydrophobicContact CD1-CD1 4.26Å; Y205-I208 HydrophobicContact CE1-CD1 4.31Å; Y205-I208 PolarHBondContact O-N 2.83Å; Y205-F209 VanDerWaalsContact O-CB 3.32Å; Y205-F209 WeakPolarHBondContact O-CB 3.41Å; Y205-F209 PolarHBondContact O-N 3.39Å; Y205-V240 HydrophobicContact CE1-CG1 3.52Å; Y205-V240 WeakPolarHBondContact OH-CG1 3.5Å; Y205-V241 HydrophobicContact CD1-CG2 4.18Å; Y205-L244 HydrophobicContact CD2-CB 4.39Å; Y205-L244 HydrophobicContact CD2-CD1 4.15Å; Y205-L244 HydrophobicContact CE1-CD1 3.8Å; Y205-L244 HydrophobicContact CE2-CB 4.18Å; Y205-L244 HydrophobicContact CE2-CD1 3.33Å; Y205-L244 HydrophobicContact CE2-CD2 3.68Å; Y205-L244 HydrophobicContact CE2-CG 3.89Å; Y205-L244 WeakPolarHBondContact OH-CD1 3.41Å |
| 206 | I | 84.1 | Confident | 83.7 | Confident | 88 Ų | 88 | 68.2 Ų | 68.2 | 45% | 0.451 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 172 | -72.2 | 172.2 | 0 | 0 | 0 | 109.3 | V202 A203 I208 F209 F210 | V202-I206 HydrophobicContact CG1-CD1 3.61Å; V202-I206 HydrophobicContact CG1-CG1 4.22Å; V202-I206 WeakPolarHBondContact O-CB 3.49Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.35Å; V202-I206 PolarHBondContact O-N 3.48Å; A203-I206 PolarHBondContact O-N 3.33Å; I206-I208 PolarHBondContact O-N 2.97Å; I206-F209 PolarHBondContact O-N 2.89Å; I206-F210 HydrophobicContact CG2-CD2 3.56Å; I206-F210 HydrophobicContact CG2-CE2 3.54Å; I206-F210 VanDerWaalsContact O-CD2 3.24Å; I206-F210 WeakPolarHBondContact O-CD2 3.38Å; I206-F210 PolarHBondContact O-N 3.19Å |
| 207 | R | 84.8 | Confident | 82.8 | Confident | 162 Ų | 162 | 67.9 Ų | 67.9 | 61% | 0.611 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.6 | -46.1 | 176.9 | -174.5 | -178.7 | 177.9 | 173.7 | 1 | 112.3 | A203 V204 Y205 Y211 | A203-R207 WeakPolarHBondContact O-CB 3.1Å; A203-R207 PolarHBondContact O-N 3.06Å; V204-R207 WeakPolarHBondContact O-CB 3.31Å; V204-R207 PolarHBondContact O-N 3.29Å; Y205-R207 VanDerWaalsContact C-N 3.27Å; Y205-R207 PolarHBondContact O-N 2.88Å; R207-Y211 VanDerWaalsContact O-CB 3.25Å; R207-Y211 WeakPolarHBondContact O-CB 3.41Å; R207-Y211 PolarHBondContact O-N 3.45Å |
| 208 | I | 79.6 | Confident | 82 | Confident | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 177.4 | -69.5 | 166.3 | 0 | 0 | 0 | 110.5 | R126 H127 V130 V204 Y205 I206 Y211 V212 V237 | R126-I208 HydrophobicContact CB-CD1 4.41Å; H127-I208 HydrophobicContact CB-CD1 4.1Å; V130-I208 HydrophobicContact CG1-CG2 4.47Å; V130-I208 HydrophobicContact CG2-CG2 4.41Å; V204-I208 HydrophobicContact CG1-CD1 3.82Å; V204-I208 HydrophobicContact CG1-CG1 4.48Å; V204-I208 VanDerWaalsContact O-CG1 3.28Å; V204-I208 WeakPolarHBondContact O-CG1 3.24Å; V204-I208 PolarHBondContact O-N 3.2Å; Y205-I208 HydrophobicContact CD1-CD1 4.26Å; Y205-I208 HydrophobicContact CE1-CD1 4.31Å; Y205-I208 PolarHBondContact O-N 2.83Å; I206-I208 PolarHBondContact O-N 2.97Å; I208-Y211 PolarHBondContact O-N 3.47Å; I208-V212 HydrophobicContact CG2-CG2 4.33Å; I208-V212 VanDerWaalsContact O-CG2 3.3Å; I208-V212 WeakPolarHBondContact O-CG2 3.48Å; I208-V212 PolarHBondContact O-N 3.44Å; I208-V237 HydrophobicContact CG2-CG1 4.26Å |
| 209 | F | 79.9 | Confident | 80.8 | Confident | 78 Ų | 78 | 78.2 Ų | 78.2 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.8 | -49.4 | -178.5 | -179.8 | -99.6 | 0 | 0 | 0 | 111.8 | Y205 I206 V212 R213 | Y205-F209 VanDerWaalsContact O-CB 3.32Å; Y205-F209 WeakPolarHBondContact O-CB 3.41Å; Y205-F209 PolarHBondContact O-N 3.39Å; I206-F209 PolarHBondContact O-N 2.89Å; F209-V212 PolarHBondContact O-N 3.19Å; F209-R213 VanDerWaalsContact CE1-CD 3.5Å; F209-R213 HydrophobicContact CE1-CG 4.27Å; F209-R213 HydrophobicContact CZ-CG 4.3Å; F209-R213 WeakPolarHBondContact O-CB 3.25Å; F209-R213 PolarHBondContact O-N 3.36Å |
| 210 | F | 82.9 | Confident | 79.6 | Confident | 106 Ų | 106 | 75.5 Ų | 75.5 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 177.3 | -79 | -62.6 | 0 | 0 | 0 | 112.6 | I206 R213 R214 | I206-F210 HydrophobicContact CG2-CD2 3.56Å; I206-F210 HydrophobicContact CG2-CE2 3.54Å; I206-F210 VanDerWaalsContact O-CD2 3.24Å; I206-F210 WeakPolarHBondContact O-CD2 3.38Å; I206-F210 PolarHBondContact O-N 3.19Å; F210-R213 PolarHBondContact O-N 2.9Å; F210-R214 WeakPolarHBondContact O-CB 3.32Å; F210-R214 VanDerWaalsContact O-CG 3.31Å; F210-R214 WeakPolarHBondContact O-CG 3.37Å; F210-R214 PolarHBondContact O-N 2.95Å |
| 211 | Y | 81.9 | Confident | 78.4 | Confident | 75 Ų | 75 | 78.5 Ų | 78.5 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 175.8 | 175.2 | -90.9 | 0 | 0 | 0 | 111.8 | V130 M131 R207 I208 R214 R215 | V130-Y211 HydrophobicContact CG1-CD1 3.8Å; V130-Y211 HydrophobicContact CG1-CE1 3.91Å; M131-Y211 HydrophobicContact CE-CD1 3.22Å; M131-Y211 HydrophobicContact CE-CD2 3.74Å; M131-Y211 HydrophobicContact CE-CE1 3.37Å; M131-Y211 HydrophobicContact CE-CE2 3.87Å; M131-Y211 HydrophobicContact CE-CG 3.41Å; M131-Y211 VanDerWaalsContact CE-CG 3.41Å; M131-Y211 HydrophobicContact SD-CD2 4.16Å; M131-Y211 HydrophobicContact SD-CE1 4.41Å; M131-Y211 HydrophobicContact SD-CE2 4.01Å; M131-Y211 HydrophobicContact SD-CG 4.41Å; R207-Y211 VanDerWaalsContact O-CB 3.25Å; R207-Y211 WeakPolarHBondContact O-CB 3.41Å; R207-Y211 PolarHBondContact O-N 3.45Å; I208-Y211 PolarHBondContact O-N 3.47Å; Y211-R214 PolarHBondContact O-N 3.17Å; Y211-R215 VanDerWaalsContact O-CB 3.31Å; Y211-R215 WeakPolarHBondContact O-CB 3.29Å; Y211-R215 PolarHBondContact O-N 3.47Å |
| 212 | V | 75.2 | Confident | 77.2 | Confident | 10 Ų | 10 | 86.1 Ų | 86.1 | 6% | 0.061 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 179.7 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | V130 I208 F209 R215 V216 L234 V237 | V130-V212 HydrophobicContact CG1-CG2 3.66Å; I208-V212 HydrophobicContact CG2-CG2 4.33Å; I208-V212 VanDerWaalsContact O-CG2 3.3Å; I208-V212 WeakPolarHBondContact O-CG2 3.48Å; I208-V212 PolarHBondContact O-N 3.44Å; F209-V212 PolarHBondContact O-N 3.19Å; V212-R215 PolarHBondContact O-N 3.03Å; V212-V216 HydrophobicContact CG1-CG2 4.23Å; V212-V216 WeakPolarHBondContact O-CB 3.31Å; V212-V216 VanDerWaalsContact O-CG2 3.28Å; V212-V216 WeakPolarHBondContact O-CG2 3.5Å; V212-V216 PolarHBondContact O-N 2.95Å; V212-L234 HydrophobicContact CG1-CD2 3.63Å; V212-V237 HydrophobicContact CG2-CG2 4.46Å |
| 213 | R | 78.3 | Confident | 75.8 | Confident | 127 Ų | 127 | 87.8 Ų | 87.8 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.8 | -53.8 | 175.7 | -84.1 | -166 | 156.2 | -163.8 | -5.5 | 112.5 | F209 F210 R215 V216 E217 | F209-R213 VanDerWaalsContact CE1-CD 3.5Å; F209-R213 HydrophobicContact CE1-CG 4.27Å; F209-R213 HydrophobicContact CZ-CG 4.3Å; F209-R213 WeakPolarHBondContact O-CB 3.25Å; F209-R213 PolarHBondContact O-N 3.36Å; F210-R213 PolarHBondContact O-N 2.9Å; R213-R215 PolarHBondContact O-N 2.93Å; R213-V216 WeakPolarHBondContact O-CB 3.12Å; R213-V216 PolarHBondContact O-N 3.07Å; R213-V216 VanDerWaalsContact O-N 3.11Å; R213-E217 WeakPolarHBondContact O-CG 3.16Å; R213-E217 PolarHBondContact O-N 2.92Å |
| 214 | R | 81.8 | Confident | 74.4 | Confident | 155 Ų | 155 | 91.7 Ų | 91.7 | 59% | 0.585 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.2 | -33.7 | 178.8 | -71.7 | 179.9 | -174.9 | -172.3 | 2.4 | 112.6 | F210 Y211 R218 | F210-R214 WeakPolarHBondContact O-CB 3.32Å; F210-R214 VanDerWaalsContact O-CG 3.31Å; F210-R214 WeakPolarHBondContact O-CG 3.37Å; F210-R214 PolarHBondContact O-N 2.95Å; Y211-R214 PolarHBondContact O-N 3.17Å; R214-R218 WeakPolarHBondContact O-CB 3.18Å; R214-R218 WeakPolarHBondContact O-CG 3.34Å; R214-R218 PolarHBondContact O-N 2.91Å; R214-R218 VanDerWaalsContact O-N 3.15Å |
| 215 | R | 74.9 | Confident | 72.9 | Confident | 59 Ų | 59 | 93.9 Ų | 93.9 | 22% | 0.223 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -74.2 | -40.5 | 178.2 | -171.7 | 176 | -172.9 | 179.3 | 5.4 | 111.8 | Y211 V212 R213 M219 | Y211-R215 VanDerWaalsContact O-CB 3.31Å; Y211-R215 WeakPolarHBondContact O-CB 3.29Å; Y211-R215 PolarHBondContact O-N 3.47Å; V212-R215 PolarHBondContact O-N 3.03Å; R213-R215 PolarHBondContact O-N 2.93Å; R215-M219 HydrophobicContact CG-CE 4.1Å; R215-M219 HydrophobicContact CG-CG 4.5Å; R215-M219 HydrophobicContact CG-SD 3.96Å; R215-M219 WeakPolarHBondContact O-CB 3.47Å; R215-M219 VanDerWaalsContact O-CG 3.24Å; R215-M219 WeakPolarHBondContact O-CG 3.21Å; R215-M219 PolarHBondContact O-N 3.31Å |
| 216 | V | 71.7 | Confident | 72 | Confident | 33 Ų | 33 | 99.4 Ų | 99.4 | 20% | 0.2 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.2 | 161 | 0 | 0 | 0 | 0 | 111.3 | V212 R213 M219 A220 R230 L234 | V212-V216 HydrophobicContact CG1-CG2 4.23Å; V212-V216 WeakPolarHBondContact O-CB 3.31Å; V212-V216 VanDerWaalsContact O-CG2 3.28Å; V212-V216 WeakPolarHBondContact O-CG2 3.5Å; V212-V216 PolarHBondContact O-N 2.95Å; R213-V216 WeakPolarHBondContact O-CB 3.12Å; R213-V216 PolarHBondContact O-N 3.07Å; R213-V216 VanDerWaalsContact O-N 3.11Å; V216-M219 PolarHBondContact O-N 3.35Å; V216-A220 PolarHBondContact O-N 3.09Å; V216-A220 VanDerWaalsContact O-N 3.13Å; V216-R230 HydrophobicContact CG1-CG 3.88Å; V216-R230 HydrophobicContact CG2-CG 3.99Å; V216-L234 HydrophobicContact CG2-CD1 4.49Å |
| 217 | E | 76.1 | Confident | 71 | Confident | 113 Ų | 113 | 98.9 Ų | 98.9 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.9 | -50.9 | 176 | -72.7 | 159.9 | -170.4 | 0 | 0 | 110.8 | R213 M219 A220 | R213-E217 WeakPolarHBondContact O-CG 3.16Å; R213-E217 PolarHBondContact O-N 2.92Å; E217-M219 VanDerWaalsContact C-N 3.35Å; E217-M219 PolarHBondContact O-N 3.11Å; E217-A220 WeakPolarHBondContact O-CB 3.29Å; E217-A220 PolarHBondContact O-N 3.49Å; E217-A220 VanDerWaalsContact O-N 3.17Å |
| 218 | R | 74.3 | Confident | 70 | Confident | 164 Ų | 164 | 100.7 Ų | 100.7 | 62% | 0.619 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.8 | -33.6 | 177.5 | -76.4 | -168.7 | -84.4 | -171 | -4.7 | 114.6 | R214 A220 E221 | R214-R218 WeakPolarHBondContact O-CB 3.18Å; R214-R218 WeakPolarHBondContact O-CG 3.34Å; R214-R218 PolarHBondContact O-N 2.91Å; R214-R218 VanDerWaalsContact O-N 3.15Å; R218-A220 VanDerWaalsContact C-N 3.33Å; R218-E221 PolarHBondContact O-N 3.42Å |
| 219 | M | 67 | Low | 69.2 | Low | 94 Ų | 94 | 104.9 Ų | 104.9 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.5 | -26.2 | 177 | -76 | 176 | 162.1 | 0 | 0 | 112.6 | R215 V216 E217 E221 V223 | R215-M219 HydrophobicContact CG-CE 4.1Å; R215-M219 HydrophobicContact CG-CG 4.5Å; R215-M219 HydrophobicContact CG-SD 3.96Å; R215-M219 WeakPolarHBondContact O-CB 3.47Å; R215-M219 VanDerWaalsContact O-CG 3.24Å; R215-M219 WeakPolarHBondContact O-CG 3.21Å; R215-M219 PolarHBondContact O-N 3.31Å; V216-M219 PolarHBondContact O-N 3.35Å; E217-M219 VanDerWaalsContact C-N 3.35Å; E217-M219 PolarHBondContact O-N 3.11Å; M219-E221 PolarHBondContact O-N 3.49Å; M219-V223 PolarHBondContact O-N 3.33Å |
| 220 | A | 65.1 | Low | 68.5 | Low | 61 Ų | 61 | 106.5 Ų | 106.5 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -24.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V216 E217 R218 | V216-A220 PolarHBondContact O-N 3.09Å; V216-A220 VanDerWaalsContact O-N 3.13Å; E217-A220 WeakPolarHBondContact O-CB 3.29Å; E217-A220 PolarHBondContact O-N 3.49Å; E217-A220 VanDerWaalsContact O-N 3.17Å; R218-A220 VanDerWaalsContact C-N 3.33Å |
| 221 | E | 63.9 | Low | 67.8 | Low | 154 Ų | 154 | 107 Ų | 107 | 72% | 0.72 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -80.1 | -26.9 | 179 | -68.9 | 176.9 | 161.6 | 0 | 0 | 113.4 | R218 M219 | R218-E221 PolarHBondContact O-N 3.42Å; M219-E221 PolarHBondContact O-N 3.49Å |
| 222 | H | 61.4 | Low | 67.1 | Low | 161 Ų | 161 | 107 Ų | 107 | 75% | 0.745 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -113.2 | -14.8 | -169 | -81.4 | -77.2 | 0 | 0 | 0 | 116.3 | ||
| 223 | V | 58.5 | Low | 66.6 | Low | 94 Ų | 94 | 107.9 Ų | 107.9 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | trans | -145.7 | 122.6 | -178.2 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | M219 C225 | M219-V223 PolarHBondContact O-N 3.33Å; V223-C225 HydrophobicContact CG1-CB 4.17Å; V223-C225 WeakPolarHBondContact CG1-O 3.37Å; V223-C225 PolarHBondContact O-N 2.87Å | ||
| 224 | S | 58.8 | Low | 66.2 | Low | 137 Ų | 137 | 104.8 Ų | 104.8 | 96% | 0.958 | 52% | 0.515 | S | S | * | . | trans | -76.8 | 31.9 | 175.5 | 38.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 225 | C | 52.2 | Low | 65.6 | Low | 79 Ų | 79 | 100 Ų | 100 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | trans | -163.1 | 124.4 | -176 | -163.6 | 0 | 0 | 0 | 0 | 109.1 | V223 | V223-C225 HydrophobicContact CG1-CB 4.17Å; V223-C225 WeakPolarHBondContact CG1-O 3.37Å; V223-C225 PolarHBondContact O-N 2.87Å | ||
| 226 | H | 60.6 | Low | 65.2 | Low | 134 Ų | 134 | 101 Ų | 101 | 62% | 0.62 | 51% | 0.514 | S | S | * | . | cis | -135.8 | 117.4 | 23 | -91.3 | -37.1 | 0 | 0 | 0 | 111.1 | R228 Y229 | H226-R228 PolarHBondContact O-N 2.88Å; H226-Y229 PolarHBondContact O-N 3.28Å | ||
| 227 | P | 62.9 | Low | 65.2 | Low | 77 Ų | 77 | 100.4 Ų | 100.4 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.8 | -32.7 | 174.1 | 20.3 | -30.4 | 0 | 0 | 0 | 112.7 | Y229 R230 E231 | P227-Y229 PolarHBondContact O-N 3.34Å; P227-R230 PolarHBondContact O-N 3.47Å; P227-E231 WeakPolarHBondContact O-CG 3.45Å; P227-E231 PolarHBondContact O-N 3.05Å |
| 228 | R | 63.1 | Low | 65.1 | Low | 200 Ų | 200 | 101 Ų | 101 | 76% | 0.755 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.6 | -37.2 | -177.6 | -144 | 172.9 | -166.3 | 162 | 4.1 | 114 | H226 T232 | H226-R228 PolarHBondContact O-N 2.88Å; R228-T232 WeakPolarHBondContact O-CB 3.35Å; R228-T232 PolarHBondContact O-N 3.17Å; R228-T232 PolarHBondContact O-OG1 3.31Å |
| 229 | Y | 63.6 | Low | 65.1 | Low | 92 Ų | 92 | 94.2 Ų | 94.2 | 36% | 0.361 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.4 | -41.7 | 177.2 | 174 | -94.4 | 0 | 0 | 0 | 111.6 | L135 H226 P227 T232 T233 | L135-Y229 HydrophobicContact CB-CE2 4.48Å; L135-Y229 HydrophobicContact CD1-CD2 4.24Å; L135-Y229 HydrophobicContact CD1-CE2 3.53Å; L135-Y229 HydrophobicContact CD2-CD2 4.26Å; L135-Y229 HydrophobicContact CD2-CE2 3.96Å; L135-Y229 HydrophobicContact CG-CE2 4.18Å; H226-Y229 PolarHBondContact O-N 3.28Å; P227-Y229 PolarHBondContact O-N 3.34Å; Y229-T232 PolarHBondContact O-N 3.41Å; Y229-T233 WeakPolarHBondContact O-CB 3.46Å; Y229-T233 PolarHBondContact O-N 2.92Å; Y229-T233 PolarHBondContact O-OG1 2.84Å |
| 230 | R | 65 | Low | 65.3 | Low | 111 Ų | 111 | 90.5 Ų | 90.5 | 42% | 0.419 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 174.1 | 175.9 | 175.3 | 73.3 | 169.6 | 9.1 | 111.1 | V216 P227 T233 L234 | V216-R230 HydrophobicContact CG1-CG 3.88Å; V216-R230 HydrophobicContact CG2-CG 3.99Å; P227-R230 PolarHBondContact O-N 3.47Å; R230-T233 PolarHBondContact O-N 3.35Å; R230-L234 HydrophobicContact CG-CD1 3.81Å; R230-L234 WeakPolarHBondContact O-CB 3.36Å; R230-L234 VanDerWaalsContact O-CG 3.27Å; R230-L234 WeakPolarHBondContact O-CG 3.23Å; R230-L234 PolarHBondContact O-N 2.58Å |
| 231 | E | 67.9 | Low | 65.9 | Low | 116 Ų | 116 | 90 Ų | 90 | 54% | 0.542 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 178.4 | -75.4 | 171.8 | -170.3 | 0 | 0 | 112.5 | P227 S235 | P227-E231 WeakPolarHBondContact O-CG 3.45Å; P227-E231 PolarHBondContact O-N 3.05Å; E231-S235 WeakPolarHBondContact O-CB 3.4Å; E231-S235 PolarHBondContact O-N 3.15Å |
| 232 | T | 66.4 | Low | 66.6 | Low | 76 Ų | 76 | 85.6 Ų | 85.6 | 47% | 0.466 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65 | -45.6 | -179.7 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | R228 Y229 S235 L236 | R228-T232 WeakPolarHBondContact O-CB 3.35Å; R228-T232 PolarHBondContact O-N 3.17Å; R228-T232 PolarHBondContact O-OG1 3.31Å; Y229-T232 PolarHBondContact O-N 3.41Å; T232-S235 PolarHBondContact O-N 3.29Å; T232-L236 HydrophobicContact CG2-CD1 4.44Å; T232-L236 WeakPolarHBondContact O-CG 3.36Å; T232-L236 PolarHBondContact O-N 2.84Å; T232-L236 VanDerWaalsContact O-N 3.09Å |
| 233 | T | 65.3 | Low | 67.5 | Low | 29 Ų | 29 | 78.2 Ų | 78.2 | 18% | 0.178 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 179.3 | -56 | 0 | 0 | 0 | 0 | 111.5 | Y229 R230 L236 V237 | Y229-T233 WeakPolarHBondContact O-CB 3.46Å; Y229-T233 PolarHBondContact O-N 2.92Å; Y229-T233 PolarHBondContact O-OG1 2.84Å; R230-T233 PolarHBondContact O-N 3.35Å; T233-L236 PolarHBondContact O-N 3.37Å; T233-V237 WeakPolarHBondContact O-CG2 3.39Å; T233-V237 PolarHBondContact O-N 3.07Å; T233-V237 VanDerWaalsContact O-N 3.12Å |
| 234 | L | 69.8 | Low | 68.6 | Low | 61 Ų | 61 | 74 Ų | 74 | 32% | 0.319 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 177.2 | -72.4 | 172.1 | 0 | 0 | 0 | 112.3 | V212 V216 R230 V237 K238 | V212-L234 HydrophobicContact CG1-CD2 3.63Å; V216-L234 HydrophobicContact CG2-CD1 4.49Å; R230-L234 HydrophobicContact CG-CD1 3.81Å; R230-L234 WeakPolarHBondContact O-CB 3.36Å; R230-L234 VanDerWaalsContact O-CG 3.27Å; R230-L234 WeakPolarHBondContact O-CG 3.23Å; R230-L234 PolarHBondContact O-N 2.58Å; L234-V237 PolarHBondContact O-N 2.89Å; L234-K238 WeakPolarHBondContact O-CB 3.46Å; L234-K238 PolarHBondContact O-N 3.05Å |
| 235 | S | 69.8 | Low | 69.8 | Low | 54 Ų | 54 | 69.1 Ų | 69.1 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | E231 T232 K238 T239 | E231-S235 WeakPolarHBondContact O-CB 3.4Å; E231-S235 PolarHBondContact O-N 3.15Å; T232-S235 PolarHBondContact O-N 3.29Å; S235-K238 PolarHBondContact O-N 3.15Å; S235-T239 WeakPolarHBondContact O-CB 3.39Å; S235-T239 PolarHBondContact O-N 2.82Å; S235-T239 PolarHBondContact O-OG1 3.28Å |
| 236 | L | 66.6 | Low | 71.5 | Confident | 81 Ų | 81 | 66.4 Ų | 66.4 | 42% | 0.424 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 176.4 | -70.5 | 172.2 | 0 | 0 | 0 | 111.8 | T232 T233 K238 T239 V240 | T232-L236 HydrophobicContact CG2-CD1 4.44Å; T232-L236 WeakPolarHBondContact O-CG 3.36Å; T232-L236 PolarHBondContact O-N 2.84Å; T232-L236 VanDerWaalsContact O-N 3.09Å; T233-L236 PolarHBondContact O-N 3.37Å; L236-K238 PolarHBondContact O-N 3.38Å; L236-T239 PolarHBondContact O-N 3.34Å; L236-V240 WeakPolarHBondContact O-CG2 3.26Å; L236-V240 PolarHBondContact O-N 3.03Å; L236-V240 VanDerWaalsContact O-N 3.13Å |
| 237 | V | 71.1 | Confident | 72.9 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 13% | 0.127 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I208 V212 T233 L234 T239 V240 V241 | I208-V237 HydrophobicContact CG2-CG1 4.26Å; V212-V237 HydrophobicContact CG2-CG2 4.46Å; T233-V237 WeakPolarHBondContact O-CG2 3.39Å; T233-V237 PolarHBondContact O-N 3.07Å; T233-V237 VanDerWaalsContact O-N 3.12Å; L234-V237 PolarHBondContact O-N 2.89Å; V237-T239 VanDerWaalsContact C-N 3.31Å; V237-T239 PolarHBondContact O-N 3.17Å; V237-V240 PolarHBondContact O-N 2.95Å; V237-V241 HydrophobicContact CG1-CG2 4.21Å; V237-V241 WeakPolarHBondContact O-CB 3.4Å; V237-V241 VanDerWaalsContact O-CG2 3.27Å; V237-V241 WeakPolarHBondContact O-CG2 3.41Å; V237-V241 PolarHBondContact O-N 3.17Å |
| 238 | K | 74.8 | Confident | 74.3 | Confident | 126 Ų | 126 | 57.8 Ų | 57.8 | 55% | 0.548 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 177.6 | -176.4 | 175 | -178.8 | 175.5 | 0 | 112.6 | L234 S235 L236 I242 | L234-K238 WeakPolarHBondContact O-CB 3.46Å; L234-K238 PolarHBondContact O-N 3.05Å; S235-K238 PolarHBondContact O-N 3.15Å; L236-K238 PolarHBondContact O-N 3.38Å; K238-I242 HydrophobicContact CG-CD1 4.03Å; K238-I242 WeakPolarHBondContact O-CB 3.2Å; K238-I242 WeakPolarHBondContact O-CG1 3.38Å; K238-I242 PolarHBondContact O-N 2.94Å |
| 239 | T | 72.6 | Confident | 75.6 | Confident | 21 Ų | 21 | 53 Ų | 53 | 13% | 0.129 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 177.7 | -61 | 0 | 0 | 0 | 0 | 111.2 | S235 L236 V237 I242 I243 V291 R295 | S235-T239 WeakPolarHBondContact O-CB 3.39Å; S235-T239 PolarHBondContact O-N 2.82Å; S235-T239 PolarHBondContact O-OG1 3.28Å; L236-T239 PolarHBondContact O-N 3.34Å; V237-T239 VanDerWaalsContact C-N 3.31Å; V237-T239 PolarHBondContact O-N 3.17Å; T239-I242 PolarHBondContact O-N 3.39Å; T239-I243 HydrophobicContact CG2-CD1 4.23Å; T239-I243 PolarHBondContact O-N 3.3Å; T239-I243 VanDerWaalsContact O-N 3.1Å; T239-V291 HydrophobicContact CG2-CG1 3.53Å; T239-R295 HydrophobicContact CG2-CB 4.12Å; T239-R295 HydrophobicContact CG2-CG 4.18Å; T239-R295 WeakPolarHBondContact OG1-CD 3.25Å |
| 240 | V | 71.8 | Confident | 77 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | I122 R126 Y205 L236 V237 I242 I243 L244 | I122-V240 HydrophobicContact CG2-CG1 4.42Å; R126-V240 HydrophobicContact CG-CG1 4.47Å; Y205-V240 HydrophobicContact CE1-CG1 3.52Å; Y205-V240 WeakPolarHBondContact OH-CG1 3.5Å; L236-V240 WeakPolarHBondContact O-CG2 3.26Å; L236-V240 PolarHBondContact O-N 3.03Å; L236-V240 VanDerWaalsContact O-N 3.13Å; V237-V240 PolarHBondContact O-N 2.95Å; V240-I242 PolarHBondContact O-N 3.4Å; V240-I242 VanDerWaalsContact O-N 3.15Å; V240-I243 PolarHBondContact O-N 3.31Å; V240-I243 VanDerWaalsContact O-N 3.1Å; V240-L244 HydrophobicContact CB-CD1 4.39Å; V240-L244 HydrophobicContact CG1-CD1 3.24Å; V240-L244 WeakPolarHBondContact O-CD1 3Å; V240-L244 PolarHBondContact O-N 2.04Å |
| 241 | V | 77.6 | Confident | 78.4 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54.2 | -38.2 | 177 | 168.1 | 0 | 0 | 0 | 0 | 112.3 | Y205 V237 G245 | Y205-V241 HydrophobicContact CD1-CG2 4.18Å; V237-V241 HydrophobicContact CG1-CG2 4.21Å; V237-V241 WeakPolarHBondContact O-CB 3.4Å; V237-V241 VanDerWaalsContact O-CG2 3.27Å; V237-V241 WeakPolarHBondContact O-CG2 3.41Å; V237-V241 PolarHBondContact O-N 3.17Å; V241-G245 WeakPolarHBondContact O-CA 3.3Å; V241-G245 PolarHBondContact O-N 3.14Å |
| 242 | I | 79.6 | Confident | 79.6 | Confident | 60 Ų | 60 | 41.8 Ų | 41.8 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.8 | -42.6 | 179.1 | -75.9 | 172.2 | 0 | 0 | 0 | 112 | K238 T239 V240 L244 A246 V291 | K238-I242 HydrophobicContact CG-CD1 4.03Å; K238-I242 WeakPolarHBondContact O-CB 3.2Å; K238-I242 WeakPolarHBondContact O-CG1 3.38Å; K238-I242 PolarHBondContact O-N 2.94Å; T239-I242 PolarHBondContact O-N 3.39Å; V240-I242 PolarHBondContact O-N 3.4Å; V240-I242 VanDerWaalsContact O-N 3.15Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 3.49Å; I242-A246 VanDerWaalsContact O-CB 3.3Å; I242-A246 WeakPolarHBondContact O-CB 3.34Å; I242-A246 PolarHBondContact O-N 2.94Å; I242-V291 HydrophobicContact CG2-CG2 3.78Å |
| 243 | I | 80 | Confident | 81 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.2 | -48.3 | 175.5 | -74.7 | 163.3 | 0 | 0 | 0 | 110.5 | L71 L119 T239 V240 F247 N288 V291 Y292 | L71-I243 HydrophobicContact CD2-CG2 4.39Å; L119-I243 HydrophobicContact CD2-CG2 4.08Å; T239-I243 HydrophobicContact CG2-CD1 4.23Å; T239-I243 PolarHBondContact O-N 3.3Å; T239-I243 VanDerWaalsContact O-N 3.1Å; V240-I243 PolarHBondContact O-N 3.31Å; V240-I243 VanDerWaalsContact O-N 3.1Å; I243-F247 PolarHBondContact O-N 3.36Å; I243-N288 WeakPolarHBondContact CG2-OD1 3.15Å; I243-V291 HydrophobicContact CD1-CB 4.31Å; I243-V291 HydrophobicContact CD1-CG1 3.82Å; I243-V291 HydrophobicContact CG1-CB 3.93Å; I243-V291 HydrophobicContact CG1-CG1 3.72Å; I243-V291 HydrophobicContact CG1-CG2 4.11Å; I243-Y292 HydrophobicContact CD1-CD1 4.3Å; I243-Y292 HydrophobicContact CD1-CE1 3.51Å |
| 244 | L | 80.9 | Confident | 82.3 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -75.4 | -35.8 | -177.3 | -73.1 | 130.5 | 0 | 0 | 0 | 113.2 | L119 M201 Y205 V240 I242 A246 F247 V248 | L119-L244 HydrophobicContact CB-CD2 3.74Å; L119-L244 HydrophobicContact CD1-CD2 4.23Å; L119-L244 HydrophobicContact CD2-CD2 3.74Å; L119-L244 HydrophobicContact CD2-CG 4.02Å; L119-L244 HydrophobicContact CG-CD2 4.1Å; M201-L244 HydrophobicContact SD-CD2 3.77Å; Y205-L244 HydrophobicContact CD2-CB 4.39Å; Y205-L244 HydrophobicContact CD2-CD1 4.15Å; Y205-L244 HydrophobicContact CE1-CD1 3.8Å; Y205-L244 HydrophobicContact CE2-CB 4.18Å; Y205-L244 HydrophobicContact CE2-CD1 3.33Å; Y205-L244 HydrophobicContact CE2-CD2 3.68Å; Y205-L244 HydrophobicContact CE2-CG 3.89Å; Y205-L244 WeakPolarHBondContact OH-CD1 3.41Å; V240-L244 HydrophobicContact CB-CD1 4.39Å; V240-L244 HydrophobicContact CG1-CD1 3.24Å; V240-L244 WeakPolarHBondContact O-CD1 3Å; V240-L244 PolarHBondContact O-N 2.04Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 3.49Å; L244-A246 VanDerWaalsContact C-N 3.35Å; L244-F247 WeakPolarHBondContact O-CB 3.42Å; L244-F247 PolarHBondContact O-N 3.43Å; L244-V248 WeakPolarHBondContact O-CG2 3.29Å; L244-V248 PolarHBondContact O-N 2.96Å |
| 245 | G | 85.1 | Confident | 83.5 | Confident | 34 Ų | 34 | 36.6 Ų | 36.6 | 35% | 0.351 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V241 F247 V248 V249 | V241-G245 WeakPolarHBondContact O-CA 3.3Å; V241-G245 PolarHBondContact O-N 3.14Å; G245-F247 VanDerWaalsContact C-N 3.35Å; G245-F247 PolarHBondContact O-N 3.08Å; G245-V248 PolarHBondContact O-N 3.05Å; G245-V249 WeakPolarHBondContact O-CB 3.06Å; G245-V249 VanDerWaalsContact O-CG2 3.28Å; G245-V249 WeakPolarHBondContact O-CG2 3.4Å; G245-V249 PolarHBondContact O-N 2.87Å |
| 246 | A | 88.2 | Confident | 84.8 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I242 L244 V248 V249 C250 V287 | I242-A246 VanDerWaalsContact O-CB 3.3Å; I242-A246 WeakPolarHBondContact O-CB 3.34Å; I242-A246 PolarHBondContact O-N 2.94Å; L244-A246 VanDerWaalsContact C-N 3.35Å; A246-V248 PolarHBondContact O-N 3.01Å; A246-V249 PolarHBondContact O-N 2.87Å; A246-C250 WeakPolarHBondContact O-CB 3.4Å; A246-C250 PolarHBondContact O-N 3.34Å; A246-C250 PolarHBondContact O-SG 3.47Å; A246-C250 VanDerWaalsContact O-SG 3.34Å; A246-V287 HydrophobicContact CB-CB 4.31Å; A246-V287 HydrophobicContact CB-CG1 3.61Å; A246-V287 HydrophobicContact CB-CG2 4.35Å |
| 247 | F | 89.6 | Confident | 86.1 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.8 | -50.7 | 175 | -173.7 | -86.9 | 0 | 0 | 0 | 112.2 | L112 V116 L119 F198 M201 I243 L244 G245 V249 C250 W251 N284 | L112-F247 HydrophobicContact CD1-CZ 3.86Å; V116-F247 HydrophobicContact CG2-CE1 3.82Å; V116-F247 HydrophobicContact CG2-CZ 3.54Å; L119-F247 HydrophobicContact CD1-CB 4.01Å; L119-F247 HydrophobicContact CD1-CD1 3.78Å; L119-F247 HydrophobicContact CD1-CD2 3.38Å; L119-F247 HydrophobicContact CD1-CE1 4.08Å; L119-F247 HydrophobicContact CD1-CE2 3.75Å; L119-F247 HydrophobicContact CD1-CG 3.43Å; L119-F247 VanDerWaalsContact CD1-CG 3.43Å; L119-F247 HydrophobicContact CD1-CZ 4.1Å; F198-F247 HydrophobicContact CD1-CE1 4.17Å; F198-F247 HydrophobicContact CE1-CD1 4.29Å; F198-F247 AromaticContact CE1-CE1 3.47Å; F198-F247 HydrophobicContact CE1-CE1 3.47Å; F198-F247 VanDerWaalsContact CE1-CE1 3.47Å; F198-F247 HydrophobicContact CE1-CZ 4.35Å; F198-F247 HydrophobicContact CZ-CD1 4.48Å; F198-F247 AromaticContact CZ-CE1 3.7Å; F198-F247 HydrophobicContact CZ-CE1 3.7Å; F198-F247 HydrophobicContact CZ-CZ 4.43Å; M201-F247 HydrophobicContact CE-CE1 4.47Å; I243-F247 PolarHBondContact O-N 3.36Å; L244-F247 WeakPolarHBondContact O-CB 3.42Å; L244-F247 PolarHBondContact O-N 3.43Å; G245-F247 VanDerWaalsContact C-N 3.35Å; G245-F247 PolarHBondContact O-N 3.08Å; F247-V249 PolarHBondContact O-N 3.25Å; F247-C250 PolarHBondContact O-N 3.4Å; F247-W251 AromaticContact CD2-CD1 3.6Å; F247-W251 AromaticContact CD2-NE1 3.72Å; F247-W251 AromaticContact CE1-CD1 3.98Å; F247-W251 HydrophobicContact CE1-CG 4.33Å; F247-W251 AromaticContact CE2-CD1 3.46Å; F247-W251 VanDerWaalsContact CE2-CD1 3.46Å; F247-W251 HydrophobicContact CE2-CG 4.32Å; F247-W251 AromaticContact CE2-NE1 3.36Å; F247-W251 AromaticContact CG-CD1 3.89Å; F247-W251 AromaticContact CZ-CD1 3.65Å; F247-W251 HydrophobicContact CZ-CG 4.11Å; F247-W251 AromaticContact CZ-NE1 3.86Å; F247-W251 WeakPolarHBondContact O-CB 3.35Å; F247-W251 VanDerWaalsContact O-CD1 3.25Å; F247-W251 PolarHBondContact O-N 3.44Å; F247-N284 WeakPolarHBondContact CA-OD1 3.39Å; F247-N284 VanDerWaalsContact CD2-ND2 3.32Å; F247-N284 WeakPolarHBondContact CD2-ND2 3.33Å; F247-N284 PolarHBondContact N-OD1 3.36Å |
| 248 | V | 91.3 | Very high | 87.2 | Confident | 26 Ų | 26 | 33.9 Ų | 33.9 | 16% | 0.158 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 178.7 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | F198 V202 L244 G245 A246 C250 T252 | F198-V248 HydrophobicContact CB-CG1 4.49Å; F198-V248 HydrophobicContact CB-CG2 4.15Å; F198-V248 HydrophobicContact CG-CG2 4.41Å; V202-V248 HydrophobicContact CG2-CG1 4.36Å; V202-V248 HydrophobicContact CG2-CG2 4.1Å; L244-V248 WeakPolarHBondContact O-CG2 3.29Å; L244-V248 PolarHBondContact O-N 2.96Å; G245-V248 PolarHBondContact O-N 3.05Å; A246-V248 PolarHBondContact O-N 3.01Å; V248-C250 PolarHBondContact O-N 2.87Å; V248-T252 WeakPolarHBondContact CG1-OG1 3.36Å; V248-T252 WeakPolarHBondContact O-CB 3.42Å; V248-T252 PolarHBondContact O-N 3.5Å; V248-T252 PolarHBondContact O-OG1 3.26Å |
| 249 | V | 91.5 | Very high | 88.2 | Confident | 101 Ų | 101 | 29.2 Ų | 29.2 | 61% | 0.612 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -63.6 | -41.3 | -179.3 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | G245 A246 F247 P253 | G245-V249 WeakPolarHBondContact O-CB 3.06Å; G245-V249 VanDerWaalsContact O-CG2 3.28Å; G245-V249 WeakPolarHBondContact O-CG2 3.4Å; G245-V249 PolarHBondContact O-N 2.87Å; A246-V249 PolarHBondContact O-N 2.87Å; F247-V249 PolarHBondContact O-N 3.25Å; V249-P253 WeakPolarHBondContact O-CD 3.39Å |
| 250 | C | 92.6 | Very high | 89.3 | Confident | 14 Ų | 14 | 31 Ų | 31 | 10% | 0.095 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.9 | -37.4 | -178.1 | -71.9 | 0 | 0 | 0 | 0 | 112.9 | A246 F247 V248 L280 N284 | A246-C250 WeakPolarHBondContact O-CB 3.4Å; A246-C250 PolarHBondContact O-N 3.34Å; A246-C250 PolarHBondContact O-SG 3.47Å; A246-C250 VanDerWaalsContact O-SG 3.34Å; F247-C250 PolarHBondContact O-N 3.4Å; V248-C250 PolarHBondContact O-N 2.87Å; C250-L280 HydrophobicContact CB-CG 4.22Å; C250-N284 HydrophobicContact CB-CB 3.72Å |
| 251 | W | 93.4 | Very high | 90.4 | Very high | 28 Ų | 28 | 30.3 Ų | 30.3 | 11% | 0.106 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -92 | -29.5 | -174.2 | -74.5 | 96.2 | 0 | 0 | 0 | 114.2 | Y82 L112 F198 F247 G254 Q255 A281 N284 | Y82-W251 WeakPolarHBondContact OH-CH2 3.47Å; L112-W251 HydrophobicContact CB-CH2 4.17Å; L112-W251 HydrophobicContact CB-CZ3 4.34Å; L112-W251 HydrophobicContact CD1-CD2 3.64Å; L112-W251 HydrophobicContact CD1-CE3 3.57Å; L112-W251 HydrophobicContact CD1-CG 4.35Å; L112-W251 HydrophobicContact CD1-CH2 3.79Å; L112-W251 HydrophobicContact CD1-CZ2 3.85Å; L112-W251 HydrophobicContact CD1-CZ3 3.66Å; L112-W251 HydrophobicContact CD2-CE3 3.94Å; L112-W251 HydrophobicContact CD2-CH2 4.34Å; L112-W251 HydrophobicContact CD2-CZ3 3.68Å; L112-W251 HydrophobicContact CG-CE3 4.35Å; L112-W251 HydrophobicContact CG-CH2 4.32Å; L112-W251 HydrophobicContact CG-CZ3 4.1Å; F198-W251 HydrophobicContact CE2-CB 3.65Å; F198-W251 HydrophobicContact CZ-CB 3.76Å; F247-W251 AromaticContact CD2-CD1 3.6Å; F247-W251 AromaticContact CD2-NE1 3.72Å; F247-W251 AromaticContact CE1-CD1 3.98Å; F247-W251 HydrophobicContact CE1-CG 4.33Å; F247-W251 AromaticContact CE2-CD1 3.46Å; F247-W251 VanDerWaalsContact CE2-CD1 3.46Å; F247-W251 HydrophobicContact CE2-CG 4.32Å; F247-W251 AromaticContact CE2-NE1 3.36Å; F247-W251 AromaticContact CG-CD1 3.89Å; F247-W251 AromaticContact CZ-CD1 3.65Å; F247-W251 HydrophobicContact CZ-CG 4.11Å; F247-W251 AromaticContact CZ-NE1 3.86Å; F247-W251 WeakPolarHBondContact O-CB 3.35Å; F247-W251 VanDerWaalsContact O-CD1 3.25Å; F247-W251 PolarHBondContact O-N 3.44Å; W251-G254 PolarHBondContact O-N 3.36Å; W251-Q255 WeakPolarHBondContact O-CG 3.28Å; W251-Q255 PolarHBondContact O-N 3.45Å; W251-A281 HydrophobicContact CD2-CB 3.93Å; W251-A281 HydrophobicContact CE3-CB 3.82Å; W251-A281 HydrophobicContact CH2-CB 3.84Å; W251-A281 HydrophobicContact CZ2-CB 3.94Å; W251-A281 HydrophobicContact CZ3-CB 3.77Å; W251-N284 PolarHBondContact NE1-ND2 3.15Å |
| 252 | T | 94.3 | Very high | 91.1 | Very high | 41 Ų | 41 | 28.4 Ų | 28.4 | 25% | 0.252 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -56 | -46.5 | -176.9 | -62.5 | 0 | 0 | 0 | 0 | 113.3 | L195 V248 G254 Q255 V256 | L195-T252 HydrophobicContact CD2-CG2 3.96Å; V248-T252 WeakPolarHBondContact CG1-OG1 3.36Å; V248-T252 WeakPolarHBondContact O-CB 3.42Å; V248-T252 PolarHBondContact O-N 3.5Å; V248-T252 PolarHBondContact O-OG1 3.26Å; T252-G254 VanDerWaalsContact C-N 3.32Å; T252-G254 PolarHBondContact O-N 2.95Å; T252-Q255 PolarHBondContact O-N 3.14Å; T252-V256 HydrophobicContact CG2-CG2 4.1Å; T252-V256 WeakPolarHBondContact O-CG2 3.48Å; T252-V256 PolarHBondContact O-N 2.93Å |
| 253 | P | 94.6 | Very high | 91.8 | Very high | 38 Ų | 38 | 31 Ų | 31 | 25% | 0.247 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | -179.7 | -23.7 | 34.4 | 0 | 0 | 0 | 112.7 | V249 V256 V257 F277 L280 | V249-P253 WeakPolarHBondContact O-CD 3.39Å; P253-V256 PolarHBondContact O-N 3.34Å; P253-V257 WeakPolarHBondContact O-CG2 3.37Å; P253-V257 PolarHBondContact O-N 2.96Å; P253-F277 HydrophobicContact CB-CD1 3.64Å; P253-F277 HydrophobicContact CB-CD2 4.13Å; P253-F277 HydrophobicContact CB-CE1 3.52Å; P253-F277 HydrophobicContact CB-CE2 4.01Å; P253-F277 HydrophobicContact CB-CG 3.97Å; P253-F277 HydrophobicContact CB-CZ 3.71Å; P253-F277 HydrophobicContact CG-CE1 4.42Å; P253-L280 HydrophobicContact CG-CD2 4.33Å |
| 254 | G | 93.9 | Very high | 92.3 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W251 T252 V257 L258 | W251-G254 PolarHBondContact O-N 3.36Å; T252-G254 VanDerWaalsContact C-N 3.32Å; T252-G254 PolarHBondContact O-N 2.95Å; G254-V257 PolarHBondContact O-N 3.44Å; G254-L258 WeakPolarHBondContact O-CG 3.45Å; G254-L258 PolarHBondContact O-N 3.25Å |
| 255 | Q | 95.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -38.7 | 177.4 | -64.3 | -67 | 16.9 | 0 | 0 | 112.6 | A191 S194 L195 F198 W251 T252 V257 L258 L259 | A191-Q255 WeakPolarHBondContact CB-O 3.43Å; S194-Q255 VanDerWaalsContact CB-NE2 3.26Å; S194-Q255 PolarHBondContact OG-NE2 3.33Å; L195-Q255 HydrophobicContact CD1-CB 4.47Å; L195-Q255 HydrophobicContact CD2-CB 3.9Å; L195-Q255 HydrophobicContact CG-CB 3.98Å; F198-Q255 HydrophobicContact CE2-CG 3.96Å; F198-Q255 HydrophobicContact CZ-CG 4.29Å; W251-Q255 WeakPolarHBondContact O-CG 3.28Å; W251-Q255 PolarHBondContact O-N 3.45Å; T252-Q255 PolarHBondContact O-N 3.14Å; Q255-V257 VanDerWaalsContact C-N 3.33Å; Q255-V257 PolarHBondContact O-N 3.2Å; Q255-L258 PolarHBondContact O-N 3.34Å; Q255-L259 WeakPolarHBondContact O-CB 3.21Å; Q255-L259 PolarHBondContact O-N 2.88Å |
| 256 | V | 95.4 | Very high | 92.5 | Very high | 60 Ų | 60 | 40.2 Ų | 40.2 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 174 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | L195 T252 P253 L259 L260 | L195-V256 HydrophobicContact CD1-CG2 4.38Å; L195-V256 HydrophobicContact CD2-CG2 4.37Å; T252-V256 HydrophobicContact CG2-CG2 4.1Å; T252-V256 WeakPolarHBondContact O-CG2 3.48Å; T252-V256 PolarHBondContact O-N 2.93Å; P253-V256 PolarHBondContact O-N 3.34Å; V256-L259 WeakPolarHBondContact O-CB 3.48Å; V256-L259 PolarHBondContact O-N 3.49Å; V256-L260 HydrophobicContact CG1-CD1 4.14Å; V256-L260 HydrophobicContact CG1-CG 4.41Å; V256-L260 VanDerWaalsContact O-CG 3.3Å; V256-L260 WeakPolarHBondContact O-CG 3.06Å; V256-L260 PolarHBondContact O-N 3.18Å |
| 257 | V | 94.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 112 | M178 P253 G254 Q255 L259 L260 D261 V270 V273 F277 | M178-V257 HydrophobicContact CE-CG1 4.11Å; M178-V257 HydrophobicContact SD-CG1 3.77Å; P253-V257 WeakPolarHBondContact O-CG2 3.37Å; P253-V257 PolarHBondContact O-N 2.96Å; G254-V257 PolarHBondContact O-N 3.44Å; Q255-V257 VanDerWaalsContact C-N 3.33Å; Q255-V257 PolarHBondContact O-N 3.2Å; V257-L259 VanDerWaalsContact C-N 3.29Å; V257-L259 PolarHBondContact O-N 3.35Å; V257-L260 PolarHBondContact O-N 3.44Å; V257-D261 PolarHBondContact O-N 2.94Å; V257-V270 HydrophobicContact CG1-CB 3.74Å; V257-V270 HydrophobicContact CG1-CG1 3.98Å; V257-V273 HydrophobicContact CG1-CG2 4.24Å; V257-V273 HydrophobicContact CG2-CG2 3.74Å; V257-F277 HydrophobicContact CB-CD2 4.43Å; V257-F277 HydrophobicContact CG2-CD2 3.64Å; V257-F277 HydrophobicContact CG2-CE2 3.48Å; V257-F277 VanDerWaalsContact CG2-CE2 3.48Å |
| 258 | L | 94.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 174.6 | -72.6 | 170.1 | 0 | 0 | 0 | 111.9 | M178 V179 L187 A191 G254 Q255 D261 G262 | M178-L258 HydrophobicContact CE-CD2 4.16Å; M178-L258 HydrophobicContact SD-CD2 3.51Å; M178-L258 VanDerWaalsContact SD-CD2 3.51Å; M178-L258 HydrophobicContact SD-CG 4.16Å; V179-L258 HydrophobicContact CG2-CD2 4.13Å; L187-L258 HydrophobicContact CD1-CD2 4.31Å; L187-L258 HydrophobicContact CD2-CD2 4.16Å; A191-L258 HydrophobicContact CB-CB 4.11Å; G254-L258 WeakPolarHBondContact O-CG 3.45Å; G254-L258 PolarHBondContact O-N 3.25Å; Q255-L258 PolarHBondContact O-N 3.34Å; L258-D261 PolarHBondContact O-N 2.91Å; L258-G262 PolarHBondContact O-N 3.45Å |
| 259 | L | 96.2 | Very high | 91.8 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 174.6 | -178.5 | 54.9 | 0 | 0 | 0 | 111.6 | A188 A191 L192 L195 Q255 V256 V257 D261 G262 L263 | A188-L259 HydrophobicContact CB-CD1 4.25Å; A191-L259 HydrophobicContact CB-CB 3.78Å; L192-L259 HydrophobicContact CD1-CD1 3.85Å; L192-L259 HydrophobicContact CD2-CD1 4.3Å; L192-L259 HydrophobicContact CD2-CD2 4.03Å; L192-L259 HydrophobicContact CG-CD1 3.64Å; L192-L259 HydrophobicContact CG-CD2 4.15Å; L195-L259 HydrophobicContact CD1-CD2 4.07Å; Q255-L259 WeakPolarHBondContact O-CB 3.21Å; Q255-L259 PolarHBondContact O-N 2.88Å; V256-L259 WeakPolarHBondContact O-CB 3.48Å; V256-L259 PolarHBondContact O-N 3.49Å; V257-L259 VanDerWaalsContact C-N 3.29Å; V257-L259 PolarHBondContact O-N 3.35Å; L259-D261 VanDerWaalsContact C-N 3.28Å; L259-D261 PolarHBondContact O-N 2.79Å; L259-G262 PolarHBondContact O-N 3.25Å; L259-L263 HydrophobicContact CD1-CD1 4.01Å; L259-L263 HydrophobicContact CD1-CG 4.05Å; L259-L263 HydrophobicContact CG-CD1 4.01Å; L259-L263 HydrophobicContact CG-CG 4.46Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.47Å; L259-L263 PolarHBondContact O-N 3.1Å |
| 260 | L | 94.9 | Very high | 91.7 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 177.7 | -69.2 | 172.6 | 0 | 0 | 0 | 112.2 | V256 V257 C265 C268 V270 | V256-L260 HydrophobicContact CG1-CD1 4.14Å; V256-L260 HydrophobicContact CG1-CG 4.41Å; V256-L260 VanDerWaalsContact O-CG 3.3Å; V256-L260 WeakPolarHBondContact O-CG 3.06Å; V256-L260 PolarHBondContact O-N 3.18Å; V257-L260 PolarHBondContact O-N 3.44Å; L260-C265 HydrophobicContact CB-CB 4.37Å; L260-C265 VanDerWaalsContact O-CB 3.31Å; L260-C265 WeakPolarHBondContact O-CB 3.13Å; L260-C265 PolarHBondContact O-N 2.59Å; L260-C268 HydrophobicContact CB-CB 4.44Å; L260-C268 HydrophobicContact CD1-CB 4.44Å; L260-V270 HydrophobicContact CB-CG1 4.15Å |
| 261 | D | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.9 | -41.1 | 173.4 | -168.5 | 50.3 | 0 | 0 | 0 | 112 | S176 R177 M178 V257 L258 L259 L263 D264 V270 | S176-D261 WeakPolarHBondContact CB-OD2 3.3Å; S176-D261 PolarHBondContact OG-OD2 3.27Å; R177-D261 WeakPolarHBondContact CB-OD1 3.32Å; R177-D261 PolarHBondContact N-OD1 3.39Å; R177-D261 PolarHBondContact N-OD2 3.4Å; R177-D261 IonicContact NE-OD1 3.34Å; M178-D261 HydrophobicContact CB-CB 4.24Å; M178-D261 WeakPolarHBondContact CB-OD2 3.45Å; M178-D261 PolarHBondContact N-OD2 3.49Å; V257-D261 PolarHBondContact O-N 2.94Å; L258-D261 PolarHBondContact O-N 2.91Å; L259-D261 VanDerWaalsContact C-N 3.28Å; L259-D261 PolarHBondContact O-N 2.79Å; D261-L263 VanDerWaalsContact C-N 3.25Å; D261-L263 PolarHBondContact O-N 3.04Å; D261-D264 PolarHBondContact O-N 3.29Å; D261-D264 VanDerWaalsContact O-N 3.08Å; D261-V270 HydrophobicContact CB-CG2 4.42Å |
| 262 | G | 93.5 | Very high | 91 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -28.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | R184 L258 L259 D264 | R184-G262 WeakPolarHBondContact O-CA 3.21Å; L258-G262 PolarHBondContact O-N 3.45Å; L259-G262 PolarHBondContact O-N 3.25Å; G262-D264 VanDerWaalsContact C-N 3.32Å |
| 263 | L | 93.9 | Very high | 90.7 | Very high | 115 Ų | 115 | 49.3 Ų | 49.3 | 60% | 0.602 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 6.3 | 174.8 | -64.7 | 174.8 | 0 | 0 | 0 | 113.7 | L259 D261 C265 | L259-L263 HydrophobicContact CD1-CD1 4.01Å; L259-L263 HydrophobicContact CD1-CG 4.05Å; L259-L263 HydrophobicContact CG-CD1 4.01Å; L259-L263 HydrophobicContact CG-CG 4.46Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.47Å; L259-L263 PolarHBondContact O-N 3.1Å; D261-L263 VanDerWaalsContact C-N 3.25Å; D261-L263 PolarHBondContact O-N 3.04Å; L263-C265 VanDerWaalsContact C-N 3.35Å; L263-C265 PolarHBondContact O-N 3.4Å |
| 264 | D | 90.4 | Very high | 90.4 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 39.5 | -177.8 | -163 | 30.8 | 0 | 0 | 0 | 114.4 | R184 D261 G262 K266 | R184-D264 IonicContact CZ-OD1 3.75Å; R184-D264 IonicContact CZ-OD2 3.01Å; R184-D264 IonicContact NH1-OD1 2.79Å; R184-D264 PolarHBondContact NH1-OD1 2.69Å; R184-D264 VanDerWaalsContact NH1-OD1 3.15Å; R184-D264 IonicContact NH1-OD2 2.76Å; R184-D264 PolarHBondContact NH1-OD2 3.29Å; D261-D264 PolarHBondContact O-N 3.29Å; D261-D264 VanDerWaalsContact O-N 3.08Å; G262-D264 VanDerWaalsContact C-N 3.32Å; D264-K266 PolarHBondContact O-N 3.06Å |
| 265 | C | 89 | Confident | 90.1 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | trans | -70.2 | 91.7 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | R177 L260 L263 S267 C268 | R177-C265 PolarHBondContact NH2-O 3.03Å; L260-C265 HydrophobicContact CB-CB 4.37Å; L260-C265 VanDerWaalsContact O-CB 3.31Å; L260-C265 WeakPolarHBondContact O-CB 3.13Å; L260-C265 PolarHBondContact O-N 2.59Å; L263-C265 VanDerWaalsContact C-N 3.35Å; L263-C265 PolarHBondContact O-N 3.4Å; C265-S267 VanDerWaalsContact C-N 3.33Å; C265-S267 PolarHBondContact O-N 2.98Å; C265-C268 HydrophobicContact CB-CB 3.71Å; C265-C268 WeakPolarHBondContact CB-SG 2.96Å; C265-C268 WeakPolarHBondContact O-CB 3.19Å; C265-C268 PolarHBondContact O-N 3.39Å; C265-C268 VanDerWaalsContact O-N 3.16Å; C265-C268 WeakPolarHBondContact SG-CB 3.34Å; C265-C268 PolarHBondContact SG-N 3.3Å; C265-C268 CovalentContact SG-SG 2.04Å; C265-C268 PolarHBondContact SG-SG 3.08Å | ||
| 266 | K | 82.3 | Confident | 89.8 | Confident | 160 Ų | 160 | 58.5 Ų | 58.5 | 70% | 0.696 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -34 | -177.2 | -65.5 | -174.3 | -178.8 | 179.6 | 0 | 114.2 | D264 C268 | D264-K266 PolarHBondContact O-N 3.06Å; K266-C268 VanDerWaalsContact C-N 3.3Å; K266-C268 PolarHBondContact O-N 2.89Å |
| 267 | S | 83.7 | Confident | 89.7 | Confident | 118 Ų | 118 | 58.3 Ų | 58.3 | 83% | 0.825 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.5 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | C265 N269 | C265-S267 VanDerWaalsContact C-N 3.33Å; C265-S267 PolarHBondContact O-N 2.98Å; S267-N269 PolarHBondContact O-N 3.28Å |
| 268 | C | 84.1 | Confident | 89.4 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -79.9 | 116.7 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 109.5 | L260 C265 K266 V270 | L260-C268 HydrophobicContact CB-CB 4.44Å; L260-C268 HydrophobicContact CD1-CB 4.44Å; C265-C268 HydrophobicContact CB-CB 3.71Å; C265-C268 WeakPolarHBondContact CB-SG 2.96Å; C265-C268 WeakPolarHBondContact O-CB 3.19Å; C265-C268 PolarHBondContact O-N 3.39Å; C265-C268 VanDerWaalsContact O-N 3.16Å; C265-C268 WeakPolarHBondContact SG-CB 3.34Å; C265-C268 PolarHBondContact SG-N 3.3Å; C265-C268 CovalentContact SG-SG 2.04Å; C265-C268 PolarHBondContact SG-SG 3.08Å; K266-C268 VanDerWaalsContact C-N 3.3Å; K266-C268 PolarHBondContact O-N 2.89Å; C268-V270 HydrophobicContact CB-CG1 3.83Å; C268-V270 PolarHBondContact O-N 3.08Å |
| 269 | N | 86.1 | Confident | 89.3 | Confident | 121 Ų | 121 | 60 Ų | 60 | 65% | 0.647 | 32% | 0.319 | S | S | * | . | trans | -77.1 | 59.9 | 177.5 | -164.9 | 1.2 | 0 | 0 | 0 | 111.9 | S267 L271 A272 | S267-N269 PolarHBondContact O-N 3.28Å; N269-L271 VanDerWaalsContact C-N 3.29Å; N269-L271 PolarHBondContact O-N 3.49Å; N269-A272 HydrophobicContact CB-CB 4.42Å; N269-A272 VanDerWaalsContact CG-CB 3.5Å; N269-A272 WeakPolarHBondContact ND2-CB 3.37Å; N269-A272 PolarHBondContact O-N 3Å; N269-A272 WeakPolarHBondContact OD1-CB 3.35Å | ||
| 270 | V | 88.3 | Confident | 89.1 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.6 | -34.4 | -173.1 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | V257 L260 D261 C268 A272 V273 E274 | V257-V270 HydrophobicContact CG1-CB 3.74Å; V257-V270 HydrophobicContact CG1-CG1 3.98Å; L260-V270 HydrophobicContact CB-CG1 4.15Å; D261-V270 HydrophobicContact CB-CG2 4.42Å; C268-V270 HydrophobicContact CB-CG1 3.83Å; C268-V270 PolarHBondContact O-N 3.08Å; V270-A272 VanDerWaalsContact C-N 3.32Å; V270-A272 PolarHBondContact O-N 3.44Å; V270-V273 WeakPolarHBondContact O-CG2 3.42Å; V270-V273 PolarHBondContact O-N 2.69Å; V270-E274 PolarHBondContact O-N 2.86Å |
| 271 | L | 86.3 | Confident | 89 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.5 | -25.7 | -179.5 | -62.6 | 177.5 | 0 | 0 | 0 | 113 | K19 N269 | K19-L271 HydrophobicContact CD-CD2 4.06Å; K19-L271 HydrophobicContact CG-CD2 4.18Å; N269-L271 VanDerWaalsContact C-N 3.29Å; N269-L271 PolarHBondContact O-N 3.49Å |
| 272 | A | 86.1 | Confident | 88.9 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.5 | -32.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N269 V270 Y276 | N269-A272 HydrophobicContact CB-CB 4.42Å; N269-A272 VanDerWaalsContact CG-CB 3.5Å; N269-A272 WeakPolarHBondContact ND2-CB 3.37Å; N269-A272 PolarHBondContact O-N 3Å; N269-A272 WeakPolarHBondContact OD1-CB 3.35Å; V270-A272 VanDerWaalsContact C-N 3.32Å; V270-A272 PolarHBondContact O-N 3.44Å; A272-Y276 WeakPolarHBondContact O-CE2 3.22Å |
| 273 | V | 88.1 | Confident | 88.7 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 30% | 0.303 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -97 | -16.9 | -174.2 | -64.4 | 0 | 0 | 0 | 0 | 113.9 | V257 V270 K275 Y276 F277 | V257-V273 HydrophobicContact CG1-CG2 4.24Å; V257-V273 HydrophobicContact CG2-CG2 3.74Å; V270-V273 WeakPolarHBondContact O-CG2 3.42Å; V270-V273 PolarHBondContact O-N 2.69Å; V273-K275 VanDerWaalsContact C-N 3.33Å; V273-K275 PolarHBondContact O-N 2.81Å; V273-Y276 PolarHBondContact O-N 2.92Å; V273-Y276 VanDerWaalsContact O-N 3.08Å; V273-F277 HydrophobicContact CB-CD2 4.02Å; V273-F277 HydrophobicContact CB-CE2 3.65Å; V273-F277 HydrophobicContact CB-CZ 4.22Å; V273-F277 HydrophobicContact CG1-CE2 4.45Å; V273-F277 HydrophobicContact CG2-CD2 4.01Å; V273-F277 HydrophobicContact CG2-CE2 3.67Å; V273-F277 PolarHBondContact O-N 3.16Å |
| 274 | E | 87.8 | Confident | 88.6 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -44 | -52 | -177.4 | 169.6 | 177.4 | -159.5 | 0 | 0 | 113.5 | K19 M178 V270 Y276 F277 L278 | K19-E274 WeakPolarHBondContact CE-OE2 3.49Å; K19-E274 IonicContact NZ-OE1 2.81Å; K19-E274 PolarHBondContact NZ-OE1 3.3Å; K19-E274 IonicContact NZ-OE2 2.7Å; K19-E274 PolarHBondContact NZ-OE2 3.06Å; M178-E274 HydrophobicContact CE-CB 3.83Å; M178-E274 HydrophobicContact CE-CG 3.58Å; M178-E274 HydrophobicContact CG-CG 4.34Å; V270-E274 PolarHBondContact O-N 2.86Å; E274-Y276 VanDerWaalsContact C-N 3.35Å; E274-Y276 PolarHBondContact O-N 3.3Å; E274-F277 PolarHBondContact O-N 3.1Å; E274-L278 HydrophobicContact CG-CD1 3.95Å; E274-L278 WeakPolarHBondContact O-CB 3.37Å; E274-L278 WeakPolarHBondContact O-CG 3.31Å; E274-L278 PolarHBondContact O-N 3.45Å |
| 275 | K | 87.7 | Confident | 88.6 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.3 | -35.1 | -174.4 | -64.4 | 178.4 | -174.6 | 170 | 0 | 112.8 | D29 V32 V273 L279 | D29-K275 IonicContact OD1-NZ 3.64Å; D29-K275 PolarHBondContact OD1-NZ 3.21Å; V32-K275 HydrophobicContact CG1-CB 4.39Å; V32-K275 HydrophobicContact CG2-CB 4.33Å; V32-K275 HydrophobicContact CG2-CD 4.28Å; V273-K275 VanDerWaalsContact C-N 3.33Å; V273-K275 PolarHBondContact O-N 2.81Å; K275-L279 WeakPolarHBondContact O-CG 3.46Å; K275-L279 PolarHBondContact O-N 3.23Å; K275-L279 VanDerWaalsContact O-N 3.15Å |
| 276 | Y | 88.9 | Confident | 88.6 | Confident | 164 Ų | 164 | 53 Ų | 53 | 64% | 0.643 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.5 | -41.8 | -179.9 | -60 | -77.2 | 0 | 0 | 0 | 111.1 | A272 V273 E274 L279 L280 | A272-Y276 WeakPolarHBondContact O-CE2 3.22Å; V273-Y276 PolarHBondContact O-N 2.92Å; V273-Y276 VanDerWaalsContact O-N 3.08Å; E274-Y276 VanDerWaalsContact C-N 3.35Å; E274-Y276 PolarHBondContact O-N 3.3Å; Y276-L279 PolarHBondContact O-N 3.13Å; Y276-L280 WeakPolarHBondContact O-CB 3.46Å; Y276-L280 PolarHBondContact O-N 3.36Å |
| 277 | F | 92.3 | Very high | 88.7 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.5 | -30.2 | 177.3 | -62.5 | -31.3 | 0 | 0 | 0 | 112.8 | P253 V257 V273 E274 L280 A281 | P253-F277 HydrophobicContact CB-CD1 3.64Å; P253-F277 HydrophobicContact CB-CD2 4.13Å; P253-F277 HydrophobicContact CB-CE1 3.52Å; P253-F277 HydrophobicContact CB-CE2 4.01Å; P253-F277 HydrophobicContact CB-CG 3.97Å; P253-F277 HydrophobicContact CB-CZ 3.71Å; P253-F277 HydrophobicContact CG-CE1 4.42Å; V257-F277 HydrophobicContact CB-CD2 4.43Å; V257-F277 HydrophobicContact CG2-CD2 3.64Å; V257-F277 HydrophobicContact CG2-CE2 3.48Å; V257-F277 VanDerWaalsContact CG2-CE2 3.48Å; V273-F277 HydrophobicContact CB-CD2 4.02Å; V273-F277 HydrophobicContact CB-CE2 3.65Å; V273-F277 HydrophobicContact CB-CZ 4.22Å; V273-F277 HydrophobicContact CG1-CE2 4.45Å; V273-F277 HydrophobicContact CG2-CD2 4.01Å; V273-F277 HydrophobicContact CG2-CE2 3.67Å; V273-F277 PolarHBondContact O-N 3.16Å; E274-F277 PolarHBondContact O-N 3.1Å; F277-L280 HydrophobicContact CD1-CD2 4.42Å; F277-L280 PolarHBondContact O-N 3.34Å; F277-A281 VanDerWaalsContact O-CB 3.3Å; F277-A281 WeakPolarHBondContact O-CB 3.41Å; F277-A281 PolarHBondContact O-N 3.09Å |
| 278 | L | 90.6 | Very high | 88.6 | Confident | 51 Ų | 51 | 41.7 Ų | 41.7 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 168.5 | -84.2 | 166.5 | 0 | 0 | 0 | 112 | Y82 L85 E274 L280 A281 E282 | Y82-L278 HydrophobicContact CE1-CD2 4.28Å; L85-L278 HydrophobicContact CD2-CD2 4.4Å; E274-L278 HydrophobicContact CG-CD1 3.95Å; E274-L278 WeakPolarHBondContact O-CB 3.37Å; E274-L278 WeakPolarHBondContact O-CG 3.31Å; E274-L278 PolarHBondContact O-N 3.45Å; L278-L280 VanDerWaalsContact C-N 3.35Å; L278-A281 PolarHBondContact O-N 3.42Å; L278-E282 WeakPolarHBondContact O-CB 3.48Å; L278-E282 PolarHBondContact O-N 2.95Å |
| 279 | L | 90.9 | Very high | 88.3 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 13% | 0.131 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 176.7 | -75.7 | 167.2 | 0 | 0 | 0 | 112.3 | V32 L35 M86 K275 Y276 E282 A283 | V32-L279 HydrophobicContact CG1-CD1 4.27Å; V32-L279 HydrophobicContact CG2-CD1 4.36Å; L35-L279 HydrophobicContact CD2-CD1 3.98Å; L35-L279 HydrophobicContact CD2-CD2 4.33Å; L35-L279 HydrophobicContact CG-CD2 4.29Å; M86-L279 HydrophobicContact CE-CD2 4.48Å; K275-L279 WeakPolarHBondContact O-CG 3.46Å; K275-L279 PolarHBondContact O-N 3.23Å; K275-L279 VanDerWaalsContact O-N 3.15Å; Y276-L279 PolarHBondContact O-N 3.13Å; L279-E282 PolarHBondContact O-N 3.47Å; L279-A283 WeakPolarHBondContact O-CB 3.49Å; L279-A283 PolarHBondContact O-N 2.72Å |
| 280 | L | 92.6 | Very high | 88 | Confident | 65 Ų | 65 | 38.9 Ų | 38.9 | 34% | 0.34 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 176.3 | -177.4 | 64 | 0 | 0 | 0 | 111.8 | C250 P253 Y276 F277 L278 A283 N284 | C250-L280 HydrophobicContact CB-CG 4.22Å; P253-L280 HydrophobicContact CG-CD2 4.33Å; Y276-L280 WeakPolarHBondContact O-CB 3.46Å; Y276-L280 PolarHBondContact O-N 3.36Å; F277-L280 HydrophobicContact CD1-CD2 4.42Å; F277-L280 PolarHBondContact O-N 3.34Å; L278-L280 VanDerWaalsContact C-N 3.35Å; L280-A283 PolarHBondContact O-N 2.79Å; L280-N284 PolarHBondContact O-N 2.74Å |
| 281 | A | 91.8 | Very high | 87.6 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y82 W251 F277 L278 N284 | Y82-A281 WeakPolarHBondContact OH-CB 3.45Å; W251-A281 HydrophobicContact CD2-CB 3.93Å; W251-A281 HydrophobicContact CE3-CB 3.82Å; W251-A281 HydrophobicContact CH2-CB 3.84Å; W251-A281 HydrophobicContact CZ2-CB 3.94Å; W251-A281 HydrophobicContact CZ3-CB 3.77Å; F277-A281 VanDerWaalsContact O-CB 3.3Å; F277-A281 WeakPolarHBondContact O-CB 3.41Å; F277-A281 PolarHBondContact O-N 3.09Å; L278-A281 PolarHBondContact O-N 3.42Å; A281-N284 VanDerWaalsContact O-CB 3.26Å; A281-N284 WeakPolarHBondContact O-CB 3.48Å; A281-N284 PolarHBondContact O-N 3.45Å |
| 282 | E | 92.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 174.6 | -171 | -176.7 | 176 | 0 | 0 | 111.7 | V39 S40 Y82 L278 L279 N284 S285 | V39-E282 HydrophobicContact CB-CG 4.44Å; V39-E282 HydrophobicContact CG1-CB 4.41Å; V39-E282 HydrophobicContact CG1-CG 3.68Å; S40-E282 WeakPolarHBondContact CA-OE1 3.36Å; S40-E282 WeakPolarHBondContact CB-OE1 3.49Å; S40-E282 PolarHBondContact N-OE1 2.99Å; S40-E282 PolarHBondContact OG-OE1 3.01Å; Y82-E282 HydrophobicContact CD1-CB 3.95Å; Y82-E282 HydrophobicContact CD1-CG 3.88Å; Y82-E282 HydrophobicContact CD2-CB 4.2Å; Y82-E282 HydrophobicContact CD2-CG 3.83Å; Y82-E282 HydrophobicContact CE1-CB 3.83Å; Y82-E282 HydrophobicContact CE1-CG 4.27Å; Y82-E282 HydrophobicContact CE2-CB 4.11Å; Y82-E282 HydrophobicContact CE2-CG 4.24Å; Y82-E282 HydrophobicContact CG-CB 4.14Å; Y82-E282 HydrophobicContact CG-CG 3.66Å; L278-E282 WeakPolarHBondContact O-CB 3.48Å; L278-E282 PolarHBondContact O-N 2.95Å; L279-E282 PolarHBondContact O-N 3.47Å; E282-N284 PolarHBondContact O-N 3.45Å; E282-N284 VanDerWaalsContact O-N 3.17Å; E282-S285 PolarHBondContact O-N 3.34Å |
| 283 | A | 89.9 | Confident | 86.5 | Confident | 34 Ų | 34 | 36.7 Ų | 36.7 | 28% | 0.281 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.5 | -23.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L279 L280 S285 L286 | L279-A283 WeakPolarHBondContact O-CB 3.49Å; L279-A283 PolarHBondContact O-N 2.72Å; L280-A283 PolarHBondContact O-N 2.79Å; A283-S285 PolarHBondContact O-N 2.98Å; A283-L286 WeakPolarHBondContact O-CB 3.19Å; A283-L286 PolarHBondContact O-N 2.92Å |
| 284 | N | 90.7 | Very high | 85.8 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.6 | -36.6 | 175.8 | 176.6 | 71.9 | 0 | 0 | 0 | 112.4 | F247 C250 W251 L280 A281 E282 L286 V287 | F247-N284 WeakPolarHBondContact CA-OD1 3.39Å; F247-N284 VanDerWaalsContact CD2-ND2 3.32Å; F247-N284 WeakPolarHBondContact CD2-ND2 3.33Å; F247-N284 PolarHBondContact N-OD1 3.36Å; C250-N284 HydrophobicContact CB-CB 3.72Å; W251-N284 PolarHBondContact NE1-ND2 3.15Å; L280-N284 PolarHBondContact O-N 2.74Å; A281-N284 VanDerWaalsContact O-CB 3.26Å; A281-N284 WeakPolarHBondContact O-CB 3.48Å; A281-N284 PolarHBondContact O-N 3.45Å; E282-N284 PolarHBondContact O-N 3.45Å; E282-N284 VanDerWaalsContact O-N 3.17Å; N284-L286 PolarHBondContact O-N 3.43Å; N284-L286 VanDerWaalsContact O-N 3.15Å; N284-V287 WeakPolarHBondContact O-CB 3.43Å; N284-V287 PolarHBondContact O-N 2.93Å |
| 285 | S | 90.6 | Very high | 84.9 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.2 | -12.8 | 179.5 | -67.6 | 0 | 0 | 0 | 0 | 113.4 | N47 D75 E282 A283 | N47-S285 PolarHBondContact ND2-O 2.89Å; N47-S285 VanDerWaalsContact ND2-O 3.08Å; D75-S285 VanDerWaalsContact OD1-CB 3.3Å; D75-S285 WeakPolarHBondContact OD1-CB 3.31Å; D75-S285 PolarHBondContact OD1-OG 3.35Å; E282-S285 PolarHBondContact O-N 3.34Å; A283-S285 PolarHBondContact O-N 2.98Å |
| 286 | L | 88.8 | Confident | 84.1 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.199 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -83.7 | -29.3 | 168.9 | -63.5 | 175.9 | 0 | 0 | 0 | 112.7 | V39 L42 V43 A283 N284 N288 A289 V290 | V39-L286 HydrophobicContact CG1-CD1 4.03Å; L42-L286 HydrophobicContact CB-CD2 3.82Å; V43-L286 HydrophobicContact CB-CD2 4.23Å; V43-L286 HydrophobicContact CG2-CD2 3.53Å; V43-L286 HydrophobicContact CG2-CG 3.66Å; A283-L286 WeakPolarHBondContact O-CB 3.19Å; A283-L286 PolarHBondContact O-N 2.92Å; N284-L286 PolarHBondContact O-N 3.43Å; N284-L286 VanDerWaalsContact O-N 3.15Å; L286-N288 PolarHBondContact O-N 3.39Å; L286-A289 PolarHBondContact O-N 2.87Å; L286-V290 WeakPolarHBondContact O-CG2 3.39Å; L286-V290 PolarHBondContact O-N 3.35Å |
| 287 | V | 85.8 | Confident | 83.3 | Confident | 38 Ų | 38 | 34.4 Ų | 34.4 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -38 | -176 | -180 | 0 | 0 | 0 | 0 | 110.6 | A246 N284 A289 V290 V291 | A246-V287 HydrophobicContact CB-CB 4.31Å; A246-V287 HydrophobicContact CB-CG1 3.61Å; A246-V287 HydrophobicContact CB-CG2 4.35Å; N284-V287 WeakPolarHBondContact O-CB 3.43Å; N284-V287 PolarHBondContact O-N 2.93Å; V287-A289 PolarHBondContact O-N 3.18Å; V287-V290 PolarHBondContact O-N 3.31Å; V287-V291 HydrophobicContact CG1-CG2 3.88Å; V287-V291 WeakPolarHBondContact O-CB 3.18Å; V287-V291 WeakPolarHBondContact O-CG2 3.14Å; V287-V291 PolarHBondContact O-N 2.99Å |
| 288 | N | 80.8 | Confident | 82.4 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59 | -51 | 178.9 | -66.8 | -26.6 | 0 | 0 | 0 | 111.5 | D75 I243 L286 V290 V291 Y292 | D75-N288 PolarHBondContact OD2-ND2 3.42Å; I243-N288 WeakPolarHBondContact CG2-OD1 3.15Å; L286-N288 PolarHBondContact O-N 3.39Å; N288-V290 PolarHBondContact O-N 3.4Å; N288-V291 PolarHBondContact O-N 2.8Å; N288-Y292 HydrophobicContact CB-CE2 4.1Å; N288-Y292 WeakPolarHBondContact O-CD2 3.3Å; N288-Y292 WeakPolarHBondContact O-CE2 3.3Å; N288-Y292 PolarHBondContact O-N 3.09Å |
| 289 | A | 78.1 | Confident | 81.6 | Confident | 9 Ų | 9 | 31.3 Ų | 31.3 | 7% | 0.074 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T46 V50 L286 V287 Y292 S293 | T46-A289 HydrophobicContact CG2-CB 4.5Å; V50-A289 HydrophobicContact CG2-CB 4.27Å; L286-A289 PolarHBondContact O-N 2.87Å; V287-A289 PolarHBondContact O-N 3.18Å; A289-Y292 PolarHBondContact O-N 3.18Å; A289-S293 WeakPolarHBondContact O-CB 3.44Å; A289-S293 PolarHBondContact O-N 2.98Å; A289-S293 PolarHBondContact O-OG 3.27Å |
| 290 | V | 80.1 | Confident | 81.1 | Confident | 81 Ų | 81 | 34.8 Ų | 34.8 | 49% | 0.491 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L286 V287 N288 Y292 S293 C294 | L286-V290 WeakPolarHBondContact O-CG2 3.39Å; L286-V290 PolarHBondContact O-N 3.35Å; V287-V290 PolarHBondContact O-N 3.31Å; N288-V290 PolarHBondContact O-N 3.4Å; V290-Y292 VanDerWaalsContact C-N 3.33Å; V290-Y292 PolarHBondContact O-N 3.24Å; V290-S293 PolarHBondContact O-N 3.38Å; V290-S293 PolarHBondContact O-OG 3.28Å; V290-C294 WeakPolarHBondContact O-CB 3.37Å; V290-C294 PolarHBondContact O-N 3.03Å; V290-C294 PolarHBondContact O-SG 3.18Å; V290-C294 VanDerWaalsContact O-SG 3.4Å |
| 291 | V | 79.8 | Confident | 80.4 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | -179.9 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | T239 I242 I243 V287 N288 C294 R295 | T239-V291 HydrophobicContact CG2-CG1 3.53Å; I242-V291 HydrophobicContact CG2-CG2 3.78Å; I243-V291 HydrophobicContact CD1-CB 4.31Å; I243-V291 HydrophobicContact CD1-CG1 3.82Å; I243-V291 HydrophobicContact CG1-CB 3.93Å; I243-V291 HydrophobicContact CG1-CG1 3.72Å; I243-V291 HydrophobicContact CG1-CG2 4.11Å; V287-V291 HydrophobicContact CG1-CG2 3.88Å; V287-V291 WeakPolarHBondContact O-CB 3.18Å; V287-V291 WeakPolarHBondContact O-CG2 3.14Å; V287-V291 PolarHBondContact O-N 2.99Å; N288-V291 PolarHBondContact O-N 2.8Å; V291-C294 PolarHBondContact O-N 3.23Å; V291-R295 HydrophobicContact CG1-CG 4.12Å; V291-R295 VanDerWaalsContact O-CB 3.23Å; V291-R295 WeakPolarHBondContact O-CB 3.34Å; V291-R295 WeakPolarHBondContact O-CG 3.31Å; V291-R295 PolarHBondContact O-N 2.82Å |
| 292 | Y | 74.6 | Confident | 79.8 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 176 | -61.4 | -29.3 | 0 | 0 | 0 | 112 | V50 L68 I243 N288 A289 V290 C294 R295 D296 M299 | V50-Y292 HydrophobicContact CG1-CD2 4.15Å; V50-Y292 HydrophobicContact CG1-CE2 4.26Å; V50-Y292 HydrophobicContact CG2-CD2 3.97Å; L68-Y292 HydrophobicContact CD2-CE1 3.67Å; L68-Y292 WeakPolarHBondContact CD2-OH 3.5Å; I243-Y292 HydrophobicContact CD1-CD1 4.3Å; I243-Y292 HydrophobicContact CD1-CE1 3.51Å; N288-Y292 HydrophobicContact CB-CE2 4.1Å; N288-Y292 WeakPolarHBondContact O-CD2 3.3Å; N288-Y292 WeakPolarHBondContact O-CE2 3.3Å; N288-Y292 PolarHBondContact O-N 3.09Å; A289-Y292 PolarHBondContact O-N 3.18Å; V290-Y292 VanDerWaalsContact C-N 3.33Å; V290-Y292 PolarHBondContact O-N 3.24Å; Y292-C294 VanDerWaalsContact C-N 3.32Å; Y292-C294 PolarHBondContact O-N 3.18Å; Y292-R295 PolarHBondContact O-N 3.08Å; Y292-D296 PolarHBondContact O-N 3.34Å; Y292-M299 HydrophobicContact CD2-CE 4.35Å; Y292-M299 HydrophobicContact CG-CE 4.45Å; Y292-M299 HydrophobicContact CG-SD 4.14Å |
| 293 | S | 75.3 | Confident | 79.4 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.6 | -33.9 | 179 | 76 | 0 | 0 | 0 | 0 | 112.7 | A289 V290 R300 | A289-S293 WeakPolarHBondContact O-CB 3.44Å; A289-S293 PolarHBondContact O-N 2.98Å; A289-S293 PolarHBondContact O-OG 3.27Å; V290-S293 PolarHBondContact O-N 3.38Å; V290-S293 PolarHBondContact O-OG 3.28Å; S293-R300 WeakPolarHBondContact O-CD 3.48Å; S293-R300 WeakPolarHBondContact O-CG 3.29Å; S293-R300 PolarHBondContact O-NH1 2.96Å |
| 294 | C | 72.8 | Confident | 78.9 | Confident | 80 Ų | 80 | 44.7 Ų | 44.7 | 54% | 0.541 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -82.3 | -32.8 | 179.8 | -71.4 | 0 | 0 | 0 | 0 | 113.6 | V290 V291 Y292 R300 | V290-C294 WeakPolarHBondContact O-CB 3.37Å; V290-C294 PolarHBondContact O-N 3.03Å; V290-C294 PolarHBondContact O-SG 3.18Å; V290-C294 VanDerWaalsContact O-SG 3.4Å; V291-C294 PolarHBondContact O-N 3.23Å; Y292-C294 VanDerWaalsContact C-N 3.32Å; Y292-C294 PolarHBondContact O-N 3.18Å; C294-R300 PolarHBondContact O-NH1 3.39Å |
| 295 | R | 68.4 | Low | 78.5 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 34% | 0.343 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -99.1 | -30.6 | -169.5 | -67 | -83.5 | 165.1 | 68.2 | 4.1 | 114.1 | T239 V291 Y292 | T239-R295 HydrophobicContact CG2-CB 4.12Å; T239-R295 HydrophobicContact CG2-CG 4.18Å; T239-R295 WeakPolarHBondContact OG1-CD 3.25Å; V291-R295 HydrophobicContact CG1-CG 4.12Å; V291-R295 VanDerWaalsContact O-CB 3.23Å; V291-R295 WeakPolarHBondContact O-CB 3.34Å; V291-R295 WeakPolarHBondContact O-CG 3.31Å; V291-R295 PolarHBondContact O-N 2.82Å; Y292-R295 PolarHBondContact O-N 3.08Å |
| 296 | D | 71.2 | Confident | 78.1 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | trans | -104.2 | 104.8 | -175.8 | -168.9 | -34.8 | 0 | 0 | 0 | 111.2 | Y292 E298 M299 R300 | Y292-D296 PolarHBondContact O-N 3.34Å; D296-E298 VanDerWaalsContact C-N 3.28Å; D296-E298 PolarHBondContact O-N 2.88Å; D296-E298 WeakPolarHBondContact OD1-CA 3.3Å; D296-E298 WeakPolarHBondContact OD1-CB 3.43Å; D296-E298 PolarHBondContact OD1-N 2.86Å; D296-M299 HydrophobicContact CB-CB 3.63Å; D296-M299 PolarHBondContact O-N 3.02Å; D296-M299 PolarHBondContact OD1-N 2.9Å; D296-R300 WeakPolarHBondContact O-CG 3.24Å; D296-R300 PolarHBondContact O-N 2.78Å | ||
| 297 | A | 71.9 | Confident | 77.7 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -31 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R301 | A297-R301 VanDerWaalsContact O-CG 3.32Å; A297-R301 WeakPolarHBondContact O-CG 3.46Å; A297-R301 PolarHBondContact O-N 3.08Å |
| 298 | E | 72.4 | Confident | 77.4 | Confident | 33 Ų | 33 | 58 Ų | 58 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.6 | -38.8 | 177.4 | -169.7 | 70.1 | 176.1 | 0 | 0 | 110.5 | R59 F60 D296 R301 T302 | R59-E298 WeakPolarHBondContact CD-OE1 3.2Å; R59-E298 IonicContact CZ-OE1 3.78Å; R59-E298 IonicContact NH1-OE1 3.15Å; R59-E298 PolarHBondContact NH1-OE1 3.15Å; R59-E298 IonicContact NH1-OE2 3.93Å; F60-E298 HydrophobicContact CE1-CB 4.35Å; F60-E298 HydrophobicContact CE1-CG 4.06Å; F60-E298 HydrophobicContact CZ-CB 4.23Å; F60-E298 HydrophobicContact CZ-CG 3.86Å; D296-E298 VanDerWaalsContact C-N 3.28Å; D296-E298 PolarHBondContact O-N 2.88Å; D296-E298 WeakPolarHBondContact OD1-CA 3.3Å; D296-E298 WeakPolarHBondContact OD1-CB 3.43Å; D296-E298 PolarHBondContact OD1-N 2.86Å; E298-R301 PolarHBondContact O-N 2.87Å; E298-R301 IonicContact OE2-CZ 2.86Å; E298-R301 IonicContact OE2-NH1 3.58Å; E298-R301 PolarHBondContact OE2-NH1 2.91Å; E298-T302 PolarHBondContact O-N 2.86Å; E298-T302 PolarHBondContact O-OG1 2.86Å |
| 299 | M | 74.3 | Confident | 76.7 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 4% | 0.044 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 174.1 | -157.6 | 157.3 | -166.4 | 0 | 0 | 111.4 | V50 I54 F60 Y292 D296 R301 T302 F303 | V50-M299 HydrophobicContact CB-CE 4.2Å; V50-M299 HydrophobicContact CG1-CE 3.68Å; V50-M299 HydrophobicContact CG2-CE 4.16Å; I54-M299 HydrophobicContact CG1-CE 4.35Å; F60-M299 HydrophobicContact CZ-CB 4.41Å; Y292-M299 HydrophobicContact CD2-CE 4.35Å; Y292-M299 HydrophobicContact CG-CE 4.45Å; Y292-M299 HydrophobicContact CG-SD 4.14Å; D296-M299 HydrophobicContact CB-CB 3.63Å; D296-M299 PolarHBondContact O-N 3.02Å; D296-M299 PolarHBondContact OD1-N 2.9Å; M299-R301 VanDerWaalsContact C-N 3.35Å; M299-R301 PolarHBondContact O-N 3.37Å; M299-T302 CarbonylContact O-C 3.6Å; M299-T302 WeakPolarHBondContact O-CB 3.36Å; M299-T302 PolarHBondContact O-N 3.45Å; M299-T302 VanDerWaalsContact O-N 3.11Å; M299-F303 HydrophobicContact CE-CE1 4.2Å; M299-F303 HydrophobicContact CE-CZ 3.84Å; M299-F303 HydrophobicContact CG-CE1 4Å; M299-F303 HydrophobicContact CG-CE2 3.92Å; M299-F303 HydrophobicContact CG-CZ 3.64Å; M299-F303 WeakPolarHBondContact O-CG 3.48Å; M299-F303 PolarHBondContact O-N 2.92Å; M299-F303 HydrophobicContact SD-CZ 4.27Å |
| 300 | R | 80.6 | Confident | 76 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.6 | -43.8 | 171.5 | -76.8 | -164.9 | -67.4 | -118.4 | 4.9 | 113.8 | S293 C294 D296 T302 F303 R304 | S293-R300 WeakPolarHBondContact O-CD 3.48Å; S293-R300 WeakPolarHBondContact O-CG 3.29Å; S293-R300 PolarHBondContact O-NH1 2.96Å; C294-R300 PolarHBondContact O-NH1 3.39Å; D296-R300 WeakPolarHBondContact O-CG 3.24Å; D296-R300 PolarHBondContact O-N 2.78Å; R300-T302 VanDerWaalsContact C-N 3.28Å; R300-F303 PolarHBondContact O-N 2.96Å; R300-R304 PolarHBondContact O-N 3.48Å |
| 301 | R | 78.8 | Confident | 75 | Confident | 126 Ų | 126 | 66.5 Ų | 66.5 | 48% | 0.475 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 177.1 | -71.7 | 170.9 | -163.2 | 156.4 | -1.8 | 110.2 | A297 E298 M299 R304 R305 | A297-R301 VanDerWaalsContact O-CG 3.32Å; A297-R301 WeakPolarHBondContact O-CG 3.46Å; A297-R301 PolarHBondContact O-N 3.08Å; E298-R301 PolarHBondContact O-N 2.87Å; E298-R301 IonicContact OE2-CZ 2.86Å; E298-R301 IonicContact OE2-NH1 3.58Å; E298-R301 PolarHBondContact OE2-NH1 2.91Å; M299-R301 VanDerWaalsContact C-N 3.35Å; M299-R301 PolarHBondContact O-N 3.37Å; R301-R304 PolarHBondContact O-N 3.41Å; R301-R305 WeakPolarHBondContact O-CG 3.32Å; R301-R305 PolarHBondContact O-N 3.27Å |
| 302 | T | 78.1 | Confident | 73.9 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 5% | 0.049 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 178.4 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | A53 N57 F60 E298 M299 R300 R304 R305 L306 | A53-T302 HydrophobicContact CB-CG2 3.79Å; N57-T302 HydrophobicContact CB-CG2 4.32Å; N57-T302 PolarHBondContact ND2-OG1 2.98Å; F60-T302 HydrophobicContact CE2-CG2 4.5Å; E298-T302 PolarHBondContact O-N 2.86Å; E298-T302 PolarHBondContact O-OG1 2.86Å; M299-T302 CarbonylContact O-C 3.6Å; M299-T302 WeakPolarHBondContact O-CB 3.36Å; M299-T302 PolarHBondContact O-N 3.45Å; M299-T302 VanDerWaalsContact O-N 3.11Å; R300-T302 VanDerWaalsContact C-N 3.28Å; T302-R304 PolarHBondContact O-N 3.38Å; T302-R305 PolarHBondContact O-N 2.86Å; T302-L306 HydrophobicContact CG2-CD1 4.32Å; T302-L306 WeakPolarHBondContact O-CG 3.43Å; T302-L306 PolarHBondContact O-N 3.43Å |
| 303 | F | 83.6 | Confident | 73 | Confident | 21 Ų | 21 | 81 Ų | 81 | 9% | 0.092 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 173.6 | -67.2 | -22 | 0 | 0 | 0 | 112.5 | L49 V50 A53 M299 R300 R305 L306 L307 | L49-F303 HydrophobicContact CD1-CD1 4.13Å; L49-F303 HydrophobicContact CD2-CB 4.35Å; L49-F303 HydrophobicContact CD2-CD1 3.88Å; L49-F303 HydrophobicContact CD2-CE1 4.24Å; L49-F303 HydrophobicContact CD2-CG 4.03Å; L49-F303 HydrophobicContact CG-CD1 3.62Å; L49-F303 HydrophobicContact CG-CE1 3.79Å; L49-F303 HydrophobicContact CG-CG 4.29Å; V50-F303 HydrophobicContact CG2-CE1 4.48Å; V50-F303 HydrophobicContact CG2-CZ 3.9Å; A53-F303 HydrophobicContact CB-CD1 3.79Å; A53-F303 HydrophobicContact CB-CE1 3.52Å; M299-F303 HydrophobicContact CE-CE1 4.2Å; M299-F303 HydrophobicContact CE-CZ 3.84Å; M299-F303 HydrophobicContact CG-CE1 4Å; M299-F303 HydrophobicContact CG-CE2 3.92Å; M299-F303 HydrophobicContact CG-CZ 3.64Å; M299-F303 WeakPolarHBondContact O-CG 3.48Å; M299-F303 PolarHBondContact O-N 2.92Å; M299-F303 HydrophobicContact SD-CZ 4.27Å; R300-F303 PolarHBondContact O-N 2.96Å; F303-R305 VanDerWaalsContact C-N 3.34Å; F303-R305 PolarHBondContact O-N 3.32Å; F303-L306 PolarHBondContact O-N 3.17Å; F303-L307 WeakPolarHBondContact O-CB 3.4Å; F303-L307 WeakPolarHBondContact O-CG 3.38Å; F303-L307 PolarHBondContact O-N 3.42Å |
| 304 | R | 81.3 | Confident | 71.8 | Confident | 157 Ų | 157 | 87.6 Ų | 87.6 | 59% | 0.592 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.8 | -43.7 | 175.3 | -82.5 | -171.7 | -77.2 | -154.9 | -0.7 | 111.9 | R300 R301 T302 L307 C308 | R300-R304 PolarHBondContact O-N 3.48Å; R301-R304 PolarHBondContact O-N 3.41Å; T302-R304 PolarHBondContact O-N 3.38Å; R304-L307 PolarHBondContact O-N 3.08Å; R304-C308 VanDerWaalsContact O-CB 3.25Å; R304-C308 WeakPolarHBondContact O-CB 3.43Å; R304-C308 PolarHBondContact O-N 3.18Å; R304-C308 PolarHBondContact O-SG 3.34Å |
| 305 | R | 81.5 | Confident | 70.9 | Confident | 164 Ų | 164 | 87 Ų | 87 | 62% | 0.619 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.1 | -46.7 | 176.1 | -74.3 | 177.6 | -175.6 | 172.1 | 0.4 | 112 | R301 T302 F303 C308 C309 | R301-R305 WeakPolarHBondContact O-CG 3.32Å; R301-R305 PolarHBondContact O-N 3.27Å; T302-R305 PolarHBondContact O-N 2.86Å; F303-R305 VanDerWaalsContact C-N 3.34Å; F303-R305 PolarHBondContact O-N 3.32Å; R305-C308 PolarHBondContact O-N 3.48Å; R305-C309 VanDerWaalsContact O-CB 3.28Å; R305-C309 WeakPolarHBondContact O-CB 3.08Å; R305-C309 PolarHBondContact O-N 3.33Å; R305-C309 PolarHBondContact O-SG 3.35Å |
| 306 | L | 81.6 | Confident | 70.1 | Confident | 38 Ų | 38 | 88.3 Ų | 88.3 | 20% | 0.199 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 179 | -71.2 | 173.4 | 0 | 0 | 0 | 111.7 | L49 A52 A53 T302 F303 C309 M310 | L49-L306 HydrophobicContact CD1-CB 4.23Å; L49-L306 HydrophobicContact CD1-CD1 4.05Å; A52-L306 HydrophobicContact CB-CD1 4.27Å; A53-L306 HydrophobicContact CB-CD1 4.02Å; T302-L306 HydrophobicContact CG2-CD1 4.32Å; T302-L306 WeakPolarHBondContact O-CG 3.43Å; T302-L306 PolarHBondContact O-N 3.43Å; F303-L306 PolarHBondContact O-N 3.17Å; L306-C309 PolarHBondContact O-N 3.02Å; L306-M310 VanDerWaalsContact O-CG 3.28Å; L306-M310 WeakPolarHBondContact O-CG 3.1Å; L306-M310 PolarHBondContact O-N 3.33Å |
| 307 | L | 81.4 | Confident | 69.2 | Low | 86 Ų | 86 | 92.9 Ų | 92.9 | 45% | 0.45 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 176.8 | -68.9 | 165.7 | 0 | 0 | 0 | 111.7 | F303 R304 M310 C311 | F303-L307 WeakPolarHBondContact O-CB 3.4Å; F303-L307 WeakPolarHBondContact O-CG 3.38Å; F303-L307 PolarHBondContact O-N 3.42Å; R304-L307 PolarHBondContact O-N 3.08Å; L307-M310 HydrophobicContact CD2-CE 3.73Å; L307-M310 HydrophobicContact CG-CE 4.39Å; L307-M310 PolarHBondContact O-N 3.42Å; L307-C311 PolarHBondContact O-N 3.27Å; L307-C311 PolarHBondContact O-SG 2.69Å |
| 308 | C | 78.2 | Confident | 68.2 | Low | 71 Ų | 71 | 97.7 Ų | 97.7 | 48% | 0.48 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 177.2 | -70 | 0 | 0 | 0 | 0 | 112.7 | R304 R305 M310 C311 L312 | R304-C308 VanDerWaalsContact O-CB 3.25Å; R304-C308 WeakPolarHBondContact O-CB 3.43Å; R304-C308 PolarHBondContact O-N 3.18Å; R304-C308 PolarHBondContact O-SG 3.34Å; R305-C308 PolarHBondContact O-N 3.48Å; C308-M310 VanDerWaalsContact C-N 3.35Å; C308-C311 PolarHBondContact O-N 3.46Å; C308-L312 WeakPolarHBondContact O-CB 3.43Å; C308-L312 WeakPolarHBondContact O-CG 3.49Å; C308-L312 PolarHBondContact O-N 2.82Å |
| 309 | C | 66.3 | Low | 67.2 | Low | 76 Ų | 76 | 99.7 Ų | 99.7 | 51% | 0.514 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66 | -37 | 176.2 | -72.5 | 0 | 0 | 0 | 0 | 111.8 | R305 L306 R313 | R305-C309 VanDerWaalsContact O-CB 3.28Å; R305-C309 WeakPolarHBondContact O-CB 3.08Å; R305-C309 PolarHBondContact O-N 3.33Å; R305-C309 PolarHBondContact O-SG 3.35Å; L306-C309 PolarHBondContact O-N 3.02Å; C309-R313 WeakPolarHBondContact O-CB 3.38Å; C309-R313 PolarHBondContact O-N 2.89Å |
| 310 | M | 63.6 | Low | 66.1 | Low | 109 Ų | 109 | 102 Ų | 102 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 172.1 | -71.4 | -172.8 | -59.4 | 0 | 0 | 111.7 | L306 L307 C308 W314 | L306-M310 VanDerWaalsContact O-CG 3.28Å; L306-M310 WeakPolarHBondContact O-CG 3.1Å; L306-M310 PolarHBondContact O-N 3.33Å; L307-M310 HydrophobicContact CD2-CE 3.73Å; L307-M310 HydrophobicContact CG-CE 4.39Å; L307-M310 PolarHBondContact O-N 3.42Å; C308-M310 VanDerWaalsContact C-N 3.35Å; M310-W314 VanDerWaalsContact O-CB 3.22Å; M310-W314 WeakPolarHBondContact O-CB 3.45Å; M310-W314 PolarHBondContact O-N 3.35Å |
| 311 | C | 59.9 | Low | 64.5 | Low | 88 Ų | 88 | 104 Ų | 104 | 60% | 0.595 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | 175.3 | -64.2 | 0 | 0 | 0 | 0 | 113 | L307 C308 W314 S315 | L307-C311 PolarHBondContact O-N 3.27Å; L307-C311 PolarHBondContact O-SG 2.69Å; C308-C311 PolarHBondContact O-N 3.46Å; C311-W314 PolarHBondContact O-N 3.16Å; C311-S315 WeakPolarHBondContact O-CB 3.49Å; C311-S315 PolarHBondContact O-N 3.41Å |
| 312 | L | 56.2 | Low | 62.9 | Low | 118 Ų | 118 | 107.5 Ų | 107.5 | 62% | 0.618 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70 | -39.6 | 179.1 | -70.8 | 167.7 | 0 | 0 | 0 | 112 | C308 S315 N316 | C308-L312 WeakPolarHBondContact O-CB 3.43Å; C308-L312 WeakPolarHBondContact O-CG 3.49Å; C308-L312 PolarHBondContact O-N 2.82Å; L312-S315 PolarHBondContact O-N 2.04Å; L312-N316 PolarHBondContact O-N 3.34Å |
| 313 | R | 55.6 | Low | 61.4 | Low | 208 Ų | 208 | 109.8 Ų | 109.8 | 79% | 0.785 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -40.8 | 172.3 | -107.9 | 176.9 | 145.5 | 178.2 | -6.9 | 112.1 | C309 N316 H317 | C309-R313 WeakPolarHBondContact O-CB 3.38Å; C309-R313 PolarHBondContact O-N 2.89Å; R313-N316 PolarHBondContact O-N 3.4Å; R313-H317 PolarHBondContact O-N 3.41Å |
| 314 | W | 50.2 | Low | 59.6 | Low | 179 Ų | 179 | 113.1 Ų | 113.1 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.4 | -39.1 | 176.2 | -173.6 | -72.6 | 0 | 0 | 0 | 112 | M310 C311 H317 K318 | M310-W314 VanDerWaalsContact O-CB 3.22Å; M310-W314 WeakPolarHBondContact O-CB 3.45Å; M310-W314 PolarHBondContact O-N 3.35Å; C311-W314 PolarHBondContact O-N 3.16Å; W314-H317 PolarHBondContact O-N 3.25Å; W314-K318 PolarHBondContact O-N 3.11Å; W314-K318 VanDerWaalsContact O-N 3.11Å |
| 315 | S | 53.2 | Low | 57.9 | Low | 67 Ų | 67 | 110.6 Ų | 110.6 | 47% | 0.469 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -46.2 | 174.3 | -168.1 | 0 | 0 | 0 | 0 | 112 | C311 L312 H317 K318 S319 | C311-S315 WeakPolarHBondContact O-CB 3.49Å; C311-S315 PolarHBondContact O-N 3.41Å; L312-S315 PolarHBondContact O-N 2.04Å; S315-H317 VanDerWaalsContact C-N 3.32Å; S315-H317 PolarHBondContact O-N 3.34Å; S315-K318 PolarHBondContact O-N 3.27Å; S315-S319 PolarHBondContact O-N 2.87Å |
| 316 | N | 53 | Low | 56.2 | Low | 118 Ų | 118 | 106.4 Ų | 106.4 | 63% | 0.631 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.6 | -33.5 | 176.6 | -78.5 | -8.1 | 0 | 0 | 0 | 112.9 | L312 R313 S319 A320 | L312-N316 PolarHBondContact O-N 3.34Å; R313-N316 PolarHBondContact O-N 3.4Å; N316-S319 PolarHBondContact O-N 3.5Å; N316-A320 WeakPolarHBondContact O-CB 3.42Å; N316-A320 PolarHBondContact O-N 3.11Å |
| 317 | H | 50.8 | Low | 54.4 | Low | 136 Ų | 136 | 115 Ų | 115 | 63% | 0.63 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.8 | -33.8 | 176.3 | -154.7 | -80.9 | 0 | 0 | 0 | 112.6 | R313 W314 S315 H321 | R313-H317 PolarHBondContact O-N 3.41Å; W314-H317 PolarHBondContact O-N 3.25Å; S315-H317 VanDerWaalsContact C-N 3.32Å; S315-H317 PolarHBondContact O-N 3.34Å; H317-H321 PolarHBondContact O-N 3.01Å |
| 318 | K | 50.8 | Low | 52.4 | Low | 141 Ų | 141 | 119.8 Ų | 119.8 | 61% | 0.613 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.5 | -40.7 | 171.4 | -79.7 | -172.2 | 169.6 | -176.4 | 0 | 112.4 | W314 S315 A320 H321 Y322 | W314-K318 PolarHBondContact O-N 3.11Å; W314-K318 VanDerWaalsContact O-N 3.11Å; S315-K318 PolarHBondContact O-N 3.27Å; K318-A320 VanDerWaalsContact C-N 3.35Å; K318-A320 PolarHBondContact O-N 3.16Å; K318-H321 PolarHBondContact O-N 3.35Å; K318-Y322 PolarHBondContact O-N 3.01Å |
| 319 | S | 52.6 | Low | 50.7 | Low | 75 Ų | 75 | 119.6 Ų | 119.6 | 52% | 0.524 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.5 | -32.9 | 175 | -75.6 | 0 | 0 | 0 | 0 | 113.3 | S315 N316 S323 | S315-S319 PolarHBondContact O-N 2.87Å; N316-S319 PolarHBondContact O-N 3.5Å; S319-S323 WeakPolarHBondContact O-CB 3.46Å; S319-S323 PolarHBondContact O-N 2.76Å; S319-S323 PolarHBondContact O-OG 3.43Å |
| 320 | A | 51.9 | Low | 49.5 | Very low | 56 Ų | 56 | 120.6 Ų | 120.6 | 46% | 0.463 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67.8 | -37.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | N316 K318 S323 S324 | N316-A320 WeakPolarHBondContact O-CB 3.42Å; N316-A320 PolarHBondContact O-N 3.11Å; K318-A320 VanDerWaalsContact C-N 3.35Å; K318-A320 PolarHBondContact O-N 3.16Å; A320-S323 PolarHBondContact O-OG 3.39Å; A320-S324 PolarHBondContact O-N 2.6Å; A320-S324 VanDerWaalsContact O-N 3.16Å |
| 321 | H | 45.6 | Very low | 48.1 | Very low | 143 Ų | 143 | 120.9 Ų | 120.9 | 66% | 0.662 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.9 | -28.9 | 178.6 | -131.8 | -72.4 | 0 | 0 | 0 | 113.2 | H317 K318 | H317-H321 PolarHBondContact O-N 3.01Å; K318-H321 PolarHBondContact O-N 3.35Å |
| 322 | Y | 45.8 | Very low | 46.9 | Very low | 198 Ų | 198 | 123 Ų | 123 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -78.7 | -36.6 | 174.4 | -144.4 | -94.6 | 0 | 0 | 0 | 112.3 | K318 S325 A326 | K318-Y322 PolarHBondContact O-N 3.01Å; Y322-S325 PolarHBondContact O-N 3.22Å; Y322-A326 PolarHBondContact O-N 3.45Å |
| 323 | S | 47.1 | Very low | 45.9 | Very low | 56 Ų | 56 | 127.1 Ų | 127.1 | 39% | 0.392 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -73.7 | -23.4 | 177.2 | 59.4 | 0 | 0 | 0 | 0 | 114 | S319 A320 S325 R327 | S319-S323 WeakPolarHBondContact O-CB 3.46Å; S319-S323 PolarHBondContact O-N 2.76Å; S319-S323 PolarHBondContact O-OG 3.43Å; A320-S323 PolarHBondContact O-OG 3.39Å; S323-S325 VanDerWaalsContact C-N 3.35Å; S323-R327 PolarHBondContact O-N 3.49Å |
| 324 | S | 46 | Very low | 44.9 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.4 | -25.4 | 172.1 | -172.3 | 0 | 0 | 0 | 0 | 113.6 | A320 | A320-S324 PolarHBondContact O-N 2.6Å; A320-S324 VanDerWaalsContact O-N 3.16Å |
| 325 | S | 45.4 | Very low | 44.1 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -82.7 | -26.7 | 176 | -159.8 | 0 | 0 | 0 | 0 | 112.1 | Y322 S323 | Y322-S325 PolarHBondContact O-N 3.22Å; S323-S325 VanDerWaalsContact C-N 3.35Å |
| 326 | A | 45.5 | Very low | 43.1 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -85.1 | -10.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y322 | Y322-A326 PolarHBondContact O-N 3.45Å |
| 327 | R | 43.1 | Very low | 42.2 | Very low | 218 Ų | 218 | 128.4 Ų | 128.4 | 82% | 0.823 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 9.7 | -177.7 | -84.7 | -173.6 | -169.5 | -175.8 | 3.8 | 115.7 | S323 | S323-R327 PolarHBondContact O-N 3.49Š|
| 328 | M | 40 | Very low | 41.4 | Very low | 187 Ų | 187 | 130 Ų | 130 | 92% | 0.921 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 10.2 | 174.2 | -113.2 | 166.6 | 80.6 | 0 | 0 | 114.6 | ||
| 329 | G | 42.9 | Very low | 40.5 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -154.1 | 71.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 330 | A | 39.9 | Very low | 39.6 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | 173 | 89.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 331 | S | 34.1 | Very low | 38.7 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -117.1 | 92.8 | 160.6 | -164.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 332 | T | 35 | Very low | 38.4 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | -108.8 | 103 | 164.8 | -42.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 333 | R | 35.8 | Very low | 38 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -64.3 | 129.7 | 169.8 | -71.2 | 178.1 | -166.5 | 170.1 | 3.3 | 108.6 | ||||
| 334 | I | 34.9 | Very low | 37.4 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -114.1 | 110.5 | 154.8 | -62.4 | 178.7 | 0 | 0 | 0 | 105.7 | ||||
| 335 | M | 32.4 | Very low | 36.8 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | -76.7 | 139.4 | 171.3 | -76.5 | 175.4 | 167.8 | 0 | 0 | 109.4 | ||||
| 336 | L | 32.8 | Very low | 36.3 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -127.2 | 143.4 | 154.7 | -85.9 | 165.6 | 0 | 0 | 0 | 108.1 | ||||
| 337 | P | 33.3 | Very low | 36 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -85 | 145.4 | -167 | 7.8 | 10.4 | 0 | 0 | 0 | 112.7 | ||||
| 338 | E | 34.4 | Very low | 35.6 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -60.9 | 135.9 | 167.5 | -149.8 | 154.3 | 113.3 | 0 | 0 | 110.7 | ||||
| 339 | N | 31.7 | Very low | 35.4 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -132.3 | 112.9 | 161 | -99.3 | -10.4 | 0 | 0 | 0 | 108.6 | ||||
| 340 | D | 34.3 | Very low | 35 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | trans | -60.5 | 140.4 | 169.3 | -84 | -50.4 | 0 | 0 | 0 | 112.5 | ||||
| 341 | H | 33.2 | Very low | 34.7 | Very low | 188 Ų | 188 | 152.8 Ų | 152.8 | 87% | 0.87 | 83% | 0.828 | S | S | * | * | -163 | 153.1 | 124.8 | -103.6 | -39.2 | 0 | 0 | 0 | 112.6 | |||||
| 342 | P | 39.4 | Very low | 34.7 | Very low | 95 Ų | 95 | 155 Ų | 155 | 62% | 0.617 | 83% | 0.829 | S | S | * | * | trans | -102.3 | 163.4 | -158.9 | 40.3 | -36.3 | 0 | 0 | 0 | 115.1 | ||||
| 343 | L | 37.3 | Very low | 34.7 | Very low | 159 Ų | 159 | 156.4 Ų | 156.4 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | 55.9 | 117.8 | 148.5 | -73 | 156.9 | 0 | 0 | 0 | 119.2 | ||||
| 344 | T | 33.2 | Very low | 34.6 | Very low | 150 Ų | 150 | 153.3 Ų | 153.3 | 92% | 0.92 | 84% | 0.835 | S | S | * | * | -158.5 | 130.4 | 121.6 | 22 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 345 | D | 35 | Very low | 34.6 | Very low | 151 Ų | 151 | 153 Ų | 153 | 81% | 0.807 | 84% | 0.837 | S | S | * | * | trans | -52.9 | 156.7 | 161.3 | -114.5 | -34.4 | 0 | 0 | 0 | 112.9 | ||||
| 346 | S | 34.5 | Very low | 34.8 | Very low | 104 Ų | 104 | 152.5 Ų | 152.5 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | 148.5 | 107.9 | 134.2 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 347 | T | 38.3 | Very low | 34.9 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | 31.2 | 114.4 | 136.3 | 57.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 348 | L | 34.8 | Very low | 35.1 | Very low | 247 Ų | 247 | 154.5 Ų | 154.5 | 100% | 1.293 | 85% | 0.845 | S | S | * | * | -170 | 0 | 110 | -117.9 | 154.2 | 0 | 0 | 0 | 111.4 |
Retrieved 348 of 348 residues in 458.5 ms
(Link to these results)