| 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 | 40.2 | Very low | 59 | Low | 226 Ų | 226 | 82.4 Ų | 82.4 | 100% | 1.113 | 46% | 0.463 | S | S | * | . | 0 | 18.3 | 0 | -84.8 | 168 | 156.9 | 0 | 0 | 113.3 | |||||
| 2 | C | 43.6 | Very low | 60.1 | Low | 121 Ų | 121 | 83.8 Ų | 83.8 | 82% | 0.818 | 48% | 0.482 | S | S | * | . | trans | -101.4 | 9.5 | -169.3 | -58.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 3 | C | 52 | Low | 61.2 | Low | 100 Ų | 100 | 78.1 Ų | 78.1 | 68% | 0.676 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -109.7 | 6.2 | -174.1 | -60.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 4 | C | 60.1 | Low | 62.6 | Low | 24 Ų | 24 | 84.9 Ų | 84.9 | 16% | 0.162 | 47% | 0.467 | C | S | . | . | trans | -92 | -22 | -174.1 | -61.9 | 0 | 0 | 0 | 0 | 114.2 | E6 T7 E8 F85 C86 | C4-E6 VanDerWaalsContact C-N 3.28Å; C4-E6 PolarHBondContact O-N 3.25Å; C4-T7 PolarHBondContact O-N 2.86Å; C4-E8 PolarHBondContact O-N 3.2Å; C4-F85 HydrophobicContact CB-CE2 4.13Å; C4-C86 HydrophobicContact CB-CB 4.23Å; C4-C86 WeakPolarHBondContact CB-SG 3.25Å; C4-C86 WeakPolarHBondContact SG-CB 3.35Å; C4-C86 CovalentContact SG-SG 2.01Å; C4-C86 PolarHBondContact SG-SG 2.92Å | ||
| 5 | N | 60.7 | Low | 63.7 | Low | 117 Ų | 117 | 81.8 Ų | 81.8 | 63% | 0.626 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.5 | -36.9 | -171.2 | -67.5 | 10.3 | 0 | 0 | 0 | 112.8 | A9 | N5-A9 WeakPolarHBondContact O-CB 3.18Å; N5-A9 PolarHBondContact O-N 3.23Å |
| 6 | E | 58.8 | Low | 64.8 | Low | 122 Ų | 122 | 76.8 Ų | 76.8 | 57% | 0.57 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -70.3 | -35.3 | 178 | -66 | -174.2 | -155.9 | 0 | 0 | 112 | C4 L10 P168 | C4-E6 VanDerWaalsContact C-N 3.28Å; C4-E6 PolarHBondContact O-N 3.25Å; E6-L10 WeakPolarHBondContact O-CB 3.17Å; E6-L10 PolarHBondContact O-N 3.38Å; E6-L10 VanDerWaalsContact O-N 3.08Å; E6-P168 WeakPolarHBondContact OE2-CG 3.32Å |
| 7 | T | 62.1 | Low | 65.8 | Low | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.006 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -73.3 | -39.1 | 177.6 | -28.7 | 0 | 0 | 0 | 0 | 110.9 | C4 L10 F11 P170 | C4-T7 PolarHBondContact O-N 2.86Å; T7-L10 WeakPolarHBondContact O-CB 3.5Å; T7-L10 PolarHBondContact O-N 3.22Å; T7-F11 HydrophobicContact CG2-CD2 4.5Å; T7-F11 HydrophobicContact CG2-CE2 3.54Å; T7-F11 HydrophobicContact CG2-CZ 3.73Å; T7-F11 WeakPolarHBondContact O-CD2 3.19Å; T7-F11 WeakPolarHBondContact O-CE2 3.22Å; T7-F11 WeakPolarHBondContact O-CG 3.44Å; T7-F11 PolarHBondContact O-N 2.95Å; T7-P170 HydrophobicContact CG2-CB 4.45Å; T7-P170 HydrophobicContact CG2-CG 4.4Å |
| 8 | E | 65.6 | Low | 66.9 | Low | 98 Ų | 98 | 77.6 Ų | 77.6 | 46% | 0.458 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 172.9 | -71.5 | 178.2 | -176.1 | 0 | 0 | 111.9 | C4 L10 F11 S12 F85 | C4-E8 PolarHBondContact O-N 3.2Å; E8-L10 PolarHBondContact O-N 2.91Å; E8-F11 PolarHBondContact O-N 2.99Å; E8-S12 PolarHBondContact O-N 3.38Å; E8-S12 VanDerWaalsContact O-N 3.1Å; E8-F85 HydrophobicContact CG-CD2 4.28Å; E8-F85 HydrophobicContact CG-CE2 3.4Å; E8-F85 VanDerWaalsContact CG-CE2 3.4Å; E8-F85 HydrophobicContact CG-CZ 3.79Å; E8-F85 WeakPolarHBondContact OE1-CE2 3.45Å; E8-F85 VanDerWaalsContact OE1-CZ 3.26Å; E8-F85 WeakPolarHBondContact OE1-CZ 3.42Å |
| 9 | A | 65.5 | Low | 67.8 | Low | 58 Ų | 58 | 73.8 Ų | 73.8 | 48% | 0.479 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.1 | -37.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N5 S12 | N5-A9 WeakPolarHBondContact O-CB 3.18Å; N5-A9 PolarHBondContact O-N 3.23Å; A9-S12 WeakPolarHBondContact O-CB 3.16Å; A9-S12 PolarHBondContact O-N 2.85Å; A9-S12 PolarHBondContact O-OG 3.49Å |
| 10 | L | 67.8 | Low | 68.7 | Low | 11 Ų | 11 | 70.2 Ų | 70.2 | 6% | 0.058 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 178.8 | -170 | 142 | 0 | 0 | 0 | 112.7 | E6 T7 E8 S12 S13 F16 L169 P170 I282 | E6-L10 WeakPolarHBondContact O-CB 3.17Å; E6-L10 PolarHBondContact O-N 3.38Å; E6-L10 VanDerWaalsContact O-N 3.08Å; T7-L10 WeakPolarHBondContact O-CB 3.5Å; T7-L10 PolarHBondContact O-N 3.22Å; E8-L10 PolarHBondContact O-N 2.91Å; L10-S12 PolarHBondContact O-N 2.87Å; L10-S13 WeakPolarHBondContact O-CB 3.44Å; L10-S13 PolarHBondContact O-N 2.85Å; L10-F16 HydrophobicContact CD2-CB 4.49Å; L10-F16 HydrophobicContact CD2-CD2 3.21Å; L10-F16 HydrophobicContact CD2-CE2 3.37Å; L10-F16 HydrophobicContact CD2-CG 3.84Å; L10-F16 HydrophobicContact CD2-CZ 4.14Å; L10-F16 HydrophobicContact CG-CD2 4.27Å; L10-F16 WeakPolarHBondContact O-CB 3.32Å; L10-L169 HydrophobicContact CD1-CD2 4.38Å; L10-P170 HydrophobicContact CD1-CG 3.82Å; L10-P170 HydrophobicContact CD2-CG 3.41Å; L10-P170 VanDerWaalsContact CD2-CG 3.41Å; L10-P170 HydrophobicContact CG-CG 4.2Å; L10-I282 HydrophobicContact CD1-CD1 3.56Å; L10-I282 HydrophobicContact CD1-CG1 3.83Å; L10-I282 HydrophobicContact CG-CD1 3.64Å; L10-I282 HydrophobicContact CG-CG1 4.31Å |
| 11 | F | 72.5 | Confident | 69.6 | Low | 28 Ų | 28 | 71.1 Ų | 71.1 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.9 | -17.8 | 173 | -59.1 | -50.7 | 0 | 0 | 0 | 113.8 | T7 E8 S13 F16 W17 I80 F85 L88 | T7-F11 HydrophobicContact CG2-CD2 4.5Å; T7-F11 HydrophobicContact CG2-CE2 3.54Å; T7-F11 HydrophobicContact CG2-CZ 3.73Å; T7-F11 WeakPolarHBondContact O-CD2 3.19Å; T7-F11 WeakPolarHBondContact O-CE2 3.22Å; T7-F11 WeakPolarHBondContact O-CG 3.44Å; T7-F11 PolarHBondContact O-N 2.95Å; E8-F11 PolarHBondContact O-N 2.99Å; F11-S13 PolarHBondContact O-N 2.82Å; F11-F16 HydrophobicContact CD1-CD1 4.08Å; F11-F16 AromaticContact CD1-CE1 3.46Å; F11-F16 HydrophobicContact CD1-CE1 3.46Å; F11-F16 VanDerWaalsContact CD1-CE1 3.46Å; F11-F16 AromaticContact CD1-CZ 3.7Å; F11-F16 HydrophobicContact CD1-CZ 3.7Å; F11-F16 AromaticContact CE1-CE1 3.85Å; F11-F16 HydrophobicContact CE1-CE1 3.85Å; F11-F16 HydrophobicContact CE1-CE2 4.38Å; F11-F16 AromaticContact CE1-CZ 3.59Å; F11-F16 HydrophobicContact CE1-CZ 3.59Å; F11-W17 PolarHBondContact O-NE1 3.29Å; F11-I80 HydrophobicContact CD1-CD1 3.82Å; F11-I80 HydrophobicContact CD1-CG1 4.28Å; F11-I80 HydrophobicContact CE1-CD1 3.57Å; F11-I80 HydrophobicContact CE1-CG1 3.83Å; F11-I80 HydrophobicContact CZ-CD1 4.25Å; F11-I80 HydrophobicContact CZ-CG1 3.99Å; F11-F85 HydrophobicContact CD2-CB 4.37Å; F11-F85 HydrophobicContact CD2-CD2 4.47Å; F11-F85 HydrophobicContact CD2-CG 4.41Å; F11-F85 HydrophobicContact CE2-CB 3.4Å; F11-F85 VanDerWaalsContact CE2-CB 3.4Å; F11-F85 AromaticContact CE2-CD2 3.92Å; F11-F85 HydrophobicContact CE2-CD2 3.92Å; F11-F85 AromaticContact CE2-CG 3.8Å; F11-F85 HydrophobicContact CE2-CG 3.8Å; F11-F85 HydrophobicContact CZ-CB 3.85Å; F11-L88 HydrophobicContact CZ-CD1 4.3Å |
| 12 | S | 72 | Confident | 71.9 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -14.6 | 171.8 | 79.5 | 0 | 0 | 0 | 0 | 113.1 | E8 A9 L10 Y14 | E8-S12 PolarHBondContact O-N 3.38Å; E8-S12 VanDerWaalsContact O-N 3.1Å; A9-S12 WeakPolarHBondContact O-CB 3.16Å; A9-S12 PolarHBondContact O-N 2.85Å; A9-S12 PolarHBondContact O-OG 3.49Å; L10-S12 PolarHBondContact O-N 2.87Å; S12-Y14 PolarHBondContact O-N 2.93Å |
| 13 | S | 74 | Confident | 74.1 | Confident | 10 Ų | 10 | 59 Ų | 59 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | trans | -77.4 | 122.6 | -176.8 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | L10 F11 I15 F16 W17 N279 | L10-S13 WeakPolarHBondContact O-CB 3.44Å; L10-S13 PolarHBondContact O-N 2.85Å; F11-S13 PolarHBondContact O-N 2.82Å; S13-I15 PolarHBondContact O-N 2.65Å; S13-F16 WeakPolarHBondContact O-CB 3.19Å; S13-F16 PolarHBondContact O-N 2.89Å; S13-F16 VanDerWaalsContact O-N 3.16Å; S13-W17 PolarHBondContact O-N 3.04Å; S13-N279 PolarHBondContact OG-OD1 2.87Å | ||
| 14 | Y | 80.8 | Confident | 75.8 | Confident | 174 Ų | 174 | 56.8 Ų | 56.8 | 68% | 0.682 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.6 | -29.7 | 173.4 | 73.1 | -88.4 | 0 | 0 | 0 | 112.4 | S12 F16 W17 T18 | S12-Y14 PolarHBondContact O-N 2.93Å; Y14-F16 VanDerWaalsContact C-N 3.33Å; Y14-W17 PolarHBondContact O-N 2.9Å; Y14-T18 WeakPolarHBondContact O-CB 3.26Å; Y14-T18 PolarHBondContact O-N 3Å; Y14-T18 PolarHBondContact O-OG1 3.21Å |
| 15 | I | 80.1 | Confident | 77.2 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 20% | 0.195 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -42 | 178.2 | -59.8 | 176.5 | 0 | 0 | 0 | 109.8 | S13 G19 I282 A283 | S13-I15 PolarHBondContact O-N 2.65Å; I15-G19 PolarHBondContact O-N 2.79Å; I15-I282 HydrophobicContact CG2-CG2 4.14Å; I15-A283 HydrophobicContact CG2-CB 4.06Å |
| 16 | F | 80.2 | Confident | 78.6 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -52.2 | 177.9 | 172.1 | -93.2 | 0 | 0 | 0 | 111.3 | L10 F11 S13 Y14 T18 G19 E20 I76 I80 I282 Y286 | L10-F16 HydrophobicContact CD2-CB 4.49Å; L10-F16 HydrophobicContact CD2-CD2 3.21Å; L10-F16 HydrophobicContact CD2-CE2 3.37Å; L10-F16 HydrophobicContact CD2-CG 3.84Å; L10-F16 HydrophobicContact CD2-CZ 4.14Å; L10-F16 HydrophobicContact CG-CD2 4.27Å; L10-F16 WeakPolarHBondContact O-CB 3.32Å; F11-F16 HydrophobicContact CD1-CD1 4.08Å; F11-F16 AromaticContact CD1-CE1 3.46Å; F11-F16 HydrophobicContact CD1-CE1 3.46Å; F11-F16 VanDerWaalsContact CD1-CE1 3.46Å; F11-F16 AromaticContact CD1-CZ 3.7Å; F11-F16 HydrophobicContact CD1-CZ 3.7Å; F11-F16 AromaticContact CE1-CE1 3.85Å; F11-F16 HydrophobicContact CE1-CE1 3.85Å; F11-F16 HydrophobicContact CE1-CE2 4.38Å; F11-F16 AromaticContact CE1-CZ 3.59Å; F11-F16 HydrophobicContact CE1-CZ 3.59Å; S13-F16 WeakPolarHBondContact O-CB 3.19Å; S13-F16 PolarHBondContact O-N 2.89Å; S13-F16 VanDerWaalsContact O-N 3.16Å; Y14-F16 VanDerWaalsContact C-N 3.33Å; F16-T18 PolarHBondContact O-N 2.83Å; F16-G19 PolarHBondContact O-N 2.98Å; F16-E20 HydrophobicContact CD2-CG 4.48Å; F16-E20 HydrophobicContact CE1-CG 4.06Å; F16-E20 HydrophobicContact CE2-CG 4.02Å; F16-E20 HydrophobicContact CZ-CG 3.8Å; F16-E20 PolarHBondContact O-N 3.45Å; F16-I76 HydrophobicContact CZ-CG2 3.73Å; F16-I80 HydrophobicContact CE1-CD1 4.4Å; F16-I282 HydrophobicContact CB-CG2 4.36Å; F16-Y286 HydrophobicContact CD2-CE2 4.02Å; F16-Y286 AromaticContact CD2-CZ 3.89Å; F16-Y286 WeakPolarHBondContact CD2-OH 3.43Å; F16-Y286 WeakPolarHBondContact CE2-OH 3.44Å |
| 17 | W | 83.3 | Confident | 80.2 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 35% | 0.345 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | -179.3 | -74 | 108.4 | 0 | 0 | 0 | 112.8 | F11 S13 Y14 G19 E20 I21 M77 I80 | F11-W17 PolarHBondContact O-NE1 3.29Å; S13-W17 PolarHBondContact O-N 3.04Å; Y14-W17 PolarHBondContact O-N 2.9Å; W17-G19 VanDerWaalsContact C-N 3.29Å; W17-G19 PolarHBondContact O-N 3.47Å; W17-E20 PolarHBondContact O-N 2.92Å; W17-I21 WeakPolarHBondContact O-CB 3.18Å; W17-I21 VanDerWaalsContact O-CG1 3.25Å; W17-I21 WeakPolarHBondContact O-CG1 3.16Å; W17-I21 PolarHBondContact O-N 3.43Å; W17-M77 HydrophobicContact CE3-CE 4.36Å; W17-M77 HydrophobicContact CZ3-CE 3.93Å; W17-M77 HydrophobicContact CZ3-SD 3.86Å; W17-I80 HydrophobicContact CH2-CD1 3.79Å; W17-I80 HydrophobicContact CH2-CG2 4.25Å; W17-I80 HydrophobicContact CZ2-CD1 4.36Å; W17-I80 HydrophobicContact CZ3-CD1 4.42Å |
| 18 | T | 85 | Confident | 81.6 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 47% | 0.466 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 176.1 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | Y14 F16 I21 L22 | Y14-T18 WeakPolarHBondContact O-CB 3.26Å; Y14-T18 PolarHBondContact O-N 3Å; Y14-T18 PolarHBondContact O-OG1 3.21Å; F16-T18 PolarHBondContact O-N 2.83Å; T18-I21 PolarHBondContact O-N 2.88Å; T18-L22 HydrophobicContact CG2-CD1 4.19Å; T18-L22 WeakPolarHBondContact O-CB 3.3Å; T18-L22 VanDerWaalsContact O-CG 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.32Å; T18-L22 PolarHBondContact O-N 3.15Å |
| 19 | G | 84.4 | Confident | 82.9 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I15 F16 W17 L22 K23 | I15-G19 PolarHBondContact O-N 2.79Å; F16-G19 PolarHBondContact O-N 2.98Å; W17-G19 VanDerWaalsContact C-N 3.29Å; W17-G19 PolarHBondContact O-N 3.47Å; G19-L22 PolarHBondContact O-N 3.1Å; G19-K23 WeakPolarHBondContact O-CG 3.39Å; G19-K23 PolarHBondContact O-N 3.38Å |
| 20 | E | 85.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.1 | -76 | -55.7 | 127.1 | 0 | 0 | 112.3 | F16 W17 L22 K23 L24 S73 M77 Y286 | F16-E20 HydrophobicContact CD2-CG 4.48Å; F16-E20 HydrophobicContact CE1-CG 4.06Å; F16-E20 HydrophobicContact CE2-CG 4.02Å; F16-E20 HydrophobicContact CZ-CG 3.8Å; F16-E20 PolarHBondContact O-N 3.45Å; W17-E20 PolarHBondContact O-N 2.92Å; E20-L22 PolarHBondContact O-N 2.69Å; E20-K23 PolarHBondContact O-N 3.16Å; E20-K23 IonicContact OE1-NZ 2.92Å; E20-K23 PolarHBondContact OE1-NZ 2.87Å; E20-L24 WeakPolarHBondContact O-CB 3.2Å; E20-L24 WeakPolarHBondContact O-CG 3.47Å; E20-L24 PolarHBondContact O-N 3.27Å; E20-S73 WeakPolarHBondContact OE2-CA 3.38Å; E20-S73 WeakPolarHBondContact OE2-CB 3.32Å; E20-S73 PolarHBondContact OE2-OG 3Å; E20-M77 HydrophobicContact CB-CE 4.35Å; E20-Y286 VanDerWaalsContact CD-OH 3.3Å; E20-Y286 HydrophobicContact CG-CE1 3.99Å; E20-Y286 VanDerWaalsContact CG-OH 3.3Å; E20-Y286 WeakPolarHBondContact CG-OH 3.41Å; E20-Y286 WeakPolarHBondContact OE1-CE1 3.34Å; E20-Y286 PolarHBondContact OE1-OH 2.94Å |
| 21 | I | 86.9 | Confident | 85.4 | Confident | 89 Ų | 89 | 47.3 Ų | 47.3 | 46% | 0.456 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 175.1 | -69.3 | 166.5 | 0 | 0 | 0 | 110.3 | W17 T18 K23 L24 I25 | W17-I21 WeakPolarHBondContact O-CB 3.18Å; W17-I21 VanDerWaalsContact O-CG1 3.25Å; W17-I21 WeakPolarHBondContact O-CG1 3.16Å; W17-I21 PolarHBondContact O-N 3.43Å; T18-I21 PolarHBondContact O-N 2.88Å; I21-K23 VanDerWaalsContact C-N 3.35Å; I21-K23 PolarHBondContact O-N 3.27Å; I21-L24 PolarHBondContact O-N 2.87Å; I21-I25 HydrophobicContact CG2-CD1 4.13Å; I21-I25 WeakPolarHBondContact O-CG1 3.28Å; I21-I25 PolarHBondContact O-N 3.01Å |
| 22 | L | 89.3 | Confident | 86.4 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 44% | 0.44 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 177.8 | -73.4 | 171.5 | 0 | 0 | 0 | 111.9 | T18 G19 E20 I25 A26 L290 | T18-L22 HydrophobicContact CG2-CD1 4.19Å; T18-L22 WeakPolarHBondContact O-CB 3.3Å; T18-L22 VanDerWaalsContact O-CG 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.32Å; T18-L22 PolarHBondContact O-N 3.15Å; G19-L22 PolarHBondContact O-N 3.1Å; E20-L22 PolarHBondContact O-N 2.69Å; L22-I25 PolarHBondContact O-N 3.24Å; L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.44Å; L22-A26 PolarHBondContact O-N 3.48Å; L22-L290 HydrophobicContact CB-CD1 4.48Å; L22-L290 HydrophobicContact CD1-CD1 4.01Å |
| 23 | K | 88.9 | Confident | 87.3 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 175.2 | -75.8 | 174.9 | -177.8 | 168.6 | 0 | 112.4 | G19 E20 I21 I25 A26 A27 V69 Y286 Y289 L293 | G19-K23 WeakPolarHBondContact O-CG 3.39Å; G19-K23 PolarHBondContact O-N 3.38Å; E20-K23 PolarHBondContact O-N 3.16Å; E20-K23 IonicContact OE1-NZ 2.92Å; E20-K23 PolarHBondContact OE1-NZ 2.87Å; I21-K23 VanDerWaalsContact C-N 3.35Å; I21-K23 PolarHBondContact O-N 3.27Å; K23-I25 PolarHBondContact O-N 3.15Å; K23-A26 PolarHBondContact O-N 2.99Å; K23-A27 WeakPolarHBondContact O-CB 3.25Å; K23-A27 PolarHBondContact O-N 3.1Å; K23-V69 HydrophobicContact CB-CG1 4.01Å; K23-V69 HydrophobicContact CD-CG1 3.85Å; K23-V69 HydrophobicContact CG-CG1 3.86Å; K23-Y286 HydrophobicContact CD-CD1 4Å; K23-Y286 HydrophobicContact CD-CE1 3.76Å; K23-Y286 HydrophobicContact CG-CD1 4.44Å; K23-Y289 HydrophobicContact CD-CD2 4.48Å; K23-L293 HydrophobicContact CG-CD1 4.4Å |
| 24 | L | 87.5 | Confident | 88.3 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 29% | 0.288 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.9 | -25.8 | -179.4 | -79.2 | 168.3 | 0 | 0 | 0 | 112.8 | E20 I21 P28 M77 | E20-L24 WeakPolarHBondContact O-CB 3.2Å; E20-L24 WeakPolarHBondContact O-CG 3.47Å; E20-L24 PolarHBondContact O-N 3.27Å; I21-L24 PolarHBondContact O-N 2.87Å; L24-P28 WeakPolarHBondContact O-CD 3.33Å; L24-P28 WeakPolarHBondContact O-CG 3.35Å; L24-M77 HydrophobicContact CD1-CE 3.4Å; L24-M77 VanDerWaalsContact CD1-CE 3.4Å; L24-M77 HydrophobicContact CD1-CG 4.08Å |
| 25 | I | 89.5 | Confident | 88.9 | Confident | 108 Ų | 108 | 42.7 Ų | 42.7 | 55% | 0.554 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -88.1 | -50.1 | 174.6 | -61.9 | 168 | 0 | 0 | 0 | 110.8 | I21 L22 K23 S29 | I21-I25 HydrophobicContact CG2-CD1 4.13Å; I21-I25 WeakPolarHBondContact O-CG1 3.28Å; I21-I25 PolarHBondContact O-N 3.01Å; L22-I25 PolarHBondContact O-N 3.24Å; K23-I25 PolarHBondContact O-N 3.15Å; I25-S29 WeakPolarHBondContact O-CB 3.28Å; I25-S29 PolarHBondContact O-N 3.5Å; I25-S29 PolarHBondContact O-OG 3.29Å |
| 26 | A | 91.8 | Very high | 89.4 | Confident | 22 Ų | 22 | 42.9 Ų | 42.9 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.5 | -34.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L22 K23 S29 S30 L293 I297 | L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.44Å; L22-A26 PolarHBondContact O-N 3.48Å; K23-A26 PolarHBondContact O-N 2.99Å; A26-S29 PolarHBondContact O-N 3.27Å; A26-S30 VanDerWaalsContact O-CB 3.29Å; A26-S30 WeakPolarHBondContact O-CB 3.2Å; A26-S30 PolarHBondContact O-N 2.85Å; A26-L293 HydrophobicContact CB-CB 4.15Å; A26-L293 HydrophobicContact CB-CD1 3.81Å; A26-I297 HydrophobicContact CB-CD1 4.26Å |
| 27 | A | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70 | -46.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K23 S29 S30 T31 V69 T70 L293 | K23-A27 WeakPolarHBondContact O-CB 3.25Å; K23-A27 PolarHBondContact O-N 3.1Å; A27-S29 VanDerWaalsContact C-N 3.33Å; A27-S29 PolarHBondContact O-N 3.08Å; A27-S30 PolarHBondContact O-N 3.25Å; A27-T31 WeakPolarHBondContact O-CB 3.2Å; A27-T31 PolarHBondContact O-N 2.93Å; A27-T31 PolarHBondContact O-OG1 3.09Å; A27-V69 HydrophobicContact CB-CB 4.09Å; A27-V69 HydrophobicContact CB-CG1 4.02Å; A27-T70 WeakPolarHBondContact CB-OG1 3.42Å; A27-L293 HydrophobicContact CB-CD1 3.96Å; A27-L293 HydrophobicContact CB-CD2 3.77Å |
| 28 | P | 92 | Very high | 90.2 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 29% | 0.286 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 170.8 | -24.7 | 36.9 | 0 | 0 | 0 | 112.4 | L24 T31 L32 T70 | L24-P28 WeakPolarHBondContact O-CD 3.33Å; L24-P28 WeakPolarHBondContact O-CG 3.35Å; P28-T31 PolarHBondContact O-N 3.03Å; P28-L32 WeakPolarHBondContact O-CB 3.29Å; P28-L32 VanDerWaalsContact O-CG 3.29Å; P28-L32 WeakPolarHBondContact O-CG 3.48Å; P28-L32 PolarHBondContact O-N 2.82Å; P28-T70 HydrophobicContact CG-CG2 4.36Å |
| 29 | S | 92.4 | Very high | 90.4 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 177.8 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | I25 A26 A27 T31 L32 L33 | I25-S29 WeakPolarHBondContact O-CB 3.28Å; I25-S29 PolarHBondContact O-N 3.5Å; I25-S29 PolarHBondContact O-OG 3.29Å; A26-S29 PolarHBondContact O-N 3.27Å; A27-S29 VanDerWaalsContact C-N 3.33Å; A27-S29 PolarHBondContact O-N 3.08Å; S29-T31 VanDerWaalsContact C-N 3.34Å; S29-T31 PolarHBondContact O-N 3.17Å; S29-L32 PolarHBondContact O-N 3.07Å; S29-L33 WeakPolarHBondContact O-CB 3.5Å; S29-L33 WeakPolarHBondContact O-CG 3.49Å; S29-L33 PolarHBondContact O-N 3.06Å |
| 30 | S | 92.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.1 | -47.3 | 172.8 | 176 | 0 | 0 | 0 | 0 | 111.3 | A26 A27 L32 L33 N34 G296 | A26-S30 VanDerWaalsContact O-CB 3.29Å; A26-S30 WeakPolarHBondContact O-CB 3.2Å; A26-S30 PolarHBondContact O-N 2.85Å; A27-S30 PolarHBondContact O-N 3.25Å; S30-L32 PolarHBondContact O-N 3.49Å; S30-L33 PolarHBondContact O-N 3.09Å; S30-N34 PolarHBondContact O-N 2.91Å; S30-N34 PolarHBondContact O-ND2 3.35Å; S30-G296 VanDerWaalsContact OG-CA 3.3Å; S30-G296 WeakPolarHBondContact OG-CA 3.45Å |
| 31 | T | 93.1 | Very high | 90.5 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -49 | 179.9 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | A27 P28 S29 L33 N34 I35 M63 G66 F67 | A27-T31 WeakPolarHBondContact O-CB 3.2Å; A27-T31 PolarHBondContact O-N 2.93Å; A27-T31 PolarHBondContact O-OG1 3.09Å; P28-T31 PolarHBondContact O-N 3.03Å; S29-T31 VanDerWaalsContact C-N 3.34Å; S29-T31 PolarHBondContact O-N 3.17Å; T31-L33 PolarHBondContact O-N 3.37Å; T31-N34 PolarHBondContact O-N 3.24Å; T31-I35 HydrophobicContact CG2-CD1 3.95Å; T31-I35 VanDerWaalsContact O-CG1 3.3Å; T31-I35 WeakPolarHBondContact O-CG1 3.45Å; T31-I35 PolarHBondContact O-N 3.26Å; T31-M63 HydrophobicContact CG2-CG 4.01Å; T31-G66 WeakPolarHBondContact OG1-CA 3.26Å; T31-F67 HydrophobicContact CG2-CD1 3.92Å; T31-F67 HydrophobicContact CG2-CD2 4.28Å; T31-F67 HydrophobicContact CG2-CE1 3.54Å; T31-F67 HydrophobicContact CG2-CE2 3.94Å; T31-F67 HydrophobicContact CG2-CG 4.27Å; T31-F67 HydrophobicContact CG2-CZ 3.55Å |
| 32 | L | 93.1 | Very high | 90.3 | Very high | 116 Ų | 116 | 41.3 Ų | 41.3 | 61% | 0.607 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.3 | -43.5 | 179.1 | -73.3 | 169.9 | 0 | 0 | 0 | 112.2 | P28 S29 S30 I35 L36 | P28-L32 WeakPolarHBondContact O-CB 3.29Å; P28-L32 VanDerWaalsContact O-CG 3.29Å; P28-L32 WeakPolarHBondContact O-CG 3.48Å; P28-L32 PolarHBondContact O-N 2.82Å; S29-L32 PolarHBondContact O-N 3.07Å; S30-L32 PolarHBondContact O-N 3.49Å; L32-I35 PolarHBondContact O-N 3.43Å; L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 PolarHBondContact O-N 2.81Å |
| 33 | L | 92.7 | Very high | 89.6 | Confident | 21 Ų | 21 | 41.7 Ų | 41.7 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -37.7 | 177.7 | -74.1 | 171 | 0 | 0 | 0 | 112.4 | S29 S30 T31 L36 L37 I297 P300 L301 | S29-L33 WeakPolarHBondContact O-CB 3.5Å; S29-L33 WeakPolarHBondContact O-CG 3.49Å; S29-L33 PolarHBondContact O-N 3.06Å; S30-L33 PolarHBondContact O-N 3.09Å; T31-L33 PolarHBondContact O-N 3.37Å; L33-L36 PolarHBondContact O-N 2.9Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 PolarHBondContact O-N 3.24Å; L33-I297 HydrophobicContact CD1-CB 4.23Å; L33-I297 HydrophobicContact CD1-CG1 4.29Å; L33-I297 HydrophobicContact CD1-CG2 3.79Å; L33-P300 HydrophobicContact CB-CB 4.18Å; L33-P300 HydrophobicContact CB-CG 3.69Å; L33-L301 HydrophobicContact CD1-CG 4.34Å; L33-L301 HydrophobicContact CD2-CD2 4.19Å |
| 34 | N | 93.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.6 | -34.3 | 176 | -75.6 | -76.9 | 0 | 0 | 0 | 112.4 | S30 T31 L36 L37 L38 A59 N62 M63 G296 | S30-N34 PolarHBondContact O-N 2.91Å; S30-N34 PolarHBondContact O-ND2 3.35Å; T31-N34 PolarHBondContact O-N 3.24Å; N34-L36 VanDerWaalsContact C-N 3.35Å; N34-L37 PolarHBondContact O-N 3.36Å; N34-L38 WeakPolarHBondContact O-CB 3.4Å; N34-L38 VanDerWaalsContact O-CG 3.29Å; N34-L38 WeakPolarHBondContact O-CG 2.96Å; N34-L38 PolarHBondContact O-N 2.97Å; N34-A59 WeakPolarHBondContact CB-O 3.42Å; N34-A59 WeakPolarHBondContact OD1-CA 3.25Å; N34-N62 WeakPolarHBondContact ND2-CB 3.31Å; N34-N62 WeakPolarHBondContact OD1-CB 3.41Å; N34-M63 HydrophobicContact CB-CB 4.16Å; N34-G296 PolarHBondContact ND2-O 3Å |
| 35 | I | 93.5 | Very high | 87.4 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 170.3 | -69.4 | 167.3 | 0 | 0 | 0 | 110.3 | T31 L32 L37 L38 Y39 M63 F67 | T31-I35 HydrophobicContact CG2-CD1 3.95Å; T31-I35 VanDerWaalsContact O-CG1 3.3Å; T31-I35 WeakPolarHBondContact O-CG1 3.45Å; T31-I35 PolarHBondContact O-N 3.26Å; L32-I35 PolarHBondContact O-N 3.43Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 2.76Å; I35-L38 PolarHBondContact O-N 3.38Å; I35-Y39 PolarHBondContact O-N 3.38Å; I35-M63 HydrophobicContact CD1-SD 4.49Å; I35-M63 HydrophobicContact CG1-CG 4.17Å; I35-M63 HydrophobicContact CG1-SD 3.83Å; I35-F67 HydrophobicContact CD1-CZ 4.43Å |
| 36 | L | 90.7 | Very high | 86.4 | Confident | 43 Ų | 43 | 45 Ų | 45 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.3 | 179.3 | 63.7 | 0 | 0 | 0 | 111.4 | L32 L33 N34 Y39 L40 I304 | L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 PolarHBondContact O-N 2.81Å; L33-L36 PolarHBondContact O-N 2.9Å; N34-L36 VanDerWaalsContact C-N 3.35Å; L36-Y39 WeakPolarHBondContact O-CB 3.48Å; L36-Y39 PolarHBondContact O-N 2.92Å; L36-L40 HydrophobicContact CG-CD1 4.24Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.42Å; L36-I304 HydrophobicContact CD2-CD1 4.13Å; L36-I304 HydrophobicContact CG-CD1 4.42Å |
| 37 | L | 89.9 | Confident | 85.6 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 175.7 | 178.9 | 67.3 | 0 | 0 | 0 | 111.7 | L33 N34 I35 Y39 L40 L41 A59 P300 F303 I304 L307 | L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 PolarHBondContact O-N 3.24Å; N34-L37 PolarHBondContact O-N 3.36Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 2.76Å; L37-Y39 VanDerWaalsContact C-N 3.3Å; L37-Y39 PolarHBondContact O-N 3.4Å; L37-L40 PolarHBondContact O-N 3.48Å; L37-L41 HydrophobicContact CD1-CD1 4.12Å; L37-L41 HydrophobicContact CD1-CG 4.03Å; L37-L41 HydrophobicContact CD2-CD1 4.26Å; L37-L41 HydrophobicContact CG-CD1 3.8Å; L37-L41 HydrophobicContact CG-CG 4.16Å; L37-L41 WeakPolarHBondContact O-CB 3.44Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.34Å; L37-L41 PolarHBondContact O-N 3.27Å; L37-A59 HydrophobicContact CD2-CB 3.84Å; L37-A59 HydrophobicContact CG-CB 4.38Å; L37-P300 HydrophobicContact CB-CB 3.85Å; L37-P300 HydrophobicContact CD2-CB 3.92Å; L37-P300 HydrophobicContact CG-CB 4.36Å; L37-F303 HydrophobicContact CD1-CB 3.84Å; L37-F303 HydrophobicContact CD2-CD2 3.9Å; L37-I304 HydrophobicContact CD1-CG1 4.32Å; L37-L307 HydrophobicContact CD1-CD1 4.34Å |
| 38 | L | 91.5 | Very high | 85.3 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 175.6 | -76.9 | 170 | 0 | 0 | 0 | 111.2 | N34 I35 L41 S42 V56 A59 M63 | N34-L38 WeakPolarHBondContact O-CB 3.4Å; N34-L38 VanDerWaalsContact O-CG 3.29Å; N34-L38 WeakPolarHBondContact O-CG 2.96Å; N34-L38 PolarHBondContact O-N 2.97Å; I35-L38 PolarHBondContact O-N 3.38Å; L38-L41 PolarHBondContact O-N 3.25Å; L38-S42 WeakPolarHBondContact O-CB 3.29Å; L38-S42 PolarHBondContact O-N 2.95Å; L38-V56 HydrophobicContact CD2-CB 4.28Å; L38-V56 HydrophobicContact CD2-CG1 3.85Å; L38-V56 HydrophobicContact CD2-CG2 4.37Å; L38-A59 HydrophobicContact CD2-CB 3.75Å; L38-A59 HydrophobicContact CG-CB 3.76Å; L38-M63 HydrophobicContact CD1-SD 4.03Å |
| 39 | Y | 88.5 | Confident | 85.1 | Confident | 101 Ų | 101 | 44.8 Ų | 44.8 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.9 | -50.3 | 174.4 | -179.2 | -93.9 | 0 | 0 | 0 | 111.2 | I35 L36 L37 L41 S42 H43 L314 | I35-Y39 PolarHBondContact O-N 3.38Å; L36-Y39 WeakPolarHBondContact O-CB 3.48Å; L36-Y39 PolarHBondContact O-N 2.92Å; L37-Y39 VanDerWaalsContact C-N 3.3Å; L37-Y39 PolarHBondContact O-N 3.4Å; Y39-L41 PolarHBondContact O-N 3.08Å; Y39-S42 PolarHBondContact O-N 3Å; Y39-S42 PolarHBondContact O-OG 3.33Å; Y39-H43 AromaticContact CE1-CD2 3.76Å; Y39-H43 AromaticContact CE2-CD2 3.73Å; Y39-H43 AromaticContact CE2-NE2 3.42Å; Y39-H43 WeakPolarHBondContact CE2-NE2 3.21Å; Y39-H43 AromaticContact CZ-CD2 3.58Å; Y39-H43 AromaticContact CZ-NE2 3.54Å; Y39-H43 PolarHBondContact O-CD2 3.28Å; Y39-H43 VanDerWaalsContact O-CD2 3.24Å; Y39-H43 PolarHBondContact O-N 2.97Å; Y39-L314 HydrophobicContact CD1-CD2 4.23Å; Y39-L314 HydrophobicContact CE1-CD2 3.66Å |
| 40 | L | 84.6 | Confident | 85 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 178.5 | -70.8 | 171.6 | 0 | 0 | 0 | 112.5 | L36 L37 S42 H43 C44 I304 I312 L314 | L36-L40 HydrophobicContact CG-CD1 4.24Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.42Å; L37-L40 PolarHBondContact O-N 3.48Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 2.85Å; L40-H43 CarbonylContact O-C 3.56Å; L40-H43 PolarHBondContact O-N 3.46Å; L40-C44 WeakPolarHBondContact O-CB 3.35Å; L40-C44 PolarHBondContact O-N 2.88Å; L40-I304 HydrophobicContact CD1-CD1 3.99Å; L40-I304 HydrophobicContact CD1-CG1 3.68Å; L40-I312 HydrophobicContact CD2-CD1 4.32Å; L40-L314 HydrophobicContact CD2-CD1 4.11Å |
| 41 | L | 86.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.7 | -36.1 | 177.8 | -71.9 | 172.8 | 0 | 0 | 0 | 111.7 | L37 L38 Y39 H43 C44 L47 R52 L55 V56 | L37-L41 HydrophobicContact CD1-CD1 4.12Å; L37-L41 HydrophobicContact CD1-CG 4.03Å; L37-L41 HydrophobicContact CD2-CD1 4.26Å; L37-L41 HydrophobicContact CG-CD1 3.8Å; L37-L41 HydrophobicContact CG-CG 4.16Å; L37-L41 WeakPolarHBondContact O-CB 3.44Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.34Å; L37-L41 PolarHBondContact O-N 3.27Å; L38-L41 PolarHBondContact O-N 3.25Å; Y39-L41 PolarHBondContact O-N 3.08Å; L41-H43 PolarHBondContact O-N 2.95Å; L41-C44 PolarHBondContact O-N 3.41Å; L41-L47 HydrophobicContact CD2-CD2 4.12Å; L41-R52 HydrophobicContact CB-CG 4.47Å; L41-R52 VanDerWaalsContact O-CD 3.28Å; L41-R52 WeakPolarHBondContact O-CD 3.23Å; L41-L55 HydrophobicContact CD1-CB 3.65Å; L41-L55 HydrophobicContact CD2-CB 4.22Å; L41-L55 HydrophobicContact CD2-CD1 3.97Å; L41-V56 HydrophobicContact CB-CG2 4.09Å; L41-V56 HydrophobicContact CD1-CG2 4.06Å |
| 42 | S | 84.2 | Confident | 84.8 | Confident | 77 Ų | 77 | 45 Ų | 45 | 54% | 0.538 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64 | -29.3 | 176.3 | 76.5 | 0 | 0 | 0 | 0 | 112.9 | L38 Y39 L40 | L38-S42 WeakPolarHBondContact O-CB 3.29Å; L38-S42 PolarHBondContact O-N 2.95Å; Y39-S42 PolarHBondContact O-N 3Å; Y39-S42 PolarHBondContact O-OG 3.33Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 2.85Å |
| 43 | H | 73.4 | Confident | 84.9 | Confident | 91 Ų | 91 | 41.5 Ų | 41.5 | 42% | 0.421 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -101.2 | -10.8 | 179.8 | -68.8 | -64.7 | 0 | 0 | 0 | 114 | Y39 L40 L41 R45 I312 | Y39-H43 AromaticContact CE1-CD2 3.76Å; Y39-H43 AromaticContact CE2-CD2 3.73Å; Y39-H43 AromaticContact CE2-NE2 3.42Å; Y39-H43 WeakPolarHBondContact CE2-NE2 3.21Å; Y39-H43 AromaticContact CZ-CD2 3.58Å; Y39-H43 AromaticContact CZ-NE2 3.54Å; Y39-H43 PolarHBondContact O-CD2 3.28Å; Y39-H43 VanDerWaalsContact O-CD2 3.24Å; Y39-H43 PolarHBondContact O-N 2.97Å; L40-H43 CarbonylContact O-C 3.56Å; L40-H43 PolarHBondContact O-N 3.46Å; L41-H43 PolarHBondContact O-N 2.95Å; H43-R45 PolarHBondContact O-N 3.48Å; H43-I312 HydrophobicContact CB-CD1 3.33Å; H43-I312 HydrophobicContact CB-CG1 3.98Å |
| 44 | C | 68.5 | Low | 85 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | trans | -78 | 105.1 | 177.8 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | L40 L41 P46 R52 L307 T310 | L40-C44 WeakPolarHBondContact O-CB 3.35Å; L40-C44 PolarHBondContact O-N 2.88Å; L41-C44 PolarHBondContact O-N 3.41Å; C44-P46 VanDerWaalsContact SG-CD 3.56Å; C44-R52 PolarHBondContact O-NH1 3.07Å; C44-L307 HydrophobicContact CB-CD2 4.43Å; C44-L307 VanDerWaalsContact SG-CD2 3.59Å; C44-T310 HydrophobicContact CB-CG2 4.14Å | ||
| 45 | R | 63.3 | Low | 84.9 | Confident | 211 Ų | 211 | 40.4 Ų | 40.4 | 80% | 0.796 | 19% | 0.191 | S | C | * | . | trans | -79.4 | -32.2 | 172 | -64.1 | -174.7 | -179.7 | -177.2 | -0.3 | 116.1 | H43 L47 | H43-R45 PolarHBondContact O-N 3.48Å; R45-L47 VanDerWaalsContact C-N 3.27Å; R45-L47 PolarHBondContact O-N 2.93Å | ||
| 46 | P | 67.4 | Low | 85 | Confident | 29 Ų | 29 | 39.3 Ų | 39.3 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -71.4 | -16.5 | -172.2 | 23.2 | -32.5 | 0 | 0 | 0 | 115.1 | C44 P308 M373 | C44-P46 VanDerWaalsContact SG-CD 3.56Å; P46-P308 HydrophobicContact CB-CB 4.45Å; P46-P308 HydrophobicContact CB-CG 4.33Å; P46-P308 HydrophobicContact CG-CB 4.03Å; P46-P308 HydrophobicContact CG-CG 4.09Å; P46-M373 HydrophobicContact CB-CE 3.93Å; P46-M373 HydrophobicContact CB-SD 4.18Å; P46-M373 HydrophobicContact CG-CE 4.2Å |
| 47 | L | 75 | Confident | 85.2 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -81 | 137.4 | -177.8 | -167.9 | 68.2 | 0 | 0 | 0 | 111.8 | L41 R45 I49 V51 R52 L55 T238 M241 | L41-L47 HydrophobicContact CD2-CD2 4.12Å; R45-L47 VanDerWaalsContact C-N 3.27Å; R45-L47 PolarHBondContact O-N 2.93Å; L47-I49 PolarHBondContact O-N 2.74Å; L47-V51 HydrophobicContact CD1-CB 4.47Å; L47-V51 HydrophobicContact CD1-CG1 4.14Å; L47-V51 HydrophobicContact CD2-CG1 4.17Å; L47-V51 HydrophobicContact CG-CB 4.34Å; L47-V51 HydrophobicContact CG-CG1 4.31Å; L47-R52 HydrophobicContact CD2-CB 3.98Å; L47-R52 HydrophobicContact CG-CB 4.43Å; L47-L55 HydrophobicContact CD2-CD1 3.58Å; L47-T238 HydrophobicContact CD1-CG2 4.4Å; L47-M241 HydrophobicContact CD1-SD 3.97Å |
| 48 | H | 83.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | trans | -57.5 | 133.2 | 177.5 | -169.6 | -89.9 | 0 | 0 | 0 | 111.1 | N50 V51 R52 E121 Y132 E133 | H48-N50 PolarHBondContact CE1-ND2 2.78Å; H48-N50 PolarHBondContact ND1-N 3.23Å; H48-N50 PolarHBondContact O-N 2.99Å; H48-N50 VanDerWaalsContact O-N 3.08Å; H48-V51 HydrophobicContact CB-CG2 4.49Å; H48-V51 PolarHBondContact O-N 2.83Å; H48-R52 PolarHBondContact O-N 3.39Å; H48-E121 IonicContact ND1-OE1 3.76Å; H48-Y132 AromaticContact CE1-CE1 3.42Å; H48-Y132 VanDerWaalsContact CE1-CE1 3.42Å; H48-Y132 WeakPolarHBondContact CE1-CE1 3.43Å; H48-Y132 AromaticContact CE1-CE2 3.99Å; H48-Y132 AromaticContact CE1-CZ 3.33Å; H48-Y132 PolarHBondContact CE1-OH 3.49Å; H48-Y132 AromaticContact ND1-CE1 3.85Å; H48-Y132 AromaticContact ND1-CZ 3.93Å; H48-Y132 AromaticContact NE2-CE1 3.75Å; H48-Y132 AromaticContact NE2-CZ 3.99Å; H48-E133 IonicContact CD2-OE1 3.98Å; H48-E133 IonicContact CD2-OE2 3.27Å; H48-E133 PolarHBondContact CD2-OE2 3.19Å; H48-E133 VanDerWaalsContact CD2-OE2 3.27Å; H48-E133 IonicContact CG-OE2 3.99Å | ||
| 49 | I | 87.8 | Confident | 85.6 | Confident | 46 Ų | 46 | 36.3 Ų | 36.3 | 24% | 0.236 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.3 | -37.2 | -170.5 | -169.8 | 159.1 | 0 | 0 | 0 | 113.3 | L47 R52 N53 P136 A138 | L47-I49 PolarHBondContact O-N 2.74Å; I49-R52 PolarHBondContact O-N 3.02Å; I49-N53 PolarHBondContact O-N 3.17Å; I49-N53 PolarHBondContact O-OD1 2.92Å; I49-P136 HydrophobicContact CG2-CB 3.9Å; I49-A138 HydrophobicContact CD1-CB 3.99Å; I49-A138 HydrophobicContact CG1-CB 4.14Å |
| 50 | N | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.3 | -41.5 | 179.2 | -70.6 | -40.1 | 0 | 0 | 0 | 112.8 | H48 R52 N53 L54 E121 Y132 K137 A138 S141 | H48-N50 PolarHBondContact CE1-ND2 2.78Å; H48-N50 PolarHBondContact ND1-N 3.23Å; H48-N50 PolarHBondContact O-N 2.99Å; H48-N50 VanDerWaalsContact O-N 3.08Å; N50-R52 VanDerWaalsContact C-N 3.35Å; N50-N53 PolarHBondContact O-N 3.17Å; N50-L54 VanDerWaalsContact O-CG 3.32Å; N50-L54 WeakPolarHBondContact O-CG 3.37Å; N50-L54 PolarHBondContact O-N 3.36Å; N50-L54 VanDerWaalsContact O-N 3.1Å; N50-E121 HydrophobicContact CB-CG 3.93Å; N50-Y132 WeakPolarHBondContact CB-OH 3.32Å; N50-Y132 PolarHBondContact ND2-OH 3.45Å; N50-K137 PolarHBondContact ND2-O 3.47Å; N50-K137 PolarHBondContact OD1-O 3.33Å; N50-K137 VanDerWaalsContact OD1-O 3.09Å; N50-A138 VanDerWaalsContact OD1-CA 3.26Å; N50-A138 WeakPolarHBondContact OD1-CA 3.21Å; N50-A138 PolarHBondContact OD1-O 2.97Å; N50-S141 WeakPolarHBondContact O-CB 3.47Å; N50-S141 WeakPolarHBondContact OD1-CB 3.41Å; N50-S141 PolarHBondContact OD1-N 3.47Å; N50-S141 PolarHBondContact OD1-OG 2.88Å |
| 51 | V | 90.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 176.2 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | L47 H48 N53 L54 L55 E121 T238 L242 | L47-V51 HydrophobicContact CD1-CB 4.47Å; L47-V51 HydrophobicContact CD1-CG1 4.14Å; L47-V51 HydrophobicContact CD2-CG1 4.17Å; L47-V51 HydrophobicContact CG-CB 4.34Å; L47-V51 HydrophobicContact CG-CG1 4.31Å; H48-V51 HydrophobicContact CB-CG2 4.49Å; H48-V51 PolarHBondContact O-N 2.83Å; V51-N53 VanDerWaalsContact C-N 3.35Å; V51-N53 PolarHBondContact O-N 3.23Å; V51-L54 PolarHBondContact O-N 2.86Å; V51-L55 HydrophobicContact CG1-CD1 4.14Å; V51-L55 HydrophobicContact CG1-CG 4.3Å; V51-L55 WeakPolarHBondContact O-CG 3.42Å; V51-L55 PolarHBondContact O-N 3.34Å; V51-E121 WeakPolarHBondContact CG2-OE2 3.35Å; V51-T238 HydrophobicContact CB-CG2 4.46Å; V51-T238 HydrophobicContact CG1-CG2 4.15Å; V51-T238 HydrophobicContact CG2-CG2 3.94Å; V51-L242 HydrophobicContact CG1-CD1 4.1Å; V51-L242 HydrophobicContact CG1-CD2 4.15Å |
| 52 | R | 91 | Very high | 86.7 | Confident | 63 Ų | 63 | 32.2 Ų | 32.2 | 24% | 0.238 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.7 | -48.2 | 174.6 | -174 | 178.1 | 65.6 | -169.7 | 5.1 | 111.6 | L41 C44 L47 H48 I49 N50 L54 L55 V56 | L41-R52 HydrophobicContact CB-CG 4.47Å; L41-R52 VanDerWaalsContact O-CD 3.28Å; L41-R52 WeakPolarHBondContact O-CD 3.23Å; C44-R52 PolarHBondContact O-NH1 3.07Å; L47-R52 HydrophobicContact CD2-CB 3.98Å; L47-R52 HydrophobicContact CG-CB 4.43Å; H48-R52 PolarHBondContact O-N 3.39Å; I49-R52 PolarHBondContact O-N 3.02Å; N50-R52 VanDerWaalsContact C-N 3.35Å; R52-L54 VanDerWaalsContact C-N 3.33Å; R52-L54 PolarHBondContact O-N 3.47Å; R52-L55 PolarHBondContact O-N 2.49Å; R52-V56 HydrophobicContact CG-CG2 4.49Å; R52-V56 WeakPolarHBondContact O-CB 3.24Å; R52-V56 VanDerWaalsContact O-CG2 3.28Å; R52-V56 WeakPolarHBondContact O-CG2 3.36Å; R52-V56 PolarHBondContact O-N 3.01Å |
| 53 | N | 93.8 | Very high | 87.1 | Confident | 42 Ų | 42 | 30 Ų | 30 | 23% | 0.225 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 178.7 | -71.3 | -6.4 | 0 | 0 | 0 | 112.4 | I49 N50 V51 V56 N57 S141 L145 | I49-N53 PolarHBondContact O-N 3.17Å; I49-N53 PolarHBondContact O-OD1 2.92Å; N50-N53 PolarHBondContact O-N 3.17Å; V51-N53 VanDerWaalsContact C-N 3.35Å; V51-N53 PolarHBondContact O-N 3.23Å; N53-V56 PolarHBondContact O-N 3Å; N53-N57 PolarHBondContact O-N 3.02Å; N53-S141 WeakPolarHBondContact CB-OG 3.39Å; N53-S141 PolarHBondContact ND2-OG 3.39Å; N53-L145 HydrophobicContact CB-CD1 4.44Å |
| 54 | L | 94.7 | Very high | 88 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | 175.2 | -66.7 | 171.4 | 0 | 0 | 0 | 111.8 | N50 V51 R52 V56 N57 L58 T114 A117 M118 E121 L145 | N50-L54 VanDerWaalsContact O-CG 3.32Å; N50-L54 WeakPolarHBondContact O-CG 3.37Å; N50-L54 PolarHBondContact O-N 3.36Å; N50-L54 VanDerWaalsContact O-N 3.1Å; V51-L54 PolarHBondContact O-N 2.86Å; R52-L54 VanDerWaalsContact C-N 3.33Å; R52-L54 PolarHBondContact O-N 3.47Å; L54-V56 VanDerWaalsContact C-N 3.35Å; L54-N57 PolarHBondContact O-N 3.25Å; L54-L58 PolarHBondContact O-N 3Å; L54-T114 HydrophobicContact CB-CG2 4.05Å; L54-T114 HydrophobicContact CD2-CG2 4.21Å; L54-T114 WeakPolarHBondContact O-CG2 3.4Å; L54-A117 HydrophobicContact CD1-CB 4.47Å; L54-A117 HydrophobicContact CD2-CB 3.69Å; L54-M118 HydrophobicContact CB-CE 4.04Å; L54-M118 HydrophobicContact CB-CG 4.02Å; L54-M118 HydrophobicContact CD1-CB 4.41Å; L54-M118 HydrophobicContact CD1-CG 3.81Å; L54-M118 HydrophobicContact CG-CG 4.5Å; L54-E121 HydrophobicContact CD1-CB 4Å; L54-E121 HydrophobicContact CD1-CG 4.2Å; L54-L145 HydrophobicContact CD2-CD2 3.85Å; L54-L145 HydrophobicContact CD2-CG 3.96Å |
| 55 | L | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 175.3 | -69.9 | 177.5 | 0 | 0 | 0 | 112.5 | L41 L47 V51 R52 N57 L58 A59 M118 M241 L242 F303 | L41-L55 HydrophobicContact CD1-CB 3.65Å; L41-L55 HydrophobicContact CD2-CB 4.22Å; L41-L55 HydrophobicContact CD2-CD1 3.97Å; L47-L55 HydrophobicContact CD2-CD1 3.58Å; V51-L55 HydrophobicContact CG1-CD1 4.14Å; V51-L55 HydrophobicContact CG1-CG 4.3Å; V51-L55 WeakPolarHBondContact O-CG 3.42Å; V51-L55 PolarHBondContact O-N 3.34Å; R52-L55 PolarHBondContact O-N 2.49Å; L55-N57 VanDerWaalsContact C-N 3.34Å; L55-L58 PolarHBondContact O-N 2.93Å; L55-A59 WeakPolarHBondContact O-CB 3.44Å; L55-A59 PolarHBondContact O-N 2.7Å; L55-M118 HydrophobicContact CD2-CE 3.53Å; L55-M118 HydrophobicContact CG-CE 4.13Å; L55-M241 HydrophobicContact CD1-CE 4Å; L55-L242 HydrophobicContact CD2-CD2 3.98Å; L55-F303 HydrophobicContact CD2-CD1 3.99Å; L55-F303 HydrophobicContact CD2-CD2 4Å; L55-F303 HydrophobicContact CD2-CE1 3.5Å; L55-F303 VanDerWaalsContact CD2-CE1 3.5Å; L55-F303 HydrophobicContact CD2-CE2 3.51Å; L55-F303 HydrophobicContact CD2-CG 4.23Å; L55-F303 HydrophobicContact CD2-CZ 3.22Å |
| 56 | V | 94.2 | Very high | 90.4 | Very high | 52 Ų | 52 | 21 Ų | 21 | 32% | 0.315 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 173.2 | 166.3 | 0 | 0 | 0 | 0 | 110.4 | L38 L41 R52 N53 L54 L58 A59 A60 | L38-V56 HydrophobicContact CD2-CB 4.28Å; L38-V56 HydrophobicContact CD2-CG1 3.85Å; L38-V56 HydrophobicContact CD2-CG2 4.37Å; L41-V56 HydrophobicContact CB-CG2 4.09Å; L41-V56 HydrophobicContact CD1-CG2 4.06Å; R52-V56 HydrophobicContact CG-CG2 4.49Å; R52-V56 WeakPolarHBondContact O-CB 3.24Å; R52-V56 VanDerWaalsContact O-CG2 3.28Å; R52-V56 WeakPolarHBondContact O-CG2 3.36Å; R52-V56 PolarHBondContact O-N 3.01Å; N53-V56 PolarHBondContact O-N 3Å; L54-V56 VanDerWaalsContact C-N 3.35Å; V56-L58 PolarHBondContact O-N 3.49Å; V56-A59 PolarHBondContact O-N 2.93Å; V56-A60 VanDerWaalsContact O-CB 3.3Å; V56-A60 WeakPolarHBondContact O-CB 3.45Å; V56-A60 PolarHBondContact O-N 2.82Å |
| 57 | N | 96 | Very high | 91.5 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 10% | 0.102 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 175.7 | -171.3 | 70.4 | 0 | 0 | 0 | 112.1 | N53 L54 L55 A60 C61 S110 T114 L145 W149 | N53-N57 PolarHBondContact O-N 3.02Å; L54-N57 PolarHBondContact O-N 3.25Å; L55-N57 VanDerWaalsContact C-N 3.34Å; N57-A60 PolarHBondContact O-N 3.34Å; N57-C61 WeakPolarHBondContact O-CB 3.49Å; N57-C61 PolarHBondContact O-N 3.34Å; N57-C61 PolarHBondContact O-SG 3.04Å; N57-S110 PolarHBondContact ND2-OG 3.36Å; N57-S110 VanDerWaalsContact ND2-OG 3.16Å; N57-T114 PolarHBondContact ND2-OG1 3.01Å; N57-L145 HydrophobicContact CB-CD1 4.33Å; N57-L145 HydrophobicContact CB-CD2 3.5Å; N57-L145 VanDerWaalsContact CB-CD2 3.5Å; N57-L145 VanDerWaalsContact CG-CD2 3.45Å; N57-W149 PolarHBondContact OD1-NE1 3.19Å |
| 58 | L | 94.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 177.1 | -177 | 64.1 | 0 | 0 | 0 | 111.7 | L54 L55 V56 C61 N62 T111 T114 F115 M118 F303 | L54-L58 PolarHBondContact O-N 3Å; L55-L58 PolarHBondContact O-N 2.93Å; V56-L58 PolarHBondContact O-N 3.49Å; L58-C61 PolarHBondContact O-N 3.24Å; L58-N62 PolarHBondContact O-N 3.24Å; L58-N62 PolarHBondContact O-ND2 3.45Å; L58-T111 HydrophobicContact CD1-CG2 3.95Å; L58-T114 HydrophobicContact CB-CG2 4.28Å; L58-F115 HydrophobicContact CD1-CE2 3.88Å; L58-F115 HydrophobicContact CD1-CZ 4.46Å; L58-F115 HydrophobicContact CD2-CE2 4.02Å; L58-F115 HydrophobicContact CD2-CZ 3.76Å; L58-M118 HydrophobicContact CD2-CE 4.23Å; L58-F303 HydrophobicContact CD2-CE2 3.83Å; L58-F303 HydrophobicContact CD2-CZ 4.14Å |
| 59 | A | 94.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N34 L37 L38 L55 V56 N62 M63 | N34-A59 WeakPolarHBondContact CB-O 3.42Å; N34-A59 WeakPolarHBondContact OD1-CA 3.25Å; L37-A59 HydrophobicContact CD2-CB 3.84Å; L37-A59 HydrophobicContact CG-CB 4.38Å; L38-A59 HydrophobicContact CD2-CB 3.75Å; L38-A59 HydrophobicContact CG-CB 3.76Å; L55-A59 WeakPolarHBondContact O-CB 3.44Å; L55-A59 PolarHBondContact O-N 2.7Å; V56-A59 PolarHBondContact O-N 2.93Å; A59-N62 PolarHBondContact O-N 3.47Å; A59-M63 VanDerWaalsContact O-CB 3.31Å; A59-M63 WeakPolarHBondContact O-CB 3.32Å; A59-M63 PolarHBondContact O-N 3.43Å |
| 60 | A | 94.9 | Very high | 92.4 | Very high | 23 Ų | 23 | 24.6 Ų | 24.6 | 19% | 0.19 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V56 N57 N62 M63 F64 | V56-A60 VanDerWaalsContact O-CB 3.3Å; V56-A60 WeakPolarHBondContact O-CB 3.45Å; V56-A60 PolarHBondContact O-N 2.82Å; N57-A60 PolarHBondContact O-N 3.34Å; A60-N62 PolarHBondContact O-N 3.17Å; A60-M63 WeakPolarHBondContact O-CB 3.23Å; A60-M63 PolarHBondContact O-N 3.3Å; A60-F64 WeakPolarHBondContact O-CD2 3.42Å; A60-F64 PolarHBondContact O-N 3.35Å |
| 61 | C | 94.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 177.1 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | N57 L58 M63 F64 N65 S110 T111 | N57-C61 WeakPolarHBondContact O-CB 3.49Å; N57-C61 PolarHBondContact O-N 3.34Å; N57-C61 PolarHBondContact O-SG 3.04Å; L58-C61 PolarHBondContact O-N 3.24Å; C61-M63 VanDerWaalsContact C-N 3.35Å; C61-F64 PolarHBondContact O-N 3.2Å; C61-N65 WeakPolarHBondContact O-CB 3.48Å; C61-N65 VanDerWaalsContact O-CG 3.25Å; C61-N65 PolarHBondContact O-N 2.97Å; C61-N65 PolarHBondContact O-ND2 3Å; C61-S110 PolarHBondContact SG-OG 2.65Å; C61-S110 VanDerWaalsContact SG-OG 3.38Å; C61-T111 HydrophobicContact CB-CG2 3.72Å |
| 62 | N | 93.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.9 | -35.9 | 177.5 | -71.8 | -23.1 | 0 | 0 | 0 | 112.5 | N34 L58 A59 A60 N65 G66 | N34-N62 WeakPolarHBondContact ND2-CB 3.31Å; N34-N62 WeakPolarHBondContact OD1-CB 3.41Å; L58-N62 PolarHBondContact O-N 3.24Å; L58-N62 PolarHBondContact O-ND2 3.45Å; A59-N62 PolarHBondContact O-N 3.47Å; A60-N62 PolarHBondContact O-N 3.17Å; N62-N65 PolarHBondContact O-N 2.94Å; N62-G66 PolarHBondContact O-N 2.77Å |
| 63 | M | 93.8 | Very high | 91.5 | Very high | 31 Ų | 31 | 23.5 Ų | 23.5 | 15% | 0.153 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 172 | -177.8 | -168.1 | 73.6 | 0 | 0 | 111.2 | T31 N34 I35 L38 A59 A60 C61 N65 G66 F67 | T31-M63 HydrophobicContact CG2-CG 4.01Å; N34-M63 HydrophobicContact CB-CB 4.16Å; I35-M63 HydrophobicContact CD1-SD 4.49Å; I35-M63 HydrophobicContact CG1-CG 4.17Å; I35-M63 HydrophobicContact CG1-SD 3.83Å; L38-M63 HydrophobicContact CD1-SD 4.03Å; A59-M63 VanDerWaalsContact O-CB 3.31Å; A59-M63 WeakPolarHBondContact O-CB 3.32Å; A59-M63 PolarHBondContact O-N 3.43Å; A60-M63 WeakPolarHBondContact O-CB 3.23Å; A60-M63 PolarHBondContact O-N 3.3Å; C61-M63 VanDerWaalsContact C-N 3.35Å; M63-N65 PolarHBondContact O-N 3.41Å; M63-G66 PolarHBondContact O-N 3.4Å; M63-F67 HydrophobicContact CE-CE2 4.12Å; M63-F67 HydrophobicContact CG-CD2 3.9Å; M63-F67 HydrophobicContact CG-CE2 3.51Å; M63-F67 HydrophobicContact CG-CZ 4.35Å; M63-F67 WeakPolarHBondContact O-CD2 3.28Å; M63-F67 PolarHBondContact O-N 2.82Å; M63-F67 HydrophobicContact SD-CE2 3.88Å |
| 64 | F | 92.4 | Very high | 91 | Very high | 111 Ų | 111 | 25.2 Ų | 25.2 | 49% | 0.487 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.4 | -38.5 | 176.7 | -80.3 | -68.4 | 0 | 0 | 0 | 112.6 | A60 C61 G66 F67 Y68 T107 | A60-F64 WeakPolarHBondContact O-CD2 3.42Å; A60-F64 PolarHBondContact O-N 3.35Å; C61-F64 PolarHBondContact O-N 3.2Å; F64-G66 VanDerWaalsContact C-N 3.33Å; F64-G66 PolarHBondContact O-N 3.42Å; F64-F67 PolarHBondContact O-N 3.04Å; F64-Y68 VanDerWaalsContact O-CB 3.29Å; F64-Y68 WeakPolarHBondContact O-CB 3.29Å; F64-Y68 PolarHBondContact O-N 3.44Å; F64-T107 HydrophobicContact CB-CG2 4.02Å |
| 65 | N | 90.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 172.5 | -71.9 | -18.9 | 0 | 0 | 0 | 111.6 | C61 N62 M63 Y68 V69 F104 T107 V292 | C61-N65 WeakPolarHBondContact O-CB 3.48Å; C61-N65 VanDerWaalsContact O-CG 3.25Å; C61-N65 PolarHBondContact O-N 2.97Å; C61-N65 PolarHBondContact O-ND2 3Å; N62-N65 PolarHBondContact O-N 2.94Å; M63-N65 PolarHBondContact O-N 3.41Å; N65-Y68 WeakPolarHBondContact O-CB 3.31Å; N65-Y68 PolarHBondContact O-N 3.39Å; N65-V69 WeakPolarHBondContact O-CG2 3.43Å; N65-V69 PolarHBondContact O-N 2.81Å; N65-F104 HydrophobicContact CB-CE2 4.43Å; N65-T107 VanDerWaalsContact OD1-CB 3.31Å; N65-T107 WeakPolarHBondContact OD1-CB 3.47Å; N65-T107 PolarHBondContact OD1-OG1 3.32Å; N65-V292 HydrophobicContact CB-CG1 4.21Å |
| 66 | G | 90.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -51.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T31 N62 M63 F64 Y68 V69 T70 | T31-G66 WeakPolarHBondContact OG1-CA 3.26Å; N62-G66 PolarHBondContact O-N 2.77Å; M63-G66 PolarHBondContact O-N 3.4Å; F64-G66 VanDerWaalsContact C-N 3.33Å; F64-G66 PolarHBondContact O-N 3.42Å; G66-Y68 VanDerWaalsContact C-N 3.31Å; G66-Y68 PolarHBondContact O-N 3.25Å; G66-V69 PolarHBondContact O-N 3.23Å; G66-T70 WeakPolarHBondContact O-CB 3.49Å; G66-T70 PolarHBondContact O-N 3.1Å; G66-T70 PolarHBondContact O-OG1 3.47Å; G66-T70 VanDerWaalsContact O-OG1 3.09Å |
| 67 | F | 90.9 | Very high | 89.2 | Confident | 106 Ų | 106 | 29 Ų | 29 | 47% | 0.465 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 175.8 | -75.9 | -49.2 | 0 | 0 | 0 | 112.9 | T31 I35 M63 F64 G71 | T31-F67 HydrophobicContact CG2-CD1 3.92Å; T31-F67 HydrophobicContact CG2-CD2 4.28Å; T31-F67 HydrophobicContact CG2-CE1 3.54Å; T31-F67 HydrophobicContact CG2-CE2 3.94Å; T31-F67 HydrophobicContact CG2-CG 4.27Å; T31-F67 HydrophobicContact CG2-CZ 3.55Å; I35-F67 HydrophobicContact CD1-CZ 4.43Å; M63-F67 HydrophobicContact CE-CE2 4.12Å; M63-F67 HydrophobicContact CG-CD2 3.9Å; M63-F67 HydrophobicContact CG-CE2 3.51Å; M63-F67 HydrophobicContact CG-CZ 4.35Å; M63-F67 WeakPolarHBondContact O-CD2 3.28Å; M63-F67 PolarHBondContact O-N 2.82Å; M63-F67 HydrophobicContact SD-CE2 3.88Å; F64-F67 PolarHBondContact O-N 3.04Å; F67-G71 PolarHBondContact O-N 3.43Å |
| 68 | Y | 89 | Confident | 88.6 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.2 | -53 | 176.7 | 178.4 | -95 | 0 | 0 | 0 | 111.5 | F64 N65 G66 G71 K72 Q100 F104 E174 | F64-Y68 VanDerWaalsContact O-CB 3.29Å; F64-Y68 WeakPolarHBondContact O-CB 3.29Å; F64-Y68 PolarHBondContact O-N 3.44Å; N65-Y68 WeakPolarHBondContact O-CB 3.31Å; N65-Y68 PolarHBondContact O-N 3.39Å; G66-Y68 VanDerWaalsContact C-N 3.31Å; G66-Y68 PolarHBondContact O-N 3.25Å; Y68-G71 PolarHBondContact O-N 3.49Å; Y68-K72 HydrophobicContact CE1-CD 4.36Å; Y68-K72 WeakPolarHBondContact O-CB 3.46Å; Y68-K72 PolarHBondContact O-N 3.48Å; Y68-Q100 HydrophobicContact CE2-CB 3.63Å; Y68-Q100 HydrophobicContact CE2-CG 3.98Å; Y68-Q100 VanDerWaalsContact CE2-O 3.32Å; Y68-Q100 WeakPolarHBondContact CE2-O 3.28Å; Y68-F104 HydrophobicContact CD1-CB 4.05Å; Y68-F104 AromaticContact CD1-CD2 3.25Å; Y68-F104 HydrophobicContact CD1-CD2 3.25Å; Y68-F104 AromaticContact CD1-CE2 3.92Å; Y68-F104 HydrophobicContact CD1-CE2 3.92Å; Y68-F104 AromaticContact CD1-CG 3.81Å; Y68-F104 HydrophobicContact CD1-CG 3.81Å; Y68-F104 HydrophobicContact CD2-CB 4.18Å; Y68-F104 HydrophobicContact CE1-CB 3.87Å; Y68-F104 AromaticContact CE1-CD2 3.65Å; Y68-F104 HydrophobicContact CE1-CD2 3.65Å; Y68-F104 HydrophobicContact CE1-CE2 4.35Å; Y68-F104 AromaticContact CE1-CG 3.73Å; Y68-F104 HydrophobicContact CE1-CG 3.73Å; Y68-F104 HydrophobicContact CE2-CB 4Å; Y68-F104 HydrophobicContact CG-CB 4.2Å; Y68-F104 AromaticContact CG-CD2 3.81Å; Y68-F104 HydrophobicContact CG-CD2 3.81Å; Y68-F104 HydrophobicContact CG-CG 4.36Å; Y68-E174 WeakPolarHBondContact CE1-OE1 3.21Å; Y68-E174 VanDerWaalsContact CZ-OE1 3.32Å; Y68-E174 PolarHBondContact OH-OE1 2.85Å |
| 69 | V | 87.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | -178 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | K23 A27 N65 G66 K72 S73 F104 Y289 L293 | K23-V69 HydrophobicContact CB-CG1 4.01Å; K23-V69 HydrophobicContact CD-CG1 3.85Å; K23-V69 HydrophobicContact CG-CG1 3.86Å; A27-V69 HydrophobicContact CB-CB 4.09Å; A27-V69 HydrophobicContact CB-CG1 4.02Å; N65-V69 WeakPolarHBondContact O-CG2 3.43Å; N65-V69 PolarHBondContact O-N 2.81Å; G66-V69 PolarHBondContact O-N 3.23Å; V69-K72 PolarHBondContact O-N 2.91Å; V69-S73 PolarHBondContact O-N 2.88Å; V69-S73 PolarHBondContact O-OG 2.87Å; V69-F104 HydrophobicContact CG2-CE2 4.37Å; V69-Y289 HydrophobicContact CG2-CD1 3.93Å; V69-Y289 HydrophobicContact CG2-CE1 4.31Å; V69-L293 HydrophobicContact CG1-CD1 4.18Å |
| 70 | T | 88.3 | Confident | 87.1 | Confident | 31 Ų | 31 | 34.2 Ų | 34.2 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 174.9 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | A27 P28 G66 K72 S73 V74 | A27-T70 WeakPolarHBondContact CB-OG1 3.42Å; P28-T70 HydrophobicContact CG-CG2 4.36Å; G66-T70 WeakPolarHBondContact O-CB 3.49Å; G66-T70 PolarHBondContact O-N 3.1Å; G66-T70 PolarHBondContact O-OG1 3.47Å; G66-T70 VanDerWaalsContact O-OG1 3.09Å; T70-K72 VanDerWaalsContact C-N 3.29Å; T70-K72 PolarHBondContact O-N 2.79Å; T70-S73 PolarHBondContact O-N 2.97Å; T70-V74 HydrophobicContact CG2-CG2 4.25Å; T70-V74 WeakPolarHBondContact O-CB 3.47Å; T70-V74 VanDerWaalsContact O-CG2 3.28Å; T70-V74 WeakPolarHBondContact O-CG2 3.33Å; T70-V74 PolarHBondContact O-N 3.03Å |
| 71 | G | 85.7 | Confident | 86.6 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 35% | 0.351 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59 | -42.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F67 Y68 V74 L75 | F67-G71 PolarHBondContact O-N 3.43Å; Y68-G71 PolarHBondContact O-N 3.49Å; G71-V74 PolarHBondContact O-N 3.12Å; G71-L75 VanDerWaalsContact O-CG 3.29Å; G71-L75 WeakPolarHBondContact O-CG 3.46Å; G71-L75 PolarHBondContact O-N 3.43Å |
| 72 | K | 83.7 | Confident | 86 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -50.7 | 174.9 | -172.7 | 174.3 | -173.2 | 163.7 | 0 | 112.3 | Y68 V69 T70 V74 L75 I76 L171 C172 E174 Y289 | Y68-K72 HydrophobicContact CE1-CD 4.36Å; Y68-K72 WeakPolarHBondContact O-CB 3.46Å; Y68-K72 PolarHBondContact O-N 3.48Å; V69-K72 PolarHBondContact O-N 2.91Å; T70-K72 VanDerWaalsContact C-N 3.29Å; T70-K72 PolarHBondContact O-N 2.79Å; K72-V74 VanDerWaalsContact C-N 3.34Å; K72-V74 PolarHBondContact O-N 3.05Å; K72-L75 PolarHBondContact O-N 3.41Å; K72-I76 HydrophobicContact CG-CD1 4.25Å; K72-I76 VanDerWaalsContact O-CG1 3.32Å; K72-I76 WeakPolarHBondContact O-CG1 3.49Å; K72-I76 PolarHBondContact O-N 2.98Å; K72-L171 WeakPolarHBondContact CE-O 3.47Å; K72-L171 HydrophobicContact CG-CB 4.37Å; K72-L171 HydrophobicContact CG-CD1 4.49Å; K72-L171 PolarHBondContact NZ-O 3.39Å; K72-C172 PolarHBondContact NZ-O 2.87Å; K72-E174 IonicContact NZ-OE1 3.16Å; K72-E174 PolarHBondContact NZ-OE1 3.28Å; K72-E174 IonicContact NZ-OE2 2.81Å; K72-Y289 PolarHBondContact NZ-OH 3.21Å |
| 73 | S | 84.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 178 | -71.3 | 0 | 0 | 0 | 0 | 112.6 | E20 V69 T70 I76 M77 | E20-S73 WeakPolarHBondContact OE2-CA 3.38Å; E20-S73 WeakPolarHBondContact OE2-CB 3.32Å; E20-S73 PolarHBondContact OE2-OG 3Å; V69-S73 PolarHBondContact O-N 2.88Å; V69-S73 PolarHBondContact O-OG 2.87Å; T70-S73 PolarHBondContact O-N 2.97Å; S73-I76 PolarHBondContact O-N 3.32Å; S73-M77 WeakPolarHBondContact O-CB 3.23Å; S73-M77 VanDerWaalsContact O-CG 3.32Å; S73-M77 WeakPolarHBondContact O-CG 3.49Å; S73-M77 PolarHBondContact O-N 2.95Å |
| 74 | V | 85.1 | Confident | 84.1 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 47% | 0.467 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 176.1 | 171 | 0 | 0 | 0 | 0 | 111.5 | T70 G71 K72 I76 M77 N78 | T70-V74 HydrophobicContact CG2-CG2 4.25Å; T70-V74 WeakPolarHBondContact O-CB 3.47Å; T70-V74 VanDerWaalsContact O-CG2 3.28Å; T70-V74 WeakPolarHBondContact O-CG2 3.33Å; T70-V74 PolarHBondContact O-N 3.03Å; G71-V74 PolarHBondContact O-N 3.12Å; K72-V74 VanDerWaalsContact C-N 3.34Å; K72-V74 PolarHBondContact O-N 3.05Å; V74-I76 VanDerWaalsContact C-N 3.34Å; V74-I76 PolarHBondContact O-N 3.36Å; V74-M77 PolarHBondContact O-N 3.49Å; V74-N78 VanDerWaalsContact O-CB 3.22Å; V74-N78 WeakPolarHBondContact O-CB 3.38Å; V74-N78 PolarHBondContact O-N 2.7Å |
| 75 | L | 82.3 | Confident | 83 | Confident | 74 Ų | 74 | 49.8 Ų | 49.8 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63 | -41 | 176.1 | -73.7 | 172.6 | 0 | 0 | 0 | 112 | G71 K72 S79 L171 | G71-L75 VanDerWaalsContact O-CG 3.29Å; G71-L75 WeakPolarHBondContact O-CG 3.46Å; G71-L75 PolarHBondContact O-N 3.43Å; K72-L75 PolarHBondContact O-N 3.41Å; L75-S79 VanDerWaalsContact O-CB 3.28Å; L75-S79 WeakPolarHBondContact O-CB 3.41Å; L75-S79 PolarHBondContact O-N 2.95Å; L75-S79 PolarHBondContact O-OG 3.26Å; L75-L171 HydrophobicContact CB-CD1 3.87Å |
| 76 | I | 80.2 | Confident | 81.8 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.3 | -55.5 | 174.5 | -69.5 | 172.7 | 0 | 0 | 0 | 109.8 | F16 K72 S73 V74 N78 S79 I80 L171 | F16-I76 HydrophobicContact CZ-CG2 3.73Å; K72-I76 HydrophobicContact CG-CD1 4.25Å; K72-I76 VanDerWaalsContact O-CG1 3.32Å; K72-I76 WeakPolarHBondContact O-CG1 3.49Å; K72-I76 PolarHBondContact O-N 2.98Å; S73-I76 PolarHBondContact O-N 3.32Å; V74-I76 VanDerWaalsContact C-N 3.34Å; V74-I76 PolarHBondContact O-N 3.36Å; I76-N78 PolarHBondContact O-N 3.39Å; I76-S79 PolarHBondContact O-N 2.88Å; I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 VanDerWaalsContact O-CG1 3.32Å; I76-I80 WeakPolarHBondContact O-CG1 3.42Å; I76-I80 PolarHBondContact O-N 3.42Å; I76-L171 HydrophobicContact CG1-CD1 3.83Å |
| 77 | M | 82 | Confident | 80.5 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 27% | 0.266 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | -178.4 | -71.2 | -59.8 | -156.9 | 0 | 0 | 112.8 | W17 E20 L24 S73 V74 S79 I80 A81 | W17-M77 HydrophobicContact CE3-CE 4.36Å; W17-M77 HydrophobicContact CZ3-CE 3.93Å; W17-M77 HydrophobicContact CZ3-SD 3.86Å; E20-M77 HydrophobicContact CB-CE 4.35Å; L24-M77 HydrophobicContact CD1-CE 3.4Å; L24-M77 VanDerWaalsContact CD1-CE 3.4Å; L24-M77 HydrophobicContact CD1-CG 4.08Å; S73-M77 WeakPolarHBondContact O-CB 3.23Å; S73-M77 VanDerWaalsContact O-CG 3.32Å; S73-M77 WeakPolarHBondContact O-CG 3.49Å; S73-M77 PolarHBondContact O-N 2.95Å; V74-M77 PolarHBondContact O-N 3.49Å; M77-S79 VanDerWaalsContact C-N 3.33Å; M77-S79 PolarHBondContact O-N 3.08Å; M77-I80 PolarHBondContact O-N 3.28Å; M77-A81 WeakPolarHBondContact O-CB 3.31Å; M77-A81 PolarHBondContact O-N 3.29Å |
| 78 | N | 82.5 | Confident | 79.2 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 178 | -173.4 | 20.3 | 0 | 0 | 0 | 111.8 | V74 I76 A81 R82 | V74-N78 VanDerWaalsContact O-CB 3.22Å; V74-N78 WeakPolarHBondContact O-CB 3.38Å; V74-N78 PolarHBondContact O-N 2.7Å; I76-N78 PolarHBondContact O-N 3.39Å; N78-A81 PolarHBondContact O-N 3.44Å; N78-R82 WeakPolarHBondContact O-CB 3.36Å; N78-R82 VanDerWaalsContact O-CG 3.3Å; N78-R82 WeakPolarHBondContact O-CG 3.32Å; N78-R82 PolarHBondContact O-N 2.84Å; N78-R82 PolarHBondContact OD1-NE 3.43Å |
| 79 | S | 78.6 | Confident | 77.8 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.1 | -34.3 | 178.6 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | L75 I76 M77 G83 R84 L88 | L75-S79 VanDerWaalsContact O-CB 3.28Å; L75-S79 WeakPolarHBondContact O-CB 3.41Å; L75-S79 PolarHBondContact O-N 2.95Å; L75-S79 PolarHBondContact O-OG 3.26Å; I76-S79 PolarHBondContact O-N 2.88Å; M77-S79 VanDerWaalsContact C-N 3.33Å; M77-S79 PolarHBondContact O-N 3.08Å; S79-G83 PolarHBondContact O-N 3.32Å; S79-R84 PolarHBondContact O-N 3.31Å; S79-L88 VanDerWaalsContact CB-CG 3.48Å; S79-L88 VanDerWaalsContact OG-CD2 3.25Å; S79-L88 WeakPolarHBondContact OG-CD2 3.44Å |
| 80 | I | 79.4 | Confident | 76.5 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -49.9 | 169.8 | -64.8 | 166.4 | 0 | 0 | 0 | 109.9 | F11 F16 W17 I76 M77 R82 G83 | F11-I80 HydrophobicContact CD1-CD1 3.82Å; F11-I80 HydrophobicContact CD1-CG1 4.28Å; F11-I80 HydrophobicContact CE1-CD1 3.57Å; F11-I80 HydrophobicContact CE1-CG1 3.83Å; F11-I80 HydrophobicContact CZ-CD1 4.25Å; F11-I80 HydrophobicContact CZ-CG1 3.99Å; F16-I80 HydrophobicContact CE1-CD1 4.4Å; W17-I80 HydrophobicContact CH2-CD1 3.79Å; W17-I80 HydrophobicContact CH2-CG2 4.25Å; W17-I80 HydrophobicContact CZ2-CD1 4.36Å; W17-I80 HydrophobicContact CZ3-CD1 4.42Å; I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 VanDerWaalsContact O-CG1 3.32Å; I76-I80 WeakPolarHBondContact O-CG1 3.42Å; I76-I80 PolarHBondContact O-N 3.42Å; M77-I80 PolarHBondContact O-N 3.28Å; I80-R82 PolarHBondContact O-N 3.47Å; I80-G83 PolarHBondContact O-N 3.49Å |
| 81 | A | 82.7 | Confident | 75.2 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 71% | 0.711 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.8 | -30.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M77 N78 | M77-A81 WeakPolarHBondContact O-CB 3.31Å; M77-A81 PolarHBondContact O-N 3.29Å; N78-A81 PolarHBondContact O-N 3.44Å |
| 82 | R | 82.8 | Confident | 74.3 | Confident | 163 Ų | 163 | 56.8 Ų | 56.8 | 62% | 0.615 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -0.8 | 176.3 | -68.4 | 179.3 | -176.6 | -158.2 | -4.8 | 114.2 | N78 I80 R84 | N78-R82 WeakPolarHBondContact O-CB 3.36Å; N78-R82 VanDerWaalsContact O-CG 3.3Å; N78-R82 WeakPolarHBondContact O-CG 3.32Å; N78-R82 PolarHBondContact O-N 2.84Å; N78-R82 PolarHBondContact OD1-NE 3.43Å; I80-R82 PolarHBondContact O-N 3.47Å; R82-R84 HydrophobicContact CB-CG 4.35Å; R82-R84 PolarHBondContact O-N 2.9Å |
| 83 | G | 74.9 | Confident | 73.6 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 54% | 0.536 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 18.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S79 I80 | S79-G83 PolarHBondContact O-N 3.32Å; I80-G83 PolarHBondContact O-N 3.49Å |
| 84 | R | 73.1 | Confident | 72.9 | Confident | 149 Ų | 149 | 61.8 Ų | 61.8 | 56% | 0.562 | 34% | 0.34 | S | S | * | . | trans | -104.3 | 34.9 | -177.2 | -65.3 | -173.3 | -176.7 | -176.7 | -0.1 | 112.1 | S79 R82 C86 M87 | S79-R84 PolarHBondContact O-N 3.31Å; R82-R84 HydrophobicContact CB-CG 4.35Å; R82-R84 PolarHBondContact O-N 2.9Å; R84-C86 VanDerWaalsContact C-N 3.25Å; R84-C86 PolarHBondContact O-N 3.42Å; R84-M87 HydrophobicContact CB-CG 4.4Å; R84-M87 HydrophobicContact CB-SD 4.19Å; R84-M87 HydrophobicContact CG-SD 4.47Å; R84-M87 WeakPolarHBondContact O-CB 3.47Å; R84-M87 PolarHBondContact O-N 3.44Å | ||
| 85 | F | 69 | Low | 72.5 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 20% | 0.202 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -65.4 | -26.7 | -170.7 | 55.5 | -94.4 | 0 | 0 | 0 | 113.8 | C4 E8 F11 M87 L88 | C4-F85 HydrophobicContact CB-CE2 4.13Å; E8-F85 HydrophobicContact CG-CD2 4.28Å; E8-F85 HydrophobicContact CG-CE2 3.4Å; E8-F85 VanDerWaalsContact CG-CE2 3.4Å; E8-F85 HydrophobicContact CG-CZ 3.79Å; E8-F85 WeakPolarHBondContact OE1-CE2 3.45Å; E8-F85 VanDerWaalsContact OE1-CZ 3.26Å; E8-F85 WeakPolarHBondContact OE1-CZ 3.42Å; F11-F85 HydrophobicContact CD2-CB 4.37Å; F11-F85 HydrophobicContact CD2-CD2 4.47Å; F11-F85 HydrophobicContact CD2-CG 4.41Å; F11-F85 HydrophobicContact CE2-CB 3.4Å; F11-F85 VanDerWaalsContact CE2-CB 3.4Å; F11-F85 AromaticContact CE2-CD2 3.92Å; F11-F85 HydrophobicContact CE2-CD2 3.92Å; F11-F85 AromaticContact CE2-CG 3.8Å; F11-F85 HydrophobicContact CE2-CG 3.8Å; F11-F85 HydrophobicContact CZ-CB 3.85Å; F85-M87 PolarHBondContact O-N 2.92Å; F85-L88 VanDerWaalsContact O-CB 3.3Å; F85-L88 WeakPolarHBondContact O-CB 3.36Å; F85-L88 PolarHBondContact O-N 2.82Å; F85-L88 VanDerWaalsContact O-N 3.1Å |
| 86 | C | 64.2 | Low | 72.2 | Confident | 37 Ų | 37 | 66.1 Ų | 66.1 | 25% | 0.25 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -68.2 | -14.9 | 174.3 | -44.1 | 0 | 0 | 0 | 0 | 113.7 | C4 R84 L88 N92 | C4-C86 HydrophobicContact CB-CB 4.23Å; C4-C86 WeakPolarHBondContact CB-SG 3.25Å; C4-C86 WeakPolarHBondContact SG-CB 3.35Å; C4-C86 CovalentContact SG-SG 2.01Å; C4-C86 PolarHBondContact SG-SG 2.92Å; R84-C86 VanDerWaalsContact C-N 3.25Å; R84-C86 PolarHBondContact O-N 3.42Å; C86-L88 VanDerWaalsContact C-N 3.26Å; C86-N92 PolarHBondContact O-ND2 3.49Å |
| 87 | M | 63.9 | Low | 72 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 60% | 0.596 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -76.4 | -15.4 | 173.8 | -67.5 | -172.3 | 158.7 | 0 | 0 | 112.4 | R84 F85 T89 | R84-M87 HydrophobicContact CB-CG 4.4Å; R84-M87 HydrophobicContact CB-SD 4.19Å; R84-M87 HydrophobicContact CG-SD 4.47Å; R84-M87 WeakPolarHBondContact O-CB 3.47Å; R84-M87 PolarHBondContact O-N 3.44Å; F85-M87 PolarHBondContact O-N 2.92Å; M87-T89 VanDerWaalsContact C-N 3.25Å; M87-T89 PolarHBondContact O-N 2.89Å |
| 88 | L | 63 | Low | 71.8 | Confident | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -78.6 | 0.2 | -177.8 | -70.9 | 172.3 | 0 | 0 | 0 | 114.5 | F11 S79 F85 C86 P170 L171 | F11-L88 HydrophobicContact CZ-CD1 4.3Å; S79-L88 VanDerWaalsContact CB-CG 3.48Å; S79-L88 VanDerWaalsContact OG-CD2 3.25Å; S79-L88 WeakPolarHBondContact OG-CD2 3.44Å; F85-L88 VanDerWaalsContact O-CB 3.3Å; F85-L88 WeakPolarHBondContact O-CB 3.36Å; F85-L88 PolarHBondContact O-N 2.82Å; F85-L88 VanDerWaalsContact O-N 3.1Å; C86-L88 VanDerWaalsContact C-N 3.26Å; L88-P170 HydrophobicContact CB-CB 4.47Å; L88-P170 WeakPolarHBondContact O-CA 3.23Å; L88-L171 HydrophobicContact CD2-CD1 3.55Å; L88-L171 HydrophobicContact CD2-CG 3.96Å; L88-L171 PolarHBondContact O-N 3.05Å |
| 89 | T | 60.8 | Low | 71.8 | Confident | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -71.9 | 136.2 | -178 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | M87 T91 N92 P168 | M87-T89 VanDerWaalsContact C-N 3.25Å; M87-T89 PolarHBondContact O-N 2.89Å; T89-T91 WeakPolarHBondContact CB-OG1 3.41Å; T89-T91 PolarHBondContact O-N 3.04Å; T89-T91 PolarHBondContact OG1-OG1 3.23Å; T89-N92 PolarHBondContact O-N 3.34Å; T89-N92 PolarHBondContact OG1-ND2 2.85Å; T89-N92 VanDerWaalsContact OG1-ND2 3.1Å; T89-P168 HydrophobicContact CG2-CB 4.38Å |
| 90 | S | 59.4 | Low | 72 | Confident | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -26.9 | 173.1 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | K167 L169 | S90-K167 PolarHBondContact OG-O 3.01Å; S90-L169 PolarHBondContact N-O 2.91Å |
| 91 | T | 62.1 | Low | 72 | Confident | 73 Ų | 73 | 66.9 Ų | 66.9 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -28.6 | 178.2 | 55.8 | 0 | 0 | 0 | 0 | 114 | T89 | T89-T91 WeakPolarHBondContact CB-OG1 3.41Å; T89-T91 PolarHBondContact O-N 3.04Å; T89-T91 PolarHBondContact OG1-OG1 3.23Å |
| 92 | N | 65.5 | Low | 72.1 | Confident | 95 Ų | 95 | 63.3 Ų | 63.3 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -23.8 | -177.5 | -70.6 | -24.6 | 0 | 0 | 0 | 112.8 | C86 T89 | C86-N92 PolarHBondContact O-ND2 3.49Å; T89-N92 PolarHBondContact O-N 3.34Å; T89-N92 PolarHBondContact OG1-ND2 2.85Å; T89-N92 VanDerWaalsContact OG1-ND2 3.1Å |
| 93 | V | 69.7 | Low | 72.3 | Confident | 70 Ų | 70 | 59 Ų | 59 | 42% | 0.424 | 31% | 0.314 | S | S | . | . | trans | -137.1 | 61.6 | -176.9 | -153 | 0 | 0 | 0 | 0 | 111.6 | Q95 L96 C97 | V93-Q95 PolarHBondContact O-N 3.43Å; V93-L96 HydrophobicContact CB-CB 4.18Å; V93-L96 HydrophobicContact CG1-CB 3.41Å; V93-L96 VanDerWaalsContact CG1-CB 3.41Å; V93-L96 HydrophobicContact CG1-CD2 3.97Å; V93-L96 HydrophobicContact CG1-CG 4.34Å; V93-L96 PolarHBondContact O-N 3.5Å; V93-C97 PolarHBondContact O-N 3.43Å; V93-C97 VanDerWaalsContact O-N 3.11Å | ||
| 94 | P | 69.7 | Low | 72.9 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | -170.6 | 22.2 | -33.2 | 0 | 0 | 0 | 113.4 | C97 S98 Q165 | P94-C97 WeakPolarHBondContact O-CB 3.34Å; P94-C97 PolarHBondContact O-N 3.29Å; P94-S98 PolarHBondContact O-N 2.91Å; P94-S98 PolarHBondContact O-OG 3.13Å; P94-Q165 VanDerWaalsContact CB-NE2 3.31Å; P94-Q165 VanDerWaalsContact CB-OE1 3.29Å |
| 95 | Q | 76.5 | Confident | 73.6 | Confident | 170 Ų | 170 | 49.9 Ų | 49.9 | 79% | 0.794 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.2 | -44.4 | -179.2 | -68.5 | 179.5 | -15.9 | 0 | 0 | 112.3 | V93 C97 S98 F99 | V93-Q95 PolarHBondContact O-N 3.43Å; Q95-C97 PolarHBondContact O-N 2.84Å; Q95-S98 PolarHBondContact O-N 3.1Å; Q95-F99 WeakPolarHBondContact O-CB 3.44Å; Q95-F99 PolarHBondContact O-N 2.75Å |
| 96 | L | 76.5 | Confident | 74.7 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 38% | 0.377 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.4 | -38.7 | 174.7 | -177.6 | 63.1 | 0 | 0 | 0 | 110 | V93 F99 Q100 | V93-L96 HydrophobicContact CB-CB 4.18Å; V93-L96 HydrophobicContact CG1-CB 3.41Å; V93-L96 VanDerWaalsContact CG1-CB 3.41Å; V93-L96 HydrophobicContact CG1-CD2 3.97Å; V93-L96 HydrophobicContact CG1-CG 4.34Å; V93-L96 PolarHBondContact O-N 3.5Å; L96-F99 PolarHBondContact O-N 3.34Å; L96-Q100 HydrophobicContact CD1-CG 4.25Å; L96-Q100 HydrophobicContact CG-CG 4.36Å; L96-Q100 WeakPolarHBondContact O-CB 3.27Å; L96-Q100 VanDerWaalsContact O-CG 3.26Å; L96-Q100 WeakPolarHBondContact O-CG 3.38Å; L96-Q100 PolarHBondContact O-N 2.93Å |
| 97 | C | 76.3 | Confident | 76.1 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.1 | -47.5 | -179.2 | -165.6 | 0 | 0 | 0 | 0 | 113.6 | V93 P94 Q95 F99 Q100 T101 C172 | V93-C97 PolarHBondContact O-N 3.43Å; V93-C97 VanDerWaalsContact O-N 3.11Å; P94-C97 WeakPolarHBondContact O-CB 3.34Å; P94-C97 PolarHBondContact O-N 3.29Å; Q95-C97 PolarHBondContact O-N 2.84Å; C97-F99 VanDerWaalsContact C-N 3.34Å; C97-Q100 PolarHBondContact O-N 3.24Å; C97-T101 VanDerWaalsContact O-CB 3.28Å; C97-T101 WeakPolarHBondContact O-CB 3.45Å; C97-T101 PolarHBondContact O-N 2.91Å; C97-T101 PolarHBondContact O-OG1 3.48Å; C97-C172 WeakPolarHBondContact CA-SG 3.35Å; C97-C172 HydrophobicContact CB-CB 4.29Å; C97-C172 WeakPolarHBondContact CB-SG 3.22Å; C97-C172 WeakPolarHBondContact SG-CA 3.49Å; C97-C172 WeakPolarHBondContact SG-CB 3.25Å; C97-C172 CovalentContact SG-SG 2.01Å; C97-C172 PolarHBondContact SG-SG 3.33Å |
| 98 | S | 77.9 | Confident | 77.3 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 16% | 0.161 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 174.5 | -72.8 | 0 | 0 | 0 | 0 | 111.6 | P94 Q95 G102 V160 | P94-S98 PolarHBondContact O-N 2.91Å; P94-S98 PolarHBondContact O-OG 3.13Å; Q95-S98 PolarHBondContact O-N 3.1Å; S98-G102 PolarHBondContact O-N 2.8Å; S98-V160 WeakPolarHBondContact O-CG2 3.34Å |
| 99 | F | 81.2 | Confident | 78.7 | Confident | 138 Ų | 138 | 42.2 Ų | 42.2 | 61% | 0.605 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64 | -48.5 | 178.2 | 179.9 | -105.7 | 0 | 0 | 0 | 112.4 | Q95 L96 C97 T101 G102 I103 | Q95-F99 WeakPolarHBondContact O-CB 3.44Å; Q95-F99 PolarHBondContact O-N 2.75Å; L96-F99 PolarHBondContact O-N 3.34Å; C97-F99 VanDerWaalsContact C-N 3.34Å; F99-T101 PolarHBondContact O-N 3.22Å; F99-G102 PolarHBondContact O-N 2.94Å; F99-I103 HydrophobicContact CD1-CD1 3.87Å; F99-I103 HydrophobicContact CD2-CD1 4.46Å; F99-I103 HydrophobicContact CE1-CD1 3.3Å; F99-I103 HydrophobicContact CE1-CG1 4.44Å; F99-I103 HydrophobicContact CE2-CD1 3.96Å; F99-I103 HydrophobicContact CE2-CG1 4.48Å; F99-I103 HydrophobicContact CG-CD1 4.43Å; F99-I103 HydrophobicContact CZ-CD1 3.37Å; F99-I103 HydrophobicContact CZ-CG1 4.34Å; F99-I103 PolarHBondContact O-N 3.11Å |
| 100 | Q | 82.7 | Confident | 80.3 | Confident | 34 Ų | 34 | 42 Ų | 42 | 16% | 0.159 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.2 | -48 | 176.6 | -84.9 | -177 | -13.2 | 0 | 0 | 112.1 | Y68 L96 C97 G102 I103 F104 | Y68-Q100 HydrophobicContact CE2-CB 3.63Å; Y68-Q100 HydrophobicContact CE2-CG 3.98Å; Y68-Q100 VanDerWaalsContact CE2-O 3.32Å; Y68-Q100 WeakPolarHBondContact CE2-O 3.28Å; L96-Q100 HydrophobicContact CD1-CG 4.25Å; L96-Q100 HydrophobicContact CG-CG 4.36Å; L96-Q100 WeakPolarHBondContact O-CB 3.27Å; L96-Q100 VanDerWaalsContact O-CG 3.26Å; L96-Q100 WeakPolarHBondContact O-CG 3.38Å; L96-Q100 PolarHBondContact O-N 2.93Å; C97-Q100 PolarHBondContact O-N 3.24Å; Q100-G102 VanDerWaalsContact C-N 3.33Å; Q100-G102 PolarHBondContact O-N 2.88Å; Q100-I103 PolarHBondContact O-N 3.5Å; Q100-F104 WeakPolarHBondContact O-CB 3.26Å; Q100-F104 PolarHBondContact O-N 2.96Å |
| 101 | T | 80.4 | Confident | 81.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | C97 F99 F104 I105 E174 | C97-T101 VanDerWaalsContact O-CB 3.28Å; C97-T101 WeakPolarHBondContact O-CB 3.45Å; C97-T101 PolarHBondContact O-N 2.91Å; C97-T101 PolarHBondContact O-OG1 3.48Å; F99-T101 PolarHBondContact O-N 3.22Å; T101-F104 PolarHBondContact O-N 2.65Å; T101-I105 HydrophobicContact CG2-CD1 3.57Å; T101-I105 HydrophobicContact CG2-CG1 4.27Å; T101-I105 WeakPolarHBondContact O-CB 3.47Å; T101-I105 VanDerWaalsContact O-CG1 3.24Å; T101-I105 WeakPolarHBondContact O-CG1 3.1Å; T101-I105 PolarHBondContact O-N 3.37Å; T101-E174 HydrophobicContact CG2-CB 3.98Å; T101-E174 HydrophobicContact CG2-CG 3.85Å |
| 102 | G | 84.6 | Confident | 83.3 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S98 F99 Q100 A106 V160 | S98-G102 PolarHBondContact O-N 2.8Å; F99-G102 PolarHBondContact O-N 2.94Å; Q100-G102 VanDerWaalsContact C-N 3.33Å; Q100-G102 PolarHBondContact O-N 2.88Å; G102-A106 VanDerWaalsContact O-CB 3.23Å; G102-A106 WeakPolarHBondContact O-CB 3.27Å; G102-A106 PolarHBondContact O-N 3.4Å; G102-V160 VanDerWaalsContact CA-CG2 3.48Å |
| 103 | I | 87.3 | Confident | 84.6 | Confident | 71 Ų | 71 | 34.7 Ų | 34.7 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.2 | -51.4 | 177 | -70.7 | 174.8 | 0 | 0 | 0 | 110.4 | F99 Q100 I105 A106 T107 | F99-I103 HydrophobicContact CD1-CD1 3.87Å; F99-I103 HydrophobicContact CD2-CD1 4.46Å; F99-I103 HydrophobicContact CE1-CD1 3.3Å; F99-I103 HydrophobicContact CE1-CG1 4.44Å; F99-I103 HydrophobicContact CE2-CD1 3.96Å; F99-I103 HydrophobicContact CE2-CG1 4.48Å; F99-I103 HydrophobicContact CG-CD1 4.43Å; F99-I103 HydrophobicContact CZ-CD1 3.37Å; F99-I103 HydrophobicContact CZ-CG1 4.34Å; F99-I103 PolarHBondContact O-N 3.11Å; Q100-I103 PolarHBondContact O-N 3.5Å; I103-I105 VanDerWaalsContact C-N 3.34Å; I103-I105 PolarHBondContact O-N 2.79Å; I103-A106 PolarHBondContact O-N 3.14Å; I103-T107 HydrophobicContact CG2-CG2 4.5Å; I103-T107 PolarHBondContact O-N 2.89Å; I103-T107 PolarHBondContact O-OG1 3.01Å |
| 104 | F | 88.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | -175.9 | 179 | -96.3 | 0 | 0 | 0 | 112.4 | N65 Y68 V69 Q100 T101 T107 L108 E174 F288 Y289 V292 | N65-F104 HydrophobicContact CB-CE2 4.43Å; Y68-F104 HydrophobicContact CD1-CB 4.05Å; Y68-F104 AromaticContact CD1-CD2 3.25Å; Y68-F104 HydrophobicContact CD1-CD2 3.25Å; Y68-F104 AromaticContact CD1-CE2 3.92Å; Y68-F104 HydrophobicContact CD1-CE2 3.92Å; Y68-F104 AromaticContact CD1-CG 3.81Å; Y68-F104 HydrophobicContact CD1-CG 3.81Å; Y68-F104 HydrophobicContact CD2-CB 4.18Å; Y68-F104 HydrophobicContact CE1-CB 3.87Å; Y68-F104 AromaticContact CE1-CD2 3.65Å; Y68-F104 HydrophobicContact CE1-CD2 3.65Å; Y68-F104 HydrophobicContact CE1-CE2 4.35Å; Y68-F104 AromaticContact CE1-CG 3.73Å; Y68-F104 HydrophobicContact CE1-CG 3.73Å; Y68-F104 HydrophobicContact CE2-CB 4Å; Y68-F104 HydrophobicContact CG-CB 4.2Å; Y68-F104 AromaticContact CG-CD2 3.81Å; Y68-F104 HydrophobicContact CG-CD2 3.81Å; Y68-F104 HydrophobicContact CG-CG 4.36Å; V69-F104 HydrophobicContact CG2-CE2 4.37Å; Q100-F104 WeakPolarHBondContact O-CB 3.26Å; Q100-F104 PolarHBondContact O-N 2.96Å; T101-F104 PolarHBondContact O-N 2.65Å; F104-T107 WeakPolarHBondContact CA-OG1 3.19Å; F104-T107 PolarHBondContact O-OG1 3.26Å; F104-L108 HydrophobicContact CE1-CD2 4.37Å; F104-L108 WeakPolarHBondContact O-CB 3.36Å; F104-L108 PolarHBondContact O-N 3.48Å; F104-E174 HydrophobicContact CD1-CB 4.49Å; F104-E174 HydrophobicContact CD1-CG 4.12Å; F104-F288 AromaticContact CE1-CE1 3.59Å; F104-F288 HydrophobicContact CE1-CE1 3.59Å; F104-F288 AromaticContact CE1-CZ 4Å; F104-F288 HydrophobicContact CE1-CZ 4Å; F104-F288 AromaticContact CZ-CE1 3.87Å; F104-F288 HydrophobicContact CZ-CE1 3.87Å; F104-F288 HydrophobicContact CZ-CZ 4.38Å; F104-Y289 HydrophobicContact CE1-CE1 4.25Å; F104-Y289 HydrophobicContact CE2-CD1 4.43Å; F104-Y289 HydrophobicContact CE2-CE1 4.27Å; F104-Y289 AromaticContact CZ-CD1 4Å; F104-Y289 HydrophobicContact CZ-CD1 4Å; F104-Y289 AromaticContact CZ-CE1 3.86Å; F104-Y289 HydrophobicContact CZ-CE1 3.86Å; F104-V292 HydrophobicContact CZ-CG1 4.49Å |
| 105 | I | 87.6 | Confident | 86.9 | Confident | 9 Ų | 9 | 29.4 Ų | 29.4 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.2 | -40.7 | 176 | -68.5 | 177.7 | 0 | 0 | 0 | 111 | T101 I103 L108 F109 A156 I159 I178 | T101-I105 HydrophobicContact CG2-CD1 3.57Å; T101-I105 HydrophobicContact CG2-CG1 4.27Å; T101-I105 WeakPolarHBondContact O-CB 3.47Å; T101-I105 VanDerWaalsContact O-CG1 3.24Å; T101-I105 WeakPolarHBondContact O-CG1 3.1Å; T101-I105 PolarHBondContact O-N 3.37Å; I103-I105 VanDerWaalsContact C-N 3.34Å; I103-I105 PolarHBondContact O-N 2.79Å; I105-L108 PolarHBondContact O-N 3.12Å; I105-F109 HydrophobicContact CG2-CD2 3.7Å; I105-F109 HydrophobicContact CG2-CE1 4.49Å; I105-F109 HydrophobicContact CG2-CE2 3.47Å; I105-F109 VanDerWaalsContact CG2-CE2 3.47Å; I105-F109 HydrophobicContact CG2-CG 4.31Å; I105-F109 HydrophobicContact CG2-CZ 3.9Å; I105-F109 WeakPolarHBondContact O-CB 3.16Å; I105-F109 WeakPolarHBondContact O-CG 3.3Å; I105-F109 PolarHBondContact O-N 2.87Å; I105-A156 HydrophobicContact CG2-CB 4.17Å; I105-I159 HydrophobicContact CD1-CB 4.39Å; I105-I159 HydrophobicContact CD1-CD1 4.28Å; I105-I159 HydrophobicContact CD1-CG2 3.6Å; I105-I159 HydrophobicContact CG2-CD1 3.69Å; I105-I178 HydrophobicContact CD1-CD1 4.42Å |
| 106 | A | 91.6 | Very high | 87.7 | Confident | 10 Ų | 10 | 23.1 Ų | 23.1 | 8% | 0.083 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G102 I103 S110 W149 A156 | G102-A106 VanDerWaalsContact O-CB 3.23Å; G102-A106 WeakPolarHBondContact O-CB 3.27Å; G102-A106 PolarHBondContact O-N 3.4Å; I103-A106 PolarHBondContact O-N 3.14Å; A106-S110 WeakPolarHBondContact O-CB 3.37Å; A106-S110 PolarHBondContact O-N 2.9Å; A106-W149 HydrophobicContact CB-CZ3 4.5Å; A106-A156 HydrophobicContact CB-CB 3.89Å |
| 107 | T | 92.5 | Very high | 88.6 | Confident | 6 Ų | 6 | 19.9 Ų | 19.9 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67 | -40 | 176.3 | 47.8 | 0 | 0 | 0 | 0 | 111.5 | F64 N65 I103 F104 S110 T111 W149 | F64-T107 HydrophobicContact CB-CG2 4.02Å; N65-T107 VanDerWaalsContact OD1-CB 3.31Å; N65-T107 WeakPolarHBondContact OD1-CB 3.47Å; N65-T107 PolarHBondContact OD1-OG1 3.32Å; I103-T107 HydrophobicContact CG2-CG2 4.5Å; I103-T107 PolarHBondContact O-N 2.89Å; I103-T107 PolarHBondContact O-OG1 3.01Å; F104-T107 WeakPolarHBondContact CA-OG1 3.19Å; F104-T107 PolarHBondContact O-OG1 3.26Å; T107-S110 WeakPolarHBondContact O-CB 3.34Å; T107-S110 PolarHBondContact O-N 2.93Å; T107-T111 WeakPolarHBondContact O-CG2 3.48Å; T107-T111 PolarHBondContact O-N 3.45Å; T107-T111 VanDerWaalsContact O-N 3.12Å; T107-W149 HydrophobicContact CG2-CH2 4.34Å |
| 108 | L | 90.1 | Very high | 89.4 | Confident | 7 Ų | 7 | 19.5 Ų | 19.5 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | 176.4 | -175.5 | 70.1 | 0 | 0 | 0 | 112.6 | F104 I105 S110 T111 W253 F288 V292 | F104-L108 HydrophobicContact CE1-CD2 4.37Å; F104-L108 WeakPolarHBondContact O-CB 3.36Å; F104-L108 PolarHBondContact O-N 3.48Å; I105-L108 PolarHBondContact O-N 3.12Å; L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 3.2Å; L108-T111 PolarHBondContact O-N 3.01Å; L108-T111 PolarHBondContact O-OG1 2.94Å; L108-W253 HydrophobicContact CD1-CH2 3.95Å; L108-W253 HydrophobicContact CD1-CZ2 3.61Å; L108-W253 HydrophobicContact CD2-CH2 3.7Å; L108-W253 HydrophobicContact CD2-CZ2 4.24Å; L108-W253 HydrophobicContact CG-CH2 3.55Å; L108-W253 HydrophobicContact CG-CZ2 3.63Å; L108-F288 HydrophobicContact CD2-CE2 4.1Å; L108-F288 HydrophobicContact CD2-CZ 3.55Å; L108-V292 HydrophobicContact CD1-CG1 4.33Å; L108-V292 HydrophobicContact CD1-CG2 3.8Å |
| 109 | F | 91.8 | Very high | 90.1 | Very high | 29 Ų | 29 | 19.5 Ų | 19.5 | 13% | 0.127 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.2 | -29 | 174.8 | -68.9 | -18.6 | 0 | 0 | 0 | 112.2 | I105 T111 V112 G113 T152 C155 I159 I186 W253 | I105-F109 HydrophobicContact CG2-CD2 3.7Å; I105-F109 HydrophobicContact CG2-CE1 4.49Å; I105-F109 HydrophobicContact CG2-CE2 3.47Å; I105-F109 VanDerWaalsContact CG2-CE2 3.47Å; I105-F109 HydrophobicContact CG2-CG 4.31Å; I105-F109 HydrophobicContact CG2-CZ 3.9Å; I105-F109 WeakPolarHBondContact O-CB 3.16Å; I105-F109 WeakPolarHBondContact O-CG 3.3Å; I105-F109 PolarHBondContact O-N 2.87Å; F109-T111 VanDerWaalsContact C-N 3.28Å; F109-T111 PolarHBondContact O-N 3.16Å; F109-V112 PolarHBondContact O-N 2.79Å; F109-G113 PolarHBondContact O-N 3.36Å; F109-T152 VanDerWaalsContact C-CG2 3.49Å; F109-T152 HydrophobicContact CB-CG2 3.74Å; F109-C155 HydrophobicContact CD2-CB 3.99Å; F109-C155 HydrophobicContact CE2-CB 4.04Å; F109-I159 HydrophobicContact CE2-CD1 3.54Å; F109-I159 HydrophobicContact CZ-CD1 3.87Å; F109-I186 HydrophobicContact CE1-CG2 3.71Å; F109-I186 HydrophobicContact CZ-CB 4.43Å; F109-I186 HydrophobicContact CZ-CD1 4.04Å; F109-I186 HydrophobicContact CZ-CG1 3.96Å; F109-I186 HydrophobicContact CZ-CG2 3.57Å; F109-W253 HydrophobicContact CD1-CH2 4.47Å |
| 110 | S | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.6 | -34.3 | 172.7 | -170.7 | 0 | 0 | 0 | 0 | 111.7 | N57 C61 A106 T107 L108 G113 T114 W149 | N57-S110 PolarHBondContact ND2-OG 3.36Å; N57-S110 VanDerWaalsContact ND2-OG 3.16Å; C61-S110 PolarHBondContact SG-OG 2.65Å; C61-S110 VanDerWaalsContact SG-OG 3.38Å; A106-S110 WeakPolarHBondContact O-CB 3.37Å; A106-S110 PolarHBondContact O-N 2.9Å; T107-S110 WeakPolarHBondContact O-CB 3.34Å; T107-S110 PolarHBondContact O-N 2.93Å; L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 3.2Å; S110-G113 PolarHBondContact O-N 3.4Å; S110-T114 VanDerWaalsContact O-CB 3.29Å; S110-T114 WeakPolarHBondContact O-CB 3.38Å; S110-T114 PolarHBondContact O-N 3.34Å; S110-T114 PolarHBondContact O-OG1 2.8Å; S110-W149 WeakPolarHBondContact OG-CZ2 3.45Å |
| 111 | T | 92.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.012 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 173.5 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | L58 C61 T107 L108 F109 T114 F115 | L58-T111 HydrophobicContact CD1-CG2 3.95Å; C61-T111 HydrophobicContact CB-CG2 3.72Å; T107-T111 WeakPolarHBondContact O-CG2 3.48Å; T107-T111 PolarHBondContact O-N 3.45Å; T107-T111 VanDerWaalsContact O-N 3.12Å; L108-T111 PolarHBondContact O-N 3.01Å; L108-T111 PolarHBondContact O-OG1 2.94Å; F109-T111 VanDerWaalsContact C-N 3.28Å; F109-T111 PolarHBondContact O-N 3.16Å; T111-T114 WeakPolarHBondContact O-CB 3.47Å; T111-T114 PolarHBondContact O-N 2.82Å; T111-F115 VanDerWaalsContact O-CD2 3.27Å; T111-F115 WeakPolarHBondContact O-CD2 3.45Å; T111-F115 PolarHBondContact O-N 3.01Å |
| 112 | V | 91.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 3% | 0.03 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.9 | -49 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | F109 T114 F115 A116 I193 W253 | F109-V112 PolarHBondContact O-N 2.79Å; V112-T114 PolarHBondContact O-N 2.84Å; V112-F115 PolarHBondContact O-N 3.44Å; V112-A116 PolarHBondContact O-N 2.84Å; V112-A116 VanDerWaalsContact O-N 3.11Å; V112-I193 HydrophobicContact CG1-CG2 4.07Å; V112-W253 HydrophobicContact CG2-CD2 3.84Å; V112-W253 HydrophobicContact CG2-CE3 4.43Å; V112-W253 HydrophobicContact CG2-CG 4.41Å; V112-W253 HydrophobicContact CG2-CH2 3.84Å; V112-W253 HydrophobicContact CG2-CZ2 3.17Å; V112-W253 HydrophobicContact CG2-CZ3 4.43Å |
| 113 | G | 93.5 | Very high | 92.1 | Very high | 17 Ų | 17 | 17 Ų | 17 | 18% | 0.175 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.6 | -34.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F109 S110 A116 A117 V148 | F109-G113 PolarHBondContact O-N 3.36Å; S110-G113 PolarHBondContact O-N 3.4Å; G113-A116 WeakPolarHBondContact O-CB 3.44Å; G113-A116 PolarHBondContact O-N 2.61Å; G113-A117 WeakPolarHBondContact O-CB 3.31Å; G113-A117 PolarHBondContact O-N 3.24Å; G113-V148 VanDerWaalsContact O-CG2 3.27Å; G113-V148 WeakPolarHBondContact O-CG2 3.36Å |
| 114 | T | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.6 | -39.3 | 176.5 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | L54 N57 L58 S110 T111 V112 A117 M118 | L54-T114 HydrophobicContact CB-CG2 4.05Å; L54-T114 HydrophobicContact CD2-CG2 4.21Å; L54-T114 WeakPolarHBondContact O-CG2 3.4Å; N57-T114 PolarHBondContact ND2-OG1 3.01Å; L58-T114 HydrophobicContact CB-CG2 4.28Å; S110-T114 VanDerWaalsContact O-CB 3.29Å; S110-T114 WeakPolarHBondContact O-CB 3.38Å; S110-T114 PolarHBondContact O-N 3.34Å; S110-T114 PolarHBondContact O-OG1 2.8Å; T111-T114 WeakPolarHBondContact O-CB 3.47Å; T111-T114 PolarHBondContact O-N 2.82Å; V112-T114 PolarHBondContact O-N 2.84Å; T114-A117 CarbonylContact O-C 3.57Å; T114-A117 WeakPolarHBondContact O-CB 3.49Å; T114-A117 PolarHBondContact O-N 3.26Å; T114-M118 HydrophobicContact CG2-CE 4Å; T114-M118 WeakPolarHBondContact O-CG 3.45Å; T114-M118 PolarHBondContact O-N 3.13Å |
| 115 | F | 93.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.1 | -41 | 173.1 | -79.8 | -73.1 | 0 | 0 | 0 | 112.1 | L58 T111 V112 A117 M118 H119 S245 I246 N249 H299 | L58-F115 HydrophobicContact CD1-CE2 3.88Å; L58-F115 HydrophobicContact CD1-CZ 4.46Å; L58-F115 HydrophobicContact CD2-CE2 4.02Å; L58-F115 HydrophobicContact CD2-CZ 3.76Å; T111-F115 VanDerWaalsContact O-CD2 3.27Å; T111-F115 WeakPolarHBondContact O-CD2 3.45Å; T111-F115 PolarHBondContact O-N 3.01Å; V112-F115 PolarHBondContact O-N 3.44Å; F115-A117 VanDerWaalsContact C-N 3.3Å; F115-A117 PolarHBondContact O-N 3.35Å; F115-M118 HydrophobicContact CD1-SD 4.1Å; F115-M118 HydrophobicContact CE1-SD 4.3Å; F115-M118 WeakPolarHBondContact O-CB 3.3Å; F115-M118 PolarHBondContact O-N 2.96Å; F115-M118 VanDerWaalsContact O-N 3.14Å; F115-H119 PolarHBondContact O-CD2 3.46Å; F115-H119 VanDerWaalsContact O-CD2 3.22Å; F115-H119 VanDerWaalsContact O-CG 3.3Å; F115-H119 PolarHBondContact O-N 3.48Å; F115-S245 WeakPolarHBondContact CE1-OG 3.45Å; F115-S245 VanDerWaalsContact CZ-OG 3.32Å; F115-S245 WeakPolarHBondContact CZ-OG 3.47Å; F115-I246 HydrophobicContact CD1-CG1 3.7Å; F115-I246 HydrophobicContact CE1-CG1 3.93Å; F115-N249 HydrophobicContact CD1-CB 4.49Å; F115-N249 HydrophobicContact CD2-CB 3.94Å; F115-N249 WeakPolarHBondContact CD2-ND2 3.5Å; F115-N249 WeakPolarHBondContact CD2-OD1 3.29Å; F115-N249 HydrophobicContact CE1-CB 4.26Å; F115-N249 HydrophobicContact CE2-CB 3.65Å; F115-N249 VanDerWaalsContact CE2-OD1 3.31Å; F115-N249 WeakPolarHBondContact CE2-OD1 3.36Å; F115-N249 HydrophobicContact CG-CB 4.35Å; F115-N249 HydrophobicContact CZ-CB 3.83Å; F115-H299 AromaticContact CE2-CE1 3.99Å; F115-H299 AromaticContact CZ-CE1 3.53Å |
| 116 | A | 92.9 | Very high | 92.3 | Very high | 38 Ų | 38 | 18.6 Ų | 18.6 | 31% | 0.314 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V112 G113 H119 A120 I193 | V112-A116 PolarHBondContact O-N 2.84Å; V112-A116 VanDerWaalsContact O-N 3.11Å; G113-A116 WeakPolarHBondContact O-CB 3.44Å; G113-A116 PolarHBondContact O-N 2.61Å; A116-H119 WeakPolarHBondContact O-CB 3.44Å; A116-H119 PolarHBondContact O-N 3.13Å; A116-A120 PolarHBondContact O-N 3.22Å; A116-I193 HydrophobicContact CB-CG2 4.15Å |
| 117 | A | 94.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 24 Ų | 24 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L54 G113 T114 F115 H119 A120 E121 L144 V148 | L54-A117 HydrophobicContact CD1-CB 4.47Å; L54-A117 HydrophobicContact CD2-CB 3.69Å; G113-A117 WeakPolarHBondContact O-CB 3.31Å; G113-A117 PolarHBondContact O-N 3.24Å; T114-A117 CarbonylContact O-C 3.57Å; T114-A117 WeakPolarHBondContact O-CB 3.49Å; T114-A117 PolarHBondContact O-N 3.26Å; F115-A117 VanDerWaalsContact C-N 3.3Å; F115-A117 PolarHBondContact O-N 3.35Å; A117-H119 VanDerWaalsContact C-N 3.33Å; A117-H119 PolarHBondContact O-N 3.25Å; A117-A120 PolarHBondContact O-N 3.48Å; A117-E121 VanDerWaalsContact O-CB 3.23Å; A117-E121 WeakPolarHBondContact O-CB 3.27Å; A117-E121 PolarHBondContact O-N 3.47Å; A117-L144 HydrophobicContact CB-CB 3.96Å; A117-L144 HydrophobicContact CB-CD1 4.33Å; A117-V148 HydrophobicContact CB-CG2 4.08Å |
| 118 | M | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -39.8 | 173 | -71 | 179.6 | -169.3 | 0 | 0 | 111.6 | L54 L55 L58 T114 F115 E121 R122 L242 | L54-M118 HydrophobicContact CB-CE 4.04Å; L54-M118 HydrophobicContact CB-CG 4.02Å; L54-M118 HydrophobicContact CD1-CB 4.41Å; L54-M118 HydrophobicContact CD1-CG 3.81Å; L54-M118 HydrophobicContact CG-CG 4.5Å; L55-M118 HydrophobicContact CD2-CE 3.53Å; L55-M118 HydrophobicContact CG-CE 4.13Å; L58-M118 HydrophobicContact CD2-CE 4.23Å; T114-M118 HydrophobicContact CG2-CE 4Å; T114-M118 WeakPolarHBondContact O-CG 3.45Å; T114-M118 PolarHBondContact O-N 3.13Å; F115-M118 HydrophobicContact CD1-SD 4.1Å; F115-M118 HydrophobicContact CE1-SD 4.3Å; F115-M118 WeakPolarHBondContact O-CB 3.3Å; F115-M118 PolarHBondContact O-N 2.96Å; F115-M118 VanDerWaalsContact O-N 3.14Å; M118-E121 PolarHBondContact O-N 2.92Å; M118-R122 WeakPolarHBondContact O-CB 3.46Å; M118-R122 VanDerWaalsContact O-CG 3.3Å; M118-R122 WeakPolarHBondContact O-CG 3.32Å; M118-R122 PolarHBondContact O-N 3.3Å; M118-L242 HydrophobicContact SD-CD1 4.49Å; M118-L242 HydrophobicContact SD-CD2 4Å |
| 119 | H | 92 | Very high | 91.2 | Very high | 24 Ų | 24 | 30.2 Ų | 30.2 | 11% | 0.111 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 174.3 | -60.2 | -39.1 | 0 | 0 | 0 | 111.6 | F115 A116 A117 E121 R122 L123 Y201 | F115-H119 PolarHBondContact O-CD2 3.46Å; F115-H119 VanDerWaalsContact O-CD2 3.22Å; F115-H119 VanDerWaalsContact O-CG 3.3Å; F115-H119 PolarHBondContact O-N 3.48Å; A116-H119 WeakPolarHBondContact O-CB 3.44Å; A116-H119 PolarHBondContact O-N 3.13Å; A117-H119 VanDerWaalsContact C-N 3.33Å; A117-H119 PolarHBondContact O-N 3.25Å; H119-E121 VanDerWaalsContact C-N 3.34Å; H119-E121 PolarHBondContact O-N 3.13Å; H119-R122 PolarHBondContact O-N 2.85Å; H119-L123 VanDerWaalsContact O-CB 3.32Å; H119-L123 WeakPolarHBondContact O-CB 3.15Å; H119-L123 PolarHBondContact O-N 3.3Å; H119-Y201 AromaticContact CE1-CD2 3.83Å; H119-Y201 AromaticContact CE1-CG 3.91Å; H119-Y201 AromaticContact ND1-CD2 3.21Å; H119-Y201 WeakPolarHBondContact ND1-CD2 3.09Å; H119-Y201 AromaticContact ND1-CG 3.71Å |
| 120 | A | 93.1 | Very high | 90.2 | Very high | 44 Ų | 44 | 30.3 Ų | 30.3 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A116 A117 L123 Y124 L144 | A116-A120 PolarHBondContact O-N 3.22Å; A117-A120 PolarHBondContact O-N 3.48Å; A120-L123 PolarHBondContact O-N 3.01Å; A120-Y124 WeakPolarHBondContact O-CB 3.15Å; A120-Y124 PolarHBondContact O-N 3.25Å; A120-L144 HydrophobicContact CB-CD2 4.14Å |
| 121 | E | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | 179.3 | -170.1 | -81.4 | 164.2 | 0 | 0 | 111.6 | H48 N50 V51 L54 A117 M118 H119 Y124 A125 Y132 L140 L144 | H48-E121 IonicContact ND1-OE1 3.76Å; N50-E121 HydrophobicContact CB-CG 3.93Å; V51-E121 WeakPolarHBondContact CG2-OE2 3.35Å; L54-E121 HydrophobicContact CD1-CB 4Å; L54-E121 HydrophobicContact CD1-CG 4.2Å; A117-E121 VanDerWaalsContact O-CB 3.23Å; A117-E121 WeakPolarHBondContact O-CB 3.27Å; A117-E121 PolarHBondContact O-N 3.47Å; M118-E121 PolarHBondContact O-N 2.92Å; H119-E121 VanDerWaalsContact C-N 3.34Å; H119-E121 PolarHBondContact O-N 3.13Å; E121-Y124 PolarHBondContact O-N 2.95Å; E121-A125 WeakPolarHBondContact O-CB 3.39Å; E121-A125 PolarHBondContact O-N 3.22Å; E121-Y132 VanDerWaalsContact CD-OH 3.31Å; E121-Y132 WeakPolarHBondContact CG-OH 3.45Å; E121-Y132 WeakPolarHBondContact OE1-CE1 3.49Å; E121-Y132 VanDerWaalsContact OE1-CZ 3.32Å; E121-Y132 PolarHBondContact OE1-OH 3.33Å; E121-L140 HydrophobicContact CG-CD2 4.06Å; E121-L144 HydrophobicContact CB-CD1 3.89Å; E121-L144 HydrophobicContact CG-CD1 4.48Å |
| 122 | R | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -35.2 | 175.8 | -73 | -63.5 | 95.1 | -169.6 | 0.2 | 112.5 | M118 H119 A125 T126 E133 Y201 L204 M239 L242 | M118-R122 WeakPolarHBondContact O-CB 3.46Å; M118-R122 VanDerWaalsContact O-CG 3.3Å; M118-R122 WeakPolarHBondContact O-CG 3.32Å; M118-R122 PolarHBondContact O-N 3.3Å; H119-R122 PolarHBondContact O-N 2.85Å; R122-A125 PolarHBondContact O-N 3.29Å; R122-T126 WeakPolarHBondContact O-CB 3.38Å; R122-T126 PolarHBondContact O-N 3.4Å; R122-T126 PolarHBondContact O-OG1 2.95Å; R122-E133 IonicContact NH1-OE1 2.77Å; R122-Y201 HydrophobicContact CB-CE2 4.31Å; R122-Y201 HydrophobicContact CG-CE2 4.04Å; R122-L204 HydrophobicContact CB-CD2 4.11Å; R122-M239 HydrophobicContact CB-CE 3.7Å; R122-M239 HydrophobicContact CG-CE 4.27Å; R122-L242 HydrophobicContact CG-CD1 4.24Å |
| 123 | L | 91.8 | Very high | 88.1 | Confident | 87 Ų | 87 | 40.3 Ų | 40.3 | 46% | 0.455 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.5 | -47.4 | 172.5 | -179.2 | 63.1 | 0 | 0 | 0 | 110.6 | H119 A120 A125 T126 I127 L204 | H119-L123 VanDerWaalsContact O-CB 3.32Å; H119-L123 WeakPolarHBondContact O-CB 3.15Å; H119-L123 PolarHBondContact O-N 3.3Å; A120-L123 PolarHBondContact O-N 3.01Å; L123-A125 PolarHBondContact O-N 2.93Å; L123-T126 PolarHBondContact O-N 3.36Å; L123-I127 HydrophobicContact CD1-CD1 4.15Å; L123-I127 HydrophobicContact CG-CD1 3.99Å; L123-I127 WeakPolarHBondContact O-CG1 3.38Å; L123-I127 PolarHBondContact O-N 3.47Å; L123-L204 HydrophobicContact CB-CD2 4.28Å; L123-L204 HydrophobicContact CD1-CD1 4.05Å |
| 124 | Y | 92 | Very high | 87 | Confident | 103 Ų | 103 | 42.2 Ų | 42.2 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.4 | -46 | 175.9 | -174.6 | -90.4 | 0 | 0 | 0 | 112 | A120 E121 T126 I127 R128 Y132 L140 | A120-Y124 WeakPolarHBondContact O-CB 3.15Å; A120-Y124 PolarHBondContact O-N 3.25Å; E121-Y124 PolarHBondContact O-N 2.95Å; Y124-T126 VanDerWaalsContact C-N 3.26Å; Y124-T126 PolarHBondContact O-N 3.14Å; Y124-I127 PolarHBondContact O-N 3.41Å; Y124-R128 HydrophobicContact CE1-CB 4.28Å; Y124-R128 HydrophobicContact CE1-CG 4.09Å; Y124-R128 HydrophobicContact CE2-CG 4.21Å; Y124-R128 WeakPolarHBondContact O-CB 3.23Å; Y124-R128 PolarHBondContact O-N 3.11Å; Y124-Y132 AromaticContact CD1-CD2 3.64Å; Y124-Y132 HydrophobicContact CD1-CD2 3.64Å; Y124-Y132 AromaticContact CD1-CE2 3.63Å; Y124-Y132 HydrophobicContact CD1-CE2 3.63Å; Y124-Y132 HydrophobicContact CD1-CG 4.28Å; Y124-Y132 AromaticContact CE1-CD2 3.46Å; Y124-Y132 HydrophobicContact CE1-CD2 3.46Å; Y124-Y132 VanDerWaalsContact CE1-CD2 3.46Å; Y124-Y132 AromaticContact CE1-CE2 3.71Å; Y124-Y132 HydrophobicContact CE1-CE2 3.71Å; Y124-Y132 HydrophobicContact CE1-CG 4.33Å; Y124-L140 HydrophobicContact CD1-CD2 3.53Å; Y124-L140 HydrophobicContact CE1-CD2 4.12Å; Y124-L140 HydrophobicContact CG-CD2 3.81Å |
| 125 | A | 89.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.5 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E121 R122 L123 R128 I129 Y132 | E121-A125 WeakPolarHBondContact O-CB 3.39Å; E121-A125 PolarHBondContact O-N 3.22Å; R122-A125 PolarHBondContact O-N 3.29Å; L123-A125 PolarHBondContact O-N 2.93Å; A125-R128 CarbonylContact O-C 3.53Å; A125-I129 WeakPolarHBondContact O-CA 3.09Å; A125-I129 WeakPolarHBondContact O-CB 3.3Å; A125-I129 PolarHBondContact O-N 2.85Å; A125-Y132 HydrophobicContact CB-CD1 3.46Å; A125-Y132 VanDerWaalsContact CB-CD1 3.46Å; A125-Y132 HydrophobicContact CB-CE1 3.51Å; A125-Y132 HydrophobicContact CB-CG 4.41Å |
| 126 | T | 86.7 | Confident | 85.3 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.8 | -40.6 | 179.1 | -57 | 0 | 0 | 0 | 0 | 112.3 | R122 L123 Y124 L204 Y207 N208 | R122-T126 WeakPolarHBondContact O-CB 3.38Å; R122-T126 PolarHBondContact O-N 3.4Å; R122-T126 PolarHBondContact O-OG1 2.95Å; L123-T126 PolarHBondContact O-N 3.36Å; Y124-T126 VanDerWaalsContact C-N 3.26Å; Y124-T126 PolarHBondContact O-N 3.14Å; T126-L204 HydrophobicContact CG2-CD1 3.66Å; T126-Y207 HydrophobicContact CG2-CD1 3.93Å; T126-Y207 HydrophobicContact CG2-CE1 3.87Å; T126-N208 VanDerWaalsContact CG2-OD1 3.25Å; T126-N208 WeakPolarHBondContact CG2-OD1 3.43Å; T126-N208 PolarHBondContact OG1-ND2 2.89Å |
| 127 | I | 87.2 | Confident | 84.9 | Confident | 122 Ų | 122 | 58.5 Ų | 58.5 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69 | -37.1 | 178 | -66.3 | 166.5 | 0 | 0 | 0 | 111.3 | L123 Y124 | L123-I127 HydrophobicContact CD1-CD1 4.15Å; L123-I127 HydrophobicContact CG-CD1 3.99Å; L123-I127 WeakPolarHBondContact O-CG1 3.38Å; L123-I127 PolarHBondContact O-N 3.47Å; Y124-I127 PolarHBondContact O-N 3.41Å |
| 128 | R | 86.3 | Confident | 84.7 | Confident | 125 Ų | 125 | 59.6 Ų | 59.6 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 23.9 | -174.9 | -64.9 | -67.1 | -166.9 | 171 | 1.9 | 113.7 | Y124 A125 G130 R131 Y132 | Y124-R128 HydrophobicContact CE1-CB 4.28Å; Y124-R128 HydrophobicContact CE1-CG 4.09Å; Y124-R128 HydrophobicContact CE2-CG 4.21Å; Y124-R128 WeakPolarHBondContact O-CB 3.23Å; Y124-R128 PolarHBondContact O-N 3.11Å; A125-R128 CarbonylContact O-C 3.53Å; R128-G130 PolarHBondContact O-N 3.32Å; R128-R131 PolarHBondContact O-N 2.85Å; R128-R131 VanDerWaalsContact O-N 3.09Å; R128-Y132 WeakPolarHBondContact O-CB 3.27Å; R128-Y132 PolarHBondContact O-N 3.32Å |
| 129 | I | 78 | Confident | 84.6 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 132.5 | 178.6 | -157.1 | 162.4 | 0 | 0 | 0 | 110.2 | A125 Y228 | A125-I129 WeakPolarHBondContact O-CA 3.09Å; A125-I129 WeakPolarHBondContact O-CB 3.3Å; A125-I129 PolarHBondContact O-N 2.85Å; I129-Y228 HydrophobicContact CG1-CE2 4.47Å; I129-Y228 HydrophobicContact CG2-CE2 3.89Å; I129-Y228 VanDerWaalsContact CG2-OH 3.31Å; I129-Y228 WeakPolarHBondContact CG2-OH 3.47Å |
| 130 | G | 69.3 | Low | 84.6 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | -20.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115 | R128 E231 | R128-G130 PolarHBondContact O-N 3.32Å; G130-E231 WeakPolarHBondContact CA-OE2 3.37Å; G130-E231 PolarHBondContact N-OE2 3.04Å |
| 131 | R | 78.7 | Confident | 84.6 | Confident | 185 Ų | 185 | 61.7 Ų | 61.7 | 70% | 0.698 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | -36.2 | 175.7 | -66.6 | -174.9 | -174.5 | 175.1 | 2.4 | 112.5 | R128 K135 | R128-R131 PolarHBondContact O-N 2.85Å; R128-R131 VanDerWaalsContact O-N 3.09Å; R131-K135 PolarHBondContact O-N 3.31Å |
| 132 | Y | 81.9 | Confident | 84.7 | Confident | 17 Ų | 17 | 66.7 Ų | 66.7 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -52 | -174.2 | -176.4 | -110.9 | 0 | 0 | 0 | 112.3 | H48 N50 E121 Y124 A125 R128 A134 K135 L140 | H48-Y132 AromaticContact CE1-CE1 3.42Å; H48-Y132 VanDerWaalsContact CE1-CE1 3.42Å; H48-Y132 WeakPolarHBondContact CE1-CE1 3.43Å; H48-Y132 AromaticContact CE1-CE2 3.99Å; H48-Y132 AromaticContact CE1-CZ 3.33Å; H48-Y132 PolarHBondContact CE1-OH 3.49Å; H48-Y132 AromaticContact ND1-CE1 3.85Å; H48-Y132 AromaticContact ND1-CZ 3.93Å; H48-Y132 AromaticContact NE2-CE1 3.75Å; H48-Y132 AromaticContact NE2-CZ 3.99Å; N50-Y132 WeakPolarHBondContact CB-OH 3.32Å; N50-Y132 PolarHBondContact ND2-OH 3.45Å; E121-Y132 VanDerWaalsContact CD-OH 3.31Å; E121-Y132 WeakPolarHBondContact CG-OH 3.45Å; E121-Y132 WeakPolarHBondContact OE1-CE1 3.49Å; E121-Y132 VanDerWaalsContact OE1-CZ 3.32Å; E121-Y132 PolarHBondContact OE1-OH 3.33Å; Y124-Y132 AromaticContact CD1-CD2 3.64Å; Y124-Y132 HydrophobicContact CD1-CD2 3.64Å; Y124-Y132 AromaticContact CD1-CE2 3.63Å; Y124-Y132 HydrophobicContact CD1-CE2 3.63Å; Y124-Y132 HydrophobicContact CD1-CG 4.28Å; Y124-Y132 AromaticContact CE1-CD2 3.46Å; Y124-Y132 HydrophobicContact CE1-CD2 3.46Å; Y124-Y132 VanDerWaalsContact CE1-CD2 3.46Å; Y124-Y132 AromaticContact CE1-CE2 3.71Å; Y124-Y132 HydrophobicContact CE1-CE2 3.71Å; Y124-Y132 HydrophobicContact CE1-CG 4.33Å; A125-Y132 HydrophobicContact CB-CD1 3.46Å; A125-Y132 VanDerWaalsContact CB-CD1 3.46Å; A125-Y132 HydrophobicContact CB-CE1 3.51Å; A125-Y132 HydrophobicContact CB-CG 4.41Å; R128-Y132 WeakPolarHBondContact O-CB 3.27Å; R128-Y132 PolarHBondContact O-N 3.32Å; Y132-A134 VanDerWaalsContact C-N 3.33Å; Y132-A134 PolarHBondContact O-N 2.97Å; Y132-K135 CarbonylContact O-C 3.56Å; Y132-K135 PolarHBondContact O-N 2.93Å; Y132-L140 HydrophobicContact CE2-CD2 3.87Å |
| 133 | E | 74.2 | Confident | 84.8 | Confident | 14 Ų | 14 | 73.9 Ų | 73.9 | 7% | 0.065 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -29.4 | -179.9 | -68 | -69.1 | 163 | 0 | 0 | 112.2 | H48 R122 E231 K234 | H48-E133 IonicContact CD2-OE1 3.98Å; H48-E133 IonicContact CD2-OE2 3.27Å; H48-E133 PolarHBondContact CD2-OE2 3.19Å; H48-E133 VanDerWaalsContact CD2-OE2 3.27Å; H48-E133 IonicContact CG-OE2 3.99Å; R122-E133 IonicContact NH1-OE1 2.77Å; E133-E231 HydrophobicContact CB-CB 4.06Å; E133-E231 HydrophobicContact CB-CG 3.7Å; E133-E231 HydrophobicContact CG-CB 4.42Å; E133-K234 IonicContact OE2-NZ 3.54Å |
| 134 | A | 70.3 | Confident | 85 | Confident | 57 Ų | 57 | 71.2 Ų | 71.2 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -28.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y132 | Y132-A134 VanDerWaalsContact C-N 3.33Å; Y132-A134 PolarHBondContact O-N 2.97Å |
| 135 | K | 78.5 | Confident | 85.2 | Confident | 160 Ų | 160 | 67.6 Ų | 67.6 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -131.5 | 76.4 | -178.1 | -67.6 | -170.8 | -179.2 | -174.4 | 0 | 110.1 | R131 Y132 K137 | R131-K135 PolarHBondContact O-N 3.31Å; Y132-K135 CarbonylContact O-C 3.56Å; Y132-K135 PolarHBondContact O-N 2.93Å; K135-K137 PolarHBondContact O-N 2.9Å |
| 136 | P | 74.5 | Confident | 85.6 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | trans | -63.6 | 113.3 | -176.8 | 25.7 | -33.6 | 0 | 0 | 0 | 110.4 | I49 | I49-P136 HydrophobicContact CG2-CB 3.9Š| ||
| 137 | K | 85.7 | Confident | 86.1 | Confident | 146 Ų | 146 | 75.3 Ų | 75.3 | 64% | 0.635 | 38% | 0.384 | S | S | * | . | trans | -116.1 | 130 | 172 | -68.7 | -172.4 | 178.1 | -172.7 | 0 | 109.8 | N50 K135 S139 | N50-K137 PolarHBondContact ND2-O 3.47Å; N50-K137 PolarHBondContact OD1-O 3.33Å; N50-K137 VanDerWaalsContact OD1-O 3.09Å; K135-K137 PolarHBondContact O-N 2.9Å; K137-S139 PolarHBondContact O-N 3.07Å | ||
| 138 | A | 88.9 | Confident | 86.5 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -12 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I49 N50 L140 S141 I142 | I49-A138 HydrophobicContact CD1-CB 3.99Å; I49-A138 HydrophobicContact CG1-CB 4.14Å; N50-A138 VanDerWaalsContact OD1-CA 3.26Å; N50-A138 WeakPolarHBondContact OD1-CA 3.21Å; N50-A138 PolarHBondContact OD1-O 2.97Å; A138-L140 PolarHBondContact O-N 3.26Å; A138-L140 VanDerWaalsContact O-N 3.17Å; A138-S141 PolarHBondContact O-N 2.93Å; A138-S141 PolarHBondContact O-OG 3.42Å; A138-I142 HydrophobicContact CB-CD1 4.02Å; A138-I142 WeakPolarHBondContact O-CG1 3.24Å; A138-I142 PolarHBondContact O-N 2.91Å |
| 139 | S | 91.4 | Very high | 87 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.6 | -35.8 | -172.7 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | K137 F143 | K137-S139 PolarHBondContact O-N 3.07Å; S139-F143 VanDerWaalsContact O-CB 3.32Å; S139-F143 WeakPolarHBondContact O-CB 3.32Å; S139-F143 PolarHBondContact O-N 2.82Å |
| 140 | L | 92.6 | Very high | 87.8 | Confident | 35 Ų | 35 | 69.9 Ų | 69.9 | 18% | 0.183 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.4 | -48.5 | 179.4 | -179.7 | 63.5 | 0 | 0 | 0 | 111.5 | E121 Y124 Y132 A138 I142 F143 L144 | E121-L140 HydrophobicContact CG-CD2 4.06Å; Y124-L140 HydrophobicContact CD1-CD2 3.53Å; Y124-L140 HydrophobicContact CE1-CD2 4.12Å; Y124-L140 HydrophobicContact CG-CD2 3.81Å; Y132-L140 HydrophobicContact CE2-CD2 3.87Å; A138-L140 PolarHBondContact O-N 3.26Å; A138-L140 VanDerWaalsContact O-N 3.17Å; L140-I142 VanDerWaalsContact C-N 3.34Å; L140-I142 PolarHBondContact O-N 3.36Å; L140-F143 PolarHBondContact O-N 3.33Å; L140-L144 HydrophobicContact CD1-CD1 4.16Å; L140-L144 HydrophobicContact CD1-CG 4.26Å; L140-L144 HydrophobicContact CG-CD1 3.98Å; L140-L144 HydrophobicContact CG-CG 4.47Å; L140-L144 WeakPolarHBondContact O-CB 3.24Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.3Å; L140-L144 PolarHBondContact O-N 3.4Å |
| 141 | S | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 178.1 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | N50 N53 A138 L144 L145 | N50-S141 WeakPolarHBondContact O-CB 3.47Å; N50-S141 WeakPolarHBondContact OD1-CB 3.41Å; N50-S141 PolarHBondContact OD1-N 3.47Å; N50-S141 PolarHBondContact OD1-OG 2.88Å; N53-S141 WeakPolarHBondContact CB-OG 3.39Å; N53-S141 PolarHBondContact ND2-OG 3.39Å; A138-S141 PolarHBondContact O-N 2.93Å; A138-S141 PolarHBondContact O-OG 3.42Å; S141-L144 PolarHBondContact O-N 3.29Å; S141-L145 VanDerWaalsContact O-CB 3.29Å; S141-L145 WeakPolarHBondContact O-CB 3.49Å; S141-L145 VanDerWaalsContact O-CG 3.23Å; S141-L145 WeakPolarHBondContact O-CG 3.4Å; S141-L145 PolarHBondContact O-N 3.34Å |
| 142 | I | 94.4 | Very high | 89.7 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 53% | 0.533 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 176.3 | -65 | 166.6 | 0 | 0 | 0 | 110.2 | A138 L140 L145 F146 | A138-I142 HydrophobicContact CB-CD1 4.02Å; A138-I142 WeakPolarHBondContact O-CG1 3.24Å; A138-I142 PolarHBondContact O-N 2.91Å; L140-I142 VanDerWaalsContact C-N 3.34Å; L140-I142 PolarHBondContact O-N 3.36Å; I142-L145 PolarHBondContact O-N 3Å; I142-F146 WeakPolarHBondContact O-CB 3.29Å; I142-F146 PolarHBondContact O-N 3.46Å |
| 143 | F | 96.1 | Very high | 90.2 | Very high | 151 Ų | 151 | 68 Ų | 68 | 66% | 0.662 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 176.9 | 179.1 | -97.4 | 0 | 0 | 0 | 112.2 | S139 L140 F146 G147 | S139-F143 VanDerWaalsContact O-CB 3.32Å; S139-F143 WeakPolarHBondContact O-CB 3.32Å; S139-F143 PolarHBondContact O-N 2.82Å; L140-F143 PolarHBondContact O-N 3.33Å; F143-F146 PolarHBondContact O-N 2.82Å; F143-G147 PolarHBondContact O-N 2.94Å |
| 144 | L | 96 | Very high | 91 | Very high | 31 Ų | 31 | 72.4 Ų | 72.4 | 16% | 0.162 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 177.2 | -71.3 | 171.8 | 0 | 0 | 0 | 111.7 | A117 A120 E121 L140 S141 G147 V148 | A117-L144 HydrophobicContact CB-CB 3.96Å; A117-L144 HydrophobicContact CB-CD1 4.33Å; A120-L144 HydrophobicContact CB-CD2 4.14Å; E121-L144 HydrophobicContact CB-CD1 3.89Å; E121-L144 HydrophobicContact CG-CD1 4.48Å; L140-L144 HydrophobicContact CD1-CD1 4.16Å; L140-L144 HydrophobicContact CD1-CG 4.26Å; L140-L144 HydrophobicContact CG-CD1 3.98Å; L140-L144 HydrophobicContact CG-CG 4.47Å; L140-L144 WeakPolarHBondContact O-CB 3.24Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.3Å; L140-L144 PolarHBondContact O-N 3.4Å; S141-L144 PolarHBondContact O-N 3.29Å; L144-G147 PolarHBondContact O-N 3.32Å; L144-V148 VanDerWaalsContact O-CG2 3.32Å; L144-V148 WeakPolarHBondContact O-CG2 3.46Å; L144-V148 PolarHBondContact O-N 2.92Å |
| 145 | L | 96.5 | Very high | 91.9 | Very high | 27 Ų | 27 | 72.4 Ų | 72.4 | 14% | 0.141 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 177.4 | -74.4 | 173.6 | 0 | 0 | 0 | 112 | N53 L54 N57 S141 I142 G147 V148 W149 | N53-L145 HydrophobicContact CB-CD1 4.44Å; L54-L145 HydrophobicContact CD2-CD2 3.85Å; L54-L145 HydrophobicContact CD2-CG 3.96Å; N57-L145 HydrophobicContact CB-CD1 4.33Å; N57-L145 HydrophobicContact CB-CD2 3.5Å; N57-L145 VanDerWaalsContact CB-CD2 3.5Å; N57-L145 VanDerWaalsContact CG-CD2 3.45Å; S141-L145 VanDerWaalsContact O-CB 3.29Å; S141-L145 WeakPolarHBondContact O-CB 3.49Å; S141-L145 VanDerWaalsContact O-CG 3.23Å; S141-L145 WeakPolarHBondContact O-CG 3.4Å; S141-L145 PolarHBondContact O-N 3.34Å; I142-L145 PolarHBondContact O-N 3Å; L145-G147 VanDerWaalsContact C-N 3.34Å; L145-V148 PolarHBondContact O-N 3.41Å; L145-W149 WeakPolarHBondContact O-CB 3.3Å; L145-W149 PolarHBondContact O-N 3.46Å |
| 146 | F | 96.8 | Very high | 92.3 | Very high | 142 Ų | 142 | 65 Ų | 65 | 62% | 0.623 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.6 | -45.9 | 173.4 | -178.4 | -95.3 | 0 | 0 | 0 | 111.2 | I142 F143 T150 | I142-F146 WeakPolarHBondContact O-CB 3.29Å; I142-F146 PolarHBondContact O-N 3.46Å; F143-F146 PolarHBondContact O-N 2.82Å; F146-T150 VanDerWaalsContact O-CB 3.31Å; F146-T150 WeakPolarHBondContact O-CB 3.29Å; F146-T150 PolarHBondContact O-N 3.5Å; F146-T150 PolarHBondContact O-OG1 3.42Å |
| 147 | G | 96.2 | Very high | 92.9 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F143 L144 L145 T150 V151 | F143-G147 PolarHBondContact O-N 2.94Å; L144-G147 PolarHBondContact O-N 3.32Å; L145-G147 VanDerWaalsContact C-N 3.34Å; G147-T150 PolarHBondContact O-N 3.27Å; G147-V151 WeakPolarHBondContact O-CG2 3.41Å; G147-V151 PolarHBondContact O-N 2.93Å; G147-V151 VanDerWaalsContact O-N 3.08Å |
| 148 | V | 96 | Very high | 92.8 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.097 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.4 | -55.6 | 177.2 | 168 | 0 | 0 | 0 | 0 | 110.7 | G113 A117 L144 L145 T150 V151 T152 | G113-V148 VanDerWaalsContact O-CG2 3.27Å; G113-V148 WeakPolarHBondContact O-CG2 3.36Å; A117-V148 HydrophobicContact CB-CG2 4.08Å; L144-V148 VanDerWaalsContact O-CG2 3.32Å; L144-V148 WeakPolarHBondContact O-CG2 3.46Å; L144-V148 PolarHBondContact O-N 2.92Å; L145-V148 PolarHBondContact O-N 3.41Å; V148-T150 VanDerWaalsContact C-N 3.33Å; V148-T150 PolarHBondContact O-N 2.89Å; V148-V151 PolarHBondContact O-N 3.21Å; V148-T152 HydrophobicContact CG1-CG2 4.11Å; V148-T152 WeakPolarHBondContact O-CG2 3.43Å; V148-T152 PolarHBondContact O-N 2.97Å; V148-T152 PolarHBondContact O-OG1 3.03Å |
| 149 | W | 96.9 | Very high | 92.4 | Very high | 80 Ų | 80 | 58.5 Ų | 58.5 | 30% | 0.303 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | -177.8 | -82.5 | 105.2 | 0 | 0 | 0 | 113.1 | N57 A106 T107 S110 L145 T152 I153 | N57-W149 PolarHBondContact OD1-NE1 3.19Å; A106-W149 HydrophobicContact CB-CZ3 4.5Å; T107-W149 HydrophobicContact CG2-CH2 4.34Å; S110-W149 WeakPolarHBondContact OG-CZ2 3.45Å; L145-W149 WeakPolarHBondContact O-CB 3.3Å; L145-W149 PolarHBondContact O-N 3.46Å; W149-T152 WeakPolarHBondContact CA-OG1 3.31Å; W149-T152 PolarHBondContact O-N 3.22Å; W149-T152 PolarHBondContact O-OG1 2.59Å; W149-T152 VanDerWaalsContact O-OG1 3.13Å; W149-I153 HydrophobicContact CE3-CD1 4.32Å; W149-I153 HydrophobicContact CE3-CG1 4.32Å; W149-I153 VanDerWaalsContact O-CB 3.3Å; W149-I153 WeakPolarHBondContact O-CB 3.48Å; W149-I153 WeakPolarHBondContact O-CD1 3.48Å; W149-I153 WeakPolarHBondContact O-CG1 3.49Å; W149-I153 PolarHBondContact O-N 2.93Å |
| 150 | T | 95.6 | Very high | 91.9 | Very high | 57 Ų | 57 | 56.5 Ų | 56.5 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | F146 G147 V148 I154 | F146-T150 VanDerWaalsContact O-CB 3.31Å; F146-T150 WeakPolarHBondContact O-CB 3.29Å; F146-T150 PolarHBondContact O-N 3.5Å; F146-T150 PolarHBondContact O-OG1 3.42Å; G147-T150 PolarHBondContact O-N 3.27Å; V148-T150 VanDerWaalsContact C-N 3.33Å; V148-T150 PolarHBondContact O-N 2.89Å; T150-I154 HydrophobicContact CG2-CD1 3.97Å; T150-I154 WeakPolarHBondContact O-CD1 3.11Å; T150-I154 VanDerWaalsContact O-CG1 3.23Å; T150-I154 WeakPolarHBondContact O-CG1 3.43Å; T150-I154 PolarHBondContact O-N 3.46Å; T150-I154 VanDerWaalsContact O-N 3.13Å |
| 151 | V | 94 | Very high | 91.2 | Very high | 91 Ų | 91 | 59 Ų | 59 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 179.4 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | G147 V148 I153 I154 C155 | G147-V151 WeakPolarHBondContact O-CG2 3.41Å; G147-V151 PolarHBondContact O-N 2.93Å; G147-V151 VanDerWaalsContact O-N 3.08Å; V148-V151 PolarHBondContact O-N 3.21Å; V151-I153 PolarHBondContact O-N 2.98Å; V151-I154 PolarHBondContact O-N 3.36Å; V151-C155 WeakPolarHBondContact O-CB 3.3Å; V151-C155 PolarHBondContact O-N 3.42Å; V151-C155 PolarHBondContact O-SG 3.29Å |
| 152 | T | 93.2 | Very high | 90.1 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.043 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.7 | -37.8 | -176.4 | 62.8 | 0 | 0 | 0 | 0 | 112.1 | F109 V148 W149 C155 A156 | F109-T152 VanDerWaalsContact C-CG2 3.49Å; F109-T152 HydrophobicContact CB-CG2 3.74Å; V148-T152 HydrophobicContact CG1-CG2 4.11Å; V148-T152 WeakPolarHBondContact O-CG2 3.43Å; V148-T152 PolarHBondContact O-N 2.97Å; V148-T152 PolarHBondContact O-OG1 3.03Å; W149-T152 WeakPolarHBondContact CA-OG1 3.31Å; W149-T152 PolarHBondContact O-N 3.22Å; W149-T152 PolarHBondContact O-OG1 2.59Å; W149-T152 VanDerWaalsContact O-OG1 3.13Å; T152-C155 PolarHBondContact O-N 3.1Å; T152-A156 VanDerWaalsContact O-CB 3.23Å; T152-A156 WeakPolarHBondContact O-CB 3.43Å; T152-A156 PolarHBondContact O-N 3.28Å |
| 153 | I | 92.5 | Very high | 88.7 | Confident | 95 Ų | 95 | 57.9 Ų | 57.9 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 174.7 | -69.8 | 167.3 | 0 | 0 | 0 | 110.7 | W149 V151 C155 A156 S157 | W149-I153 HydrophobicContact CE3-CD1 4.32Å; W149-I153 HydrophobicContact CE3-CG1 4.32Å; W149-I153 VanDerWaalsContact O-CB 3.3Å; W149-I153 WeakPolarHBondContact O-CB 3.48Å; W149-I153 WeakPolarHBondContact O-CD1 3.48Å; W149-I153 WeakPolarHBondContact O-CG1 3.49Å; W149-I153 PolarHBondContact O-N 2.93Å; V151-I153 PolarHBondContact O-N 2.98Å; I153-C155 PolarHBondContact O-N 3.02Å; I153-A156 PolarHBondContact O-N 3.38Å; I153-S157 WeakPolarHBondContact O-CB 3.47Å; I153-S157 PolarHBondContact O-N 3.42Å; I153-S157 PolarHBondContact O-OG 2.91Å |
| 154 | I | 91.3 | Very high | 87 | Confident | 107 Ų | 107 | 58.2 Ų | 58.2 | 55% | 0.549 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.1 | -49.1 | 176.2 | -68.3 | 166.3 | 0 | 0 | 0 | 109.9 | T150 V151 A156 S157 G158 | T150-I154 HydrophobicContact CG2-CD1 3.97Å; T150-I154 WeakPolarHBondContact O-CD1 3.11Å; T150-I154 VanDerWaalsContact O-CG1 3.23Å; T150-I154 WeakPolarHBondContact O-CG1 3.43Å; T150-I154 PolarHBondContact O-N 3.46Å; T150-I154 VanDerWaalsContact O-N 3.13Å; V151-I154 PolarHBondContact O-N 3.36Å; I154-A156 PolarHBondContact O-N 2.75Å; I154-S157 PolarHBondContact O-N 2.96Å; I154-S157 PolarHBondContact O-OG 2.9Å; I154-G158 PolarHBondContact O-N 3.21Å |
| 155 | C | 88.5 | Confident | 85.1 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 177.6 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | F109 V151 T152 I153 S157 G158 I159 | F109-C155 HydrophobicContact CD2-CB 3.99Å; F109-C155 HydrophobicContact CE2-CB 4.04Å; V151-C155 WeakPolarHBondContact O-CB 3.3Å; V151-C155 PolarHBondContact O-N 3.42Å; V151-C155 PolarHBondContact O-SG 3.29Å; T152-C155 PolarHBondContact O-N 3.1Å; I153-C155 PolarHBondContact O-N 3.02Å; C155-S157 VanDerWaalsContact C-N 3.35Å; C155-S157 PolarHBondContact O-N 3.4Å; C155-G158 PolarHBondContact O-N 2.84Å; C155-I159 WeakPolarHBondContact O-CG1 2.99Å; C155-I159 PolarHBondContact O-N 3.42Å |
| 156 | A | 86.9 | Confident | 82.8 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I105 A106 T152 I153 I154 G158 I159 V160 | I105-A156 HydrophobicContact CG2-CB 4.17Å; A106-A156 HydrophobicContact CB-CB 3.89Å; T152-A156 VanDerWaalsContact O-CB 3.23Å; T152-A156 WeakPolarHBondContact O-CB 3.43Å; T152-A156 PolarHBondContact O-N 3.28Å; I153-A156 PolarHBondContact O-N 3.38Å; I154-A156 PolarHBondContact O-N 2.75Å; A156-G158 PolarHBondContact O-N 3.31Å; A156-I159 PolarHBondContact O-N 3.22Å; A156-V160 WeakPolarHBondContact O-CB 3.45Å; A156-V160 VanDerWaalsContact O-CG2 3.27Å; A156-V160 WeakPolarHBondContact O-CG2 3.47Å; A156-V160 PolarHBondContact O-N 3.49Å |
| 157 | S | 86.8 | Confident | 80.8 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 47% | 0.469 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 175.4 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | I153 I154 C155 I159 V160 A161 | I153-S157 WeakPolarHBondContact O-CB 3.47Å; I153-S157 PolarHBondContact O-N 3.42Å; I153-S157 PolarHBondContact O-OG 2.91Å; I154-S157 PolarHBondContact O-N 2.96Å; I154-S157 PolarHBondContact O-OG 2.9Å; C155-S157 VanDerWaalsContact C-N 3.35Å; C155-S157 PolarHBondContact O-N 3.4Å; S157-I159 VanDerWaalsContact C-N 3.34Å; S157-I159 PolarHBondContact O-N 2.92Å; S157-V160 PolarHBondContact O-N 3.12Å; S157-A161 VanDerWaalsContact O-CB 3.31Å; S157-A161 WeakPolarHBondContact O-CB 3.49Å; S157-A161 PolarHBondContact O-N 2.94Å |
| 158 | G | 83.6 | Confident | 78.5 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I154 C155 A156 T162 | I154-G158 PolarHBondContact O-N 3.21Å; C155-G158 PolarHBondContact O-N 2.84Å; A156-G158 PolarHBondContact O-N 3.31Å; G158-T162 WeakPolarHBondContact O-CG2 3.31Å; G158-T162 PolarHBondContact O-N 3.32Å; G158-T162 PolarHBondContact O-OG1 2.99Å; G158-T162 VanDerWaalsContact O-OG1 3.04Å |
| 159 | I | 80.4 | Confident | 76.5 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -53.2 | 173.7 | -68.7 | 161.2 | 0 | 0 | 0 | 109.9 | I105 F109 C155 A156 S157 A161 T162 V163 I178 I186 | I105-I159 HydrophobicContact CD1-CB 4.39Å; I105-I159 HydrophobicContact CD1-CD1 4.28Å; I105-I159 HydrophobicContact CD1-CG2 3.6Å; I105-I159 HydrophobicContact CG2-CD1 3.69Å; F109-I159 HydrophobicContact CE2-CD1 3.54Å; F109-I159 HydrophobicContact CZ-CD1 3.87Å; C155-I159 WeakPolarHBondContact O-CG1 2.99Å; C155-I159 PolarHBondContact O-N 3.42Å; A156-I159 PolarHBondContact O-N 3.22Å; S157-I159 VanDerWaalsContact C-N 3.34Å; S157-I159 PolarHBondContact O-N 2.92Å; I159-A161 PolarHBondContact O-N 3.44Å; I159-T162 CarbonylContact O-C 3.57Å; I159-T162 PolarHBondContact O-N 3.47Å; I159-T162 PolarHBondContact O-OG1 3.34Å; I159-V163 HydrophobicContact CG2-CG2 4.39Å; I159-V163 WeakPolarHBondContact O-CG2 3.17Å; I159-V163 PolarHBondContact O-N 3.42Å; I159-V163 VanDerWaalsContact O-N 3.12Å; I159-I178 HydrophobicContact CG2-CD1 4.41Å; I159-I178 HydrophobicContact CG2-CG1 3.81Å; I159-I186 HydrophobicContact CD1-CD1 3.51Å; I159-I186 HydrophobicContact CD1-CG1 4.4Å; I159-I186 HydrophobicContact CG1-CD1 3.98Å |
| 160 | V | 81 | Confident | 74.5 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 22% | 0.218 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.5 | -37.9 | -179.1 | 172.4 | 0 | 0 | 0 | 0 | 112 | S98 G102 A156 S157 T162 V163 | S98-V160 WeakPolarHBondContact O-CG2 3.34Å; G102-V160 VanDerWaalsContact CA-CG2 3.48Å; A156-V160 WeakPolarHBondContact O-CB 3.45Å; A156-V160 VanDerWaalsContact O-CG2 3.27Å; A156-V160 WeakPolarHBondContact O-CG2 3.47Å; A156-V160 PolarHBondContact O-N 3.49Å; S157-V160 PolarHBondContact O-N 3.12Å; V160-T162 PolarHBondContact O-N 3.28Å; V160-V163 PolarHBondContact O-N 3.43Å |
| 161 | A | 78 | Confident | 72.7 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 72% | 0.719 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.1 | -22.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S157 I159 | S157-A161 VanDerWaalsContact O-CB 3.31Å; S157-A161 WeakPolarHBondContact O-CB 3.49Å; S157-A161 PolarHBondContact O-N 2.94Å; I159-A161 PolarHBondContact O-N 3.44Å |
| 162 | T | 70.9 | Confident | 71.3 | Confident | 60 Ų | 60 | 52 Ų | 52 | 37% | 0.368 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -104.5 | 0.8 | -178.8 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | G158 I159 V160 K164 | G158-T162 WeakPolarHBondContact O-CG2 3.31Å; G158-T162 PolarHBondContact O-N 3.32Å; G158-T162 PolarHBondContact O-OG1 2.99Å; G158-T162 VanDerWaalsContact O-OG1 3.04Å; I159-T162 CarbonylContact O-C 3.57Å; I159-T162 PolarHBondContact O-N 3.47Å; I159-T162 PolarHBondContact O-OG1 3.34Å; V160-T162 PolarHBondContact O-N 3.28Å; T162-K164 PolarHBondContact O-N 3.18Å |
| 163 | V | 65.4 | Low | 70 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | trans | -65.1 | 117 | 179.9 | 164.2 | 0 | 0 | 0 | 0 | 111 | I159 V160 Q165 N177 | I159-V163 HydrophobicContact CG2-CG2 4.39Å; I159-V163 WeakPolarHBondContact O-CG2 3.17Å; I159-V163 PolarHBondContact O-N 3.42Å; I159-V163 VanDerWaalsContact O-N 3.12Å; V160-V163 PolarHBondContact O-N 3.43Å; V163-Q165 HydrophobicContact CG1-CG 4.36Å; V163-Q165 PolarHBondContact O-N 3.18Å; V163-N177 WeakPolarHBondContact CA-O 3.49Å; V163-N177 HydrophobicContact CB-CB 4.39Å; V163-N177 HydrophobicContact CG1-CB 3.64Å; V163-N177 HydrophobicContact CG2-CB 4.04Å | ||
| 164 | K | 60.8 | Low | 68.7 | Low | 158 Ų | 158 | 47.4 Ų | 47.4 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | trans | -78.2 | 113.7 | 167.9 | -69.3 | -173.8 | 178.8 | -177.6 | 0 | 109 | T162 S166 | T162-K164 PolarHBondContact O-N 3.18Å; K164-S166 PolarHBondContact O-N 3.28Å | ||
| 165 | Q | 56.6 | Low | 67.3 | Low | 91 Ų | 91 | 43.5 Ų | 43.5 | 43% | 0.425 | 26% | 0.263 | S | S | . | . | trans | -76.1 | 24.6 | -178.1 | -66.3 | 179.6 | -17.6 | 0 | 0 | 114.3 | P94 V163 | P94-Q165 VanDerWaalsContact CB-NE2 3.31Å; P94-Q165 VanDerWaalsContact CB-OE1 3.29Å; V163-Q165 HydrophobicContact CG1-CG 4.36Å; V163-Q165 PolarHBondContact O-N 3.18Å | ||
| 166 | S | 47.3 | Very low | 65.8 | Low | 93 Ų | 93 | 42 Ų | 42 | 65% | 0.65 | 25% | 0.25 | S | S | * | . | trans | -95.7 | 6.2 | -156.5 | 65.5 | 0 | 0 | 0 | 0 | 116.4 | K164 | K164-S166 PolarHBondContact O-N 3.28Š| ||
| 167 | K | 54.6 | Low | 64.5 | Low | 77 Ų | 77 | 42.2 Ų | 42.2 | 34% | 0.335 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -118.5 | 125 | 179.2 | -66.7 | -169.9 | 179.1 | -175.5 | 0 | 111.2 | S90 L169 L176 | S90-K167 PolarHBondContact OG-O 3.01Å; K167-L169 HydrophobicContact CB-CD1 3.82Å; K167-L169 HydrophobicContact CB-CG 4.28Å; K167-L169 HydrophobicContact CD-CD1 4.46Å; K167-L169 PolarHBondContact O-N 3.21Å; K167-L176 HydrophobicContact CD-CD2 4.29Å |
| 168 | P | 48 | Very low | 63.5 | Low | 38 Ų | 38 | 40.2 Ų | 40.2 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | trans | -75.5 | 70.7 | 179 | 35 | -37.5 | 0 | 0 | 0 | 110.1 | E6 T89 | E6-P168 WeakPolarHBondContact OE2-CG 3.32Å; T89-P168 HydrophobicContact CG2-CB 4.38Å | ||
| 169 | L | 54.8 | Low | 62.8 | Low | 18 Ų | 18 | 41.1 Ų | 41.1 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | trans | -94.7 | 143.2 | 174.2 | -73.2 | 154 | 0 | 0 | 0 | 109.1 | L10 S90 K167 L171 N173 | L10-L169 HydrophobicContact CD1-CD2 4.38Å; S90-L169 PolarHBondContact N-O 2.91Å; K167-L169 HydrophobicContact CB-CD1 3.82Å; K167-L169 HydrophobicContact CB-CG 4.28Å; K167-L169 HydrophobicContact CD-CD1 4.46Å; K167-L169 PolarHBondContact O-N 3.21Å; L169-L171 PolarHBondContact O-N 3.47Å; L169-L171 VanDerWaalsContact O-N 3.08Å; L169-N173 HydrophobicContact CB-CB 4.43Å; L169-N173 HydrophobicContact CD1-CB 3.64Å | ||
| 170 | P | 54.7 | Low | 62.3 | Low | 11 Ų | 11 | 43.6 Ų | 43.6 | 7% | 0.071 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -64.8 | 112.8 | 175.7 | 8.7 | -4.8 | 0 | 0 | 0 | 108.9 | T7 L10 L88 | T7-P170 HydrophobicContact CG2-CB 4.45Å; T7-P170 HydrophobicContact CG2-CG 4.4Å; L10-P170 HydrophobicContact CD1-CG 3.82Å; L10-P170 HydrophobicContact CD2-CG 3.41Å; L10-P170 VanDerWaalsContact CD2-CG 3.41Å; L10-P170 HydrophobicContact CG-CG 4.2Å; L88-P170 HydrophobicContact CB-CB 4.47Å; L88-P170 WeakPolarHBondContact O-CA 3.23Å |
| 171 | L | 57.7 | Low | 62 | Low | 18 Ų | 18 | 46.6 Ų | 46.6 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 43.8 | 94.5 | -177.4 | -69.6 | 161.2 | 0 | 0 | 0 | 112.9 | K72 L75 I76 L88 L169 | K72-L171 WeakPolarHBondContact CE-O 3.47Å; K72-L171 HydrophobicContact CG-CB 4.37Å; K72-L171 HydrophobicContact CG-CD1 4.49Å; K72-L171 PolarHBondContact NZ-O 3.39Å; L75-L171 HydrophobicContact CB-CD1 3.87Å; I76-L171 HydrophobicContact CG1-CD1 3.83Å; L88-L171 HydrophobicContact CD2-CD1 3.55Å; L88-L171 HydrophobicContact CD2-CG 3.96Å; L88-L171 PolarHBondContact O-N 3.05Å; L169-L171 PolarHBondContact O-N 3.47Å; L169-L171 VanDerWaalsContact O-N 3.08Å |
| 172 | C | 65.2 | Low | 62 | Low | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | trans | 48.3 | 99.2 | 156.5 | -48 | 0 | 0 | 0 | 0 | 116.8 | K72 C97 E174 | K72-C172 PolarHBondContact NZ-O 2.87Å; C97-C172 WeakPolarHBondContact CA-SG 3.35Å; C97-C172 HydrophobicContact CB-CB 4.29Å; C97-C172 WeakPolarHBondContact CB-SG 3.22Å; C97-C172 WeakPolarHBondContact SG-CA 3.49Å; C97-C172 WeakPolarHBondContact SG-CB 3.25Å; C97-C172 CovalentContact SG-SG 2.01Å; C97-C172 PolarHBondContact SG-SG 3.33Å; C172-E174 VanDerWaalsContact O-CD 3.29Å; C172-E174 PolarHBondContact O-N 3.49Å | ||
| 173 | N | 64.6 | Low | 62.2 | Low | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | trans | -91.2 | 96.4 | 169.8 | -167 | -37 | 0 | 0 | 0 | 109.7 | L169 L175 L176 N177 Q285 | L169-N173 HydrophobicContact CB-CB 4.43Å; L169-N173 HydrophobicContact CD1-CB 3.64Å; N173-L175 PolarHBondContact O-N 3.48Å; N173-L175 PolarHBondContact OD1-N 2.9Å; N173-L176 HydrophobicContact CB-CB 4.12Å; N173-L176 HydrophobicContact CB-CD1 4.5Å; N173-L176 VanDerWaalsContact CG-CD1 3.44Å; N173-L176 WeakPolarHBondContact ND2-CD1 3.23Å; N173-L176 PolarHBondContact O-N 2.85Å; N173-L176 PolarHBondContact OD1-N 3.32Å; N173-N177 VanDerWaalsContact O-CB 3.23Å; N173-N177 WeakPolarHBondContact O-CB 3.48Å; N173-N177 PolarHBondContact O-N 3.48Å; N173-N177 PolarHBondContact O-ND2 2.85Å; N173-Q285 VanDerWaalsContact CG-CD 3.45Å; N173-Q285 VanDerWaalsContact ND2-CD 3.33Å; N173-Q285 PolarHBondContact ND2-OE1 3.5Å | ||
| 174 | E | 65.9 | Low | 62.9 | Low | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -29.9 | -173 | -53.7 | 80.8 | 178.7 | 0 | 0 | 111.6 | Y68 K72 T101 F104 C172 I178 Y289 | Y68-E174 WeakPolarHBondContact CE1-OE1 3.21Å; Y68-E174 VanDerWaalsContact CZ-OE1 3.32Å; Y68-E174 PolarHBondContact OH-OE1 2.85Å; K72-E174 IonicContact NZ-OE1 3.16Å; K72-E174 PolarHBondContact NZ-OE1 3.28Å; K72-E174 IonicContact NZ-OE2 2.81Å; T101-E174 HydrophobicContact CG2-CB 3.98Å; T101-E174 HydrophobicContact CG2-CG 3.85Å; F104-E174 HydrophobicContact CD1-CB 4.49Å; F104-E174 HydrophobicContact CD1-CG 4.12Å; C172-E174 VanDerWaalsContact O-CD 3.29Å; C172-E174 PolarHBondContact O-N 3.49Å; E174-I178 WeakPolarHBondContact O-CD1 3.19Å; E174-I178 VanDerWaalsContact O-CG1 3.24Å; E174-I178 WeakPolarHBondContact O-CG1 3.45Å; E174-Y289 PolarHBondContact OE1-OH 3.43Å; E174-Y289 PolarHBondContact OE2-OH 3.1Å |
| 175 | L | 62.4 | Low | 63.9 | Low | 25 Ų | 25 | 37.6 Ų | 37.6 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -40.9 | 179.7 | -159.8 | 77.4 | 0 | 0 | 0 | 112 | N173 T260 F288 | N173-L175 PolarHBondContact O-N 3.48Å; N173-L175 PolarHBondContact OD1-N 2.9Å; L175-T260 HydrophobicContact CD1-CG2 4.36Å; L175-F288 HydrophobicContact CD1-CD2 4.32Å; L175-F288 HydrophobicContact CD1-CE2 4.4Å |
| 176 | L | 56.1 | Low | 65.2 | Low | 24 Ų | 24 | 34.9 Ų | 34.9 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -18 | -177.8 | -94 | 118.1 | 0 | 0 | 0 | 114.5 | K167 N173 I178 I267 F281 | K167-L176 HydrophobicContact CD-CD2 4.29Å; N173-L176 HydrophobicContact CB-CB 4.12Å; N173-L176 HydrophobicContact CB-CD1 4.5Å; N173-L176 VanDerWaalsContact CG-CD1 3.44Å; N173-L176 WeakPolarHBondContact ND2-CD1 3.23Å; N173-L176 PolarHBondContact O-N 2.85Å; N173-L176 PolarHBondContact OD1-N 3.32Å; L176-I178 VanDerWaalsContact C-N 3.32Å; L176-I267 HydrophobicContact CD1-CD1 4.32Å; L176-I267 HydrophobicContact CD2-CD1 3.5Å; L176-I267 VanDerWaalsContact CD2-CD1 3.5Å; L176-I267 HydrophobicContact CD2-CG2 4.15Å; L176-I267 HydrophobicContact CG-CD1 3.57Å; L176-F281 HydrophobicContact CD1-CB 3.74Å; L176-F281 HydrophobicContact CD1-CD1 4.01Å; L176-F281 HydrophobicContact CD1-CG 3.94Å; L176-F281 HydrophobicContact CD2-CB 4.48Å; L176-F281 HydrophobicContact CD2-CD1 3.85Å; L176-F281 HydrophobicContact CD2-CD2 4.12Å; L176-F281 HydrophobicContact CD2-CE1 4.18Å; L176-F281 HydrophobicContact CD2-CE2 4.39Å; L176-F281 HydrophobicContact CD2-CG 3.87Å; L176-F281 HydrophobicContact CD2-CZ 4.43Å; L176-F281 HydrophobicContact CG-CD1 4.36Å |
| 177 | N | 60.1 | Low | 67 | Low | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.053 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -12.8 | -178.7 | -82.3 | -5.8 | 0 | 0 | 0 | 113 | V163 N173 | V163-N177 WeakPolarHBondContact CA-O 3.49Å; V163-N177 HydrophobicContact CB-CB 4.39Å; V163-N177 HydrophobicContact CG1-CB 3.64Å; V163-N177 HydrophobicContact CG2-CB 4.04Å; N173-N177 VanDerWaalsContact O-CB 3.23Å; N173-N177 WeakPolarHBondContact O-CB 3.48Å; N173-N177 PolarHBondContact O-N 3.48Å; N173-N177 PolarHBondContact O-ND2 2.85Å |
| 178 | I | 65.1 | Low | 68.6 | Low | 25 Ų | 25 | 30.6 Ų | 30.6 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -78.1 | 133.4 | -177.9 | -59.2 | 169.4 | 0 | 0 | 0 | 109.3 | I105 I159 E174 L176 A182 I186 | I105-I178 HydrophobicContact CD1-CD1 4.42Å; I159-I178 HydrophobicContact CG2-CD1 4.41Å; I159-I178 HydrophobicContact CG2-CG1 3.81Å; E174-I178 WeakPolarHBondContact O-CD1 3.19Å; E174-I178 VanDerWaalsContact O-CG1 3.24Å; E174-I178 WeakPolarHBondContact O-CG1 3.45Å; L176-I178 VanDerWaalsContact C-N 3.32Å; I178-A182 HydrophobicContact CG2-CB 3.79Å; I178-I186 HydrophobicContact CD1-CD1 4.47Å; I178-I186 HydrophobicContact CG2-CD1 4.12Å |
| 179 | N | 69.3 | Low | 70.5 | Confident | 56 Ų | 56 | 33.7 Ų | 33.7 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | trans | -55.6 | 132.2 | 172 | -177 | -24.2 | 0 | 0 | 0 | 109.9 | T181 A182 S183 | N179-T181 VanDerWaalsContact CG-OG1 3.31Å; N179-T181 PolarHBondContact O-N 2.88Å; N179-T181 PolarHBondContact OD1-N 2.91Å; N179-T181 VanDerWaalsContact OD1-N 3.17Å; N179-T181 PolarHBondContact OD1-OG1 3.31Å; N179-A182 HydrophobicContact CB-CB 4.15Å; N179-A182 CarbonylContact O-C 3.58Å; N179-A182 WeakPolarHBondContact O-CA 3.45Å; N179-A182 WeakPolarHBondContact O-CB 3.27Å; N179-A182 PolarHBondContact O-N 3.47Å; N179-S183 PolarHBondContact O-N 3.44Å | ||
| 180 | P | 70.5 | Confident | 72 | Confident | 59 Ų | 59 | 33.2 Ų | 33.2 | 38% | 0.383 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -50.2 | -35.8 | 179.9 | 15.8 | -31.5 | 0 | 0 | 0 | 114 | S183 A184 | P180-S183 PolarHBondContact O-N 2.9Å; P180-A184 WeakPolarHBondContact O-CB 3.14Å; P180-A184 PolarHBondContact O-N 3.27Å |
| 181 | T | 74.9 | Confident | 73.6 | Confident | 100 Ų | 100 | 34.6 Ų | 34.6 | 61% | 0.613 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -67.8 | -42.9 | 176.7 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | N179 A184 A185 | N179-T181 VanDerWaalsContact CG-OG1 3.31Å; N179-T181 PolarHBondContact O-N 2.88Å; N179-T181 PolarHBondContact OD1-N 2.91Å; N179-T181 VanDerWaalsContact OD1-N 3.17Å; N179-T181 PolarHBondContact OD1-OG1 3.31Å; T181-A184 PolarHBondContact O-N 2.98Å; T181-A185 WeakPolarHBondContact O-CB 3.45Å; T181-A185 PolarHBondContact O-N 3.28Å |
| 182 | A | 76.4 | Confident | 75.1 | Confident | 24 Ų | 24 | 37 Ų | 37 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I178 N179 A184 A185 I186 | I178-A182 HydrophobicContact CG2-CB 3.79Å; N179-A182 HydrophobicContact CB-CB 4.15Å; N179-A182 CarbonylContact O-C 3.58Å; N179-A182 WeakPolarHBondContact O-CA 3.45Å; N179-A182 WeakPolarHBondContact O-CB 3.27Å; N179-A182 PolarHBondContact O-N 3.47Å; A182-A184 PolarHBondContact O-N 2.71Å; A182-A185 PolarHBondContact O-N 3.44Å; A182-I186 WeakPolarHBondContact O-CB 3.47Å; A182-I186 VanDerWaalsContact O-CD1 3.28Å; A182-I186 WeakPolarHBondContact O-CD1 3.23Å; A182-I186 WeakPolarHBondContact O-CG1 3.49Å; A182-I186 PolarHBondContact O-N 2.92Å |
| 183 | S | 76.5 | Confident | 76.2 | Confident | 14 Ų | 14 | 40 Ų | 40 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 175.8 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | N179 P180 A185 I186 V187 T260 | N179-S183 PolarHBondContact O-N 3.44Å; P180-S183 PolarHBondContact O-N 2.9Å; S183-A185 PolarHBondContact O-N 3.49Å; S183-I186 PolarHBondContact O-N 3.38Å; S183-V187 WeakPolarHBondContact O-CB 3.21Å; S183-V187 VanDerWaalsContact O-CG2 3.3Å; S183-V187 WeakPolarHBondContact O-CG2 3.46Å; S183-V187 PolarHBondContact O-N 2.92Å; S183-T260 VanDerWaalsContact OG-CG2 3.31Å; S183-T260 WeakPolarHBondContact OG-CG2 3.31Å |
| 184 | A | 79.3 | Confident | 77.4 | Confident | 51 Ų | 51 | 40.2 Ų | 40.2 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P180 T181 A182 V187 S188 | P180-A184 WeakPolarHBondContact O-CB 3.14Å; P180-A184 PolarHBondContact O-N 3.27Å; T181-A184 PolarHBondContact O-N 2.98Å; A182-A184 PolarHBondContact O-N 2.71Å; A184-V187 PolarHBondContact O-N 2.94Å; A184-S188 WeakPolarHBondContact O-CB 3.43Å; A184-S188 PolarHBondContact O-N 3.19Å |
| 185 | A | 83.2 | Confident | 78.5 | Confident | 48 Ų | 48 | 43.8 Ų | 43.8 | 40% | 0.397 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T181 A182 S183 S188 I189 | T181-A185 WeakPolarHBondContact O-CB 3.45Å; T181-A185 PolarHBondContact O-N 3.28Å; A182-A185 PolarHBondContact O-N 3.44Å; S183-A185 PolarHBondContact O-N 3.49Å; A185-S188 PolarHBondContact O-N 2.98Å; A185-I189 WeakPolarHBondContact O-CB 3.33Å; A185-I189 VanDerWaalsContact O-CG1 3.25Å; A185-I189 WeakPolarHBondContact O-CG1 3.32Å; A185-I189 PolarHBondContact O-N 2.85Å |
| 186 | I | 83.4 | Confident | 79.9 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | 177 | -68.1 | 157.1 | 0 | 0 | 0 | 110.4 | F109 I159 I178 A182 S183 S188 I189 T190 | F109-I186 HydrophobicContact CE1-CG2 3.71Å; F109-I186 HydrophobicContact CZ-CB 4.43Å; F109-I186 HydrophobicContact CZ-CD1 4.04Å; F109-I186 HydrophobicContact CZ-CG1 3.96Å; F109-I186 HydrophobicContact CZ-CG2 3.57Å; I159-I186 HydrophobicContact CD1-CD1 3.51Å; I159-I186 HydrophobicContact CD1-CG1 4.4Å; I159-I186 HydrophobicContact CG1-CD1 3.98Å; I178-I186 HydrophobicContact CD1-CD1 4.47Å; I178-I186 HydrophobicContact CG2-CD1 4.12Å; A182-I186 WeakPolarHBondContact O-CB 3.47Å; A182-I186 VanDerWaalsContact O-CD1 3.28Å; A182-I186 WeakPolarHBondContact O-CD1 3.23Å; A182-I186 WeakPolarHBondContact O-CG1 3.49Å; A182-I186 PolarHBondContact O-N 2.92Å; S183-I186 PolarHBondContact O-N 3.38Å; I186-S188 VanDerWaalsContact C-N 3.32Å; I186-S188 PolarHBondContact O-N 3.05Å; I186-I189 PolarHBondContact O-N 3.48Å; I186-T190 HydrophobicContact CG2-CG2 4.18Å; I186-T190 WeakPolarHBondContact O-CB 3.27Å; I186-T190 VanDerWaalsContact O-CG2 3.27Å; I186-T190 WeakPolarHBondContact O-CG2 3.47Å; I186-T190 PolarHBondContact O-N 3.4Å; I186-T190 PolarHBondContact O-OG1 2.91Å |
| 187 | V | 85.2 | Confident | 81.4 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 178.5 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | S183 A184 T190 S191 N257 T260 L261 | S183-V187 WeakPolarHBondContact O-CB 3.21Å; S183-V187 VanDerWaalsContact O-CG2 3.3Å; S183-V187 WeakPolarHBondContact O-CG2 3.46Å; S183-V187 PolarHBondContact O-N 2.92Å; A184-V187 PolarHBondContact O-N 2.94Å; V187-T190 PolarHBondContact O-OG1 3.35Å; V187-S191 WeakPolarHBondContact O-CB 3.31Å; V187-S191 PolarHBondContact O-N 3.35Å; V187-S191 PolarHBondContact O-OG 3.34Å; V187-N257 HydrophobicContact CG1-CB 3.92Å; V187-T260 HydrophobicContact CG2-CG2 3.8Å; V187-L261 HydrophobicContact CG1-CD1 3.91Å; V187-L261 HydrophobicContact CG1-CD2 4.1Å; V187-L261 HydrophobicContact CG1-CG 3.89Å |
| 188 | S | 86.9 | Confident | 82.9 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -53.2 | 177.9 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | A184 A185 I186 T190 S191 S192 | A184-S188 WeakPolarHBondContact O-CB 3.43Å; A184-S188 PolarHBondContact O-N 3.19Å; A185-S188 PolarHBondContact O-N 2.98Å; I186-S188 VanDerWaalsContact C-N 3.32Å; I186-S188 PolarHBondContact O-N 3.05Å; S188-T190 PolarHBondContact O-N 2.98Å; S188-S191 PolarHBondContact O-N 3.15Å; S188-S192 PolarHBondContact O-N 3.48Å; S188-S192 PolarHBondContact O-OG 2.74Å; S188-S192 VanDerWaalsContact O-OG 3.1Å |
| 189 | I | 87.6 | Confident | 84.2 | Confident | 102 Ų | 102 | 52 Ų | 52 | 52% | 0.523 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | -177.6 | -67.5 | 165.7 | 0 | 0 | 0 | 111 | A185 I186 S191 S192 I193 | A185-I189 WeakPolarHBondContact O-CB 3.33Å; A185-I189 VanDerWaalsContact O-CG1 3.25Å; A185-I189 WeakPolarHBondContact O-CG1 3.32Å; A185-I189 PolarHBondContact O-N 2.85Å; I186-I189 PolarHBondContact O-N 3.48Å; I189-S191 PolarHBondContact O-N 3.44Å; I189-S192 PolarHBondContact O-N 2.85Å; I189-I193 HydrophobicContact CG2-CD1 3.73Å; I189-I193 HydrophobicContact CG2-CG1 4.46Å; I189-I193 VanDerWaalsContact O-CG1 3.29Å; I189-I193 WeakPolarHBondContact O-CG1 3.36Å; I189-I193 PolarHBondContact O-N 3.46Å |
| 190 | T | 86.6 | Confident | 85.3 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | -179 | 55 | 0 | 0 | 0 | 0 | 111.2 | I186 V187 S188 S192 I193 Q194 W253 N257 | I186-T190 HydrophobicContact CG2-CG2 4.18Å; I186-T190 WeakPolarHBondContact O-CB 3.27Å; I186-T190 VanDerWaalsContact O-CG2 3.27Å; I186-T190 WeakPolarHBondContact O-CG2 3.47Å; I186-T190 PolarHBondContact O-N 3.4Å; I186-T190 PolarHBondContact O-OG1 2.91Å; V187-T190 PolarHBondContact O-OG1 3.35Å; S188-T190 PolarHBondContact O-N 2.98Å; T190-S192 PolarHBondContact O-N 3.49Å; T190-I193 PolarHBondContact O-N 3.34Å; T190-Q194 VanDerWaalsContact O-CG 3.24Å; T190-Q194 WeakPolarHBondContact O-CG 3.36Å; T190-Q194 PolarHBondContact O-N 2.8Å; T190-W253 HydrophobicContact CG2-CZ3 4.41Å; T190-N257 PolarHBondContact OG1-ND2 3.09Å; T190-N257 PolarHBondContact OG1-OD1 3.09Å |
| 191 | S | 88.1 | Confident | 86.3 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 28% | 0.28 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | V187 S188 I189 I193 Q194 V195 N257 | V187-S191 WeakPolarHBondContact O-CB 3.31Å; V187-S191 PolarHBondContact O-N 3.35Å; V187-S191 PolarHBondContact O-OG 3.34Å; S188-S191 PolarHBondContact O-N 3.15Å; I189-S191 PolarHBondContact O-N 3.44Å; S191-I193 PolarHBondContact O-N 3.24Å; S191-Q194 PolarHBondContact O-N 3.48Å; S191-V195 WeakPolarHBondContact O-CG2 3.37Å; S191-V195 PolarHBondContact O-N 2.85Å; S191-N257 PolarHBondContact N-ND2 2.82Å; S191-N257 PolarHBondContact OG-ND2 3.13Å |
| 192 | S | 89.8 | Confident | 87.1 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 176.9 | -63.2 | 0 | 0 | 0 | 0 | 112 | S188 I189 T190 Q194 V196 | S188-S192 PolarHBondContact O-N 3.48Å; S188-S192 PolarHBondContact O-OG 2.74Å; S188-S192 VanDerWaalsContact O-OG 3.1Å; I189-S192 PolarHBondContact O-N 2.85Å; T190-S192 PolarHBondContact O-N 3.49Å; S192-Q194 VanDerWaalsContact C-N 3.35Å; S192-Q194 PolarHBondContact O-N 3.45Å; S192-V196 VanDerWaalsContact O-CB 3.24Å; S192-V196 WeakPolarHBondContact O-CB 3.29Å; S192-V196 VanDerWaalsContact O-CG2 3.26Å; S192-V196 WeakPolarHBondContact O-CG2 3.29Å; S192-V196 PolarHBondContact O-N 3.43Å |
| 193 | I | 89.5 | Confident | 87.8 | Confident | 65 Ų | 65 | 50.2 Ų | 50.2 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 177.6 | -69.2 | 167.6 | 0 | 0 | 0 | 110.9 | V112 A116 I189 T190 S191 G197 | V112-I193 HydrophobicContact CG1-CG2 4.07Å; A116-I193 HydrophobicContact CB-CG2 4.15Å; I189-I193 HydrophobicContact CG2-CD1 3.73Å; I189-I193 HydrophobicContact CG2-CG1 4.46Å; I189-I193 VanDerWaalsContact O-CG1 3.29Å; I189-I193 WeakPolarHBondContact O-CG1 3.36Å; I189-I193 PolarHBondContact O-N 3.46Å; T190-I193 PolarHBondContact O-N 3.34Å; S191-I193 PolarHBondContact O-N 3.24Å; I193-G197 VanDerWaalsContact O-CA 3.29Å; I193-G197 WeakPolarHBondContact O-CA 3.24Å; I193-G197 PolarHBondContact O-N 2.96Å |
| 194 | Q | 88.9 | Confident | 88.4 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.3 | -46.7 | -178.7 | -64.1 | -64.7 | -14.8 | 0 | 0 | 112.2 | T190 S191 S192 L198 N249 A250 W253 | T190-Q194 VanDerWaalsContact O-CG 3.24Å; T190-Q194 WeakPolarHBondContact O-CG 3.36Å; T190-Q194 PolarHBondContact O-N 2.8Å; S191-Q194 PolarHBondContact O-N 3.48Å; S192-Q194 VanDerWaalsContact C-N 3.35Å; S192-Q194 PolarHBondContact O-N 3.45Å; Q194-L198 WeakPolarHBondContact O-CB 3.38Å; Q194-L198 PolarHBondContact O-N 3Å; Q194-N249 PolarHBondContact NE2-ND2 2.96Å; Q194-N249 PolarHBondContact OE1-ND2 3.39Å; Q194-A250 HydrophobicContact CB-CB 4.42Å; Q194-W253 HydrophobicContact CG-CB 3.88Å; Q194-W253 HydrophobicContact CG-CG 4.46Å |
| 195 | V | 89.1 | Confident | 88.9 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.6 | -51 | -178.1 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | S191 G197 L198 I199 | S191-V195 WeakPolarHBondContact O-CG2 3.37Å; S191-V195 PolarHBondContact O-N 2.85Å; V195-G197 VanDerWaalsContact C-N 3.35Å; V195-L198 PolarHBondContact O-N 2.78Å; V195-I199 HydrophobicContact CG1-CD1 3.89Å; V195-I199 VanDerWaalsContact O-CG1 3.28Å; V195-I199 WeakPolarHBondContact O-CG1 3.33Å; V195-I199 PolarHBondContact O-N 3.36Å |
| 196 | V | 90.8 | Very high | 89.3 | Confident | 79 Ų | 79 | 51.4 Ų | 51.4 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 179.5 | 177 | 0 | 0 | 0 | 0 | 110.2 | S192 L198 I199 L200 | S192-V196 VanDerWaalsContact O-CB 3.24Å; S192-V196 WeakPolarHBondContact O-CB 3.29Å; S192-V196 VanDerWaalsContact O-CG2 3.26Å; S192-V196 WeakPolarHBondContact O-CG2 3.29Å; S192-V196 PolarHBondContact O-N 3.43Å; V196-L198 PolarHBondContact O-N 2.82Å; V196-I199 PolarHBondContact O-N 3.42Å; V196-L200 HydrophobicContact CG1-CD1 3.77Å; V196-L200 HydrophobicContact CG1-CG 4.15Å; V196-L200 WeakPolarHBondContact O-CB 3.42Å; V196-L200 VanDerWaalsContact O-CG 3.24Å; V196-L200 WeakPolarHBondContact O-CG 3.14Å; V196-L200 PolarHBondContact O-N 2.86Å |
| 197 | G | 88.9 | Confident | 89.5 | Confident | 7 Ų | 7 | 56 Ų | 56 | 7% | 0.072 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58 | -47.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I193 V195 L200 Y201 | I193-G197 VanDerWaalsContact O-CA 3.29Å; I193-G197 WeakPolarHBondContact O-CA 3.24Å; I193-G197 PolarHBondContact O-N 2.96Å; V195-G197 VanDerWaalsContact C-N 3.35Å; G197-L200 PolarHBondContact O-N 3.47Å; G197-Y201 WeakPolarHBondContact O-CB 3.46Å; G197-Y201 PolarHBondContact O-N 3.39Å |
| 198 | L | 91.5 | Very high | 89.4 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 178.1 | -175.8 | 66.1 | 0 | 0 | 0 | 112 | Q194 V195 V196 Y201 V202 I246 V247 A250 | Q194-L198 WeakPolarHBondContact O-CB 3.38Å; Q194-L198 PolarHBondContact O-N 3Å; V195-L198 PolarHBondContact O-N 2.78Å; V196-L198 PolarHBondContact O-N 2.82Å; L198-Y201 PolarHBondContact O-N 2.9Å; L198-V202 HydrophobicContact CD1-CG2 4.16Å; L198-V202 HydrophobicContact CG-CG2 4.46Å; L198-V202 WeakPolarHBondContact O-CB 3.37Å; L198-V202 WeakPolarHBondContact O-CG2 3.29Å; L198-V202 PolarHBondContact O-N 2.9Å; L198-I246 HydrophobicContact CD1-CG2 4Å; L198-V247 HydrophobicContact CD1-CG2 4.09Å; L198-A250 HydrophobicContact CD2-CB 4.21Å |
| 199 | I | 92.8 | Very high | 89.3 | Confident | 117 Ų | 117 | 57.6 Ų | 57.6 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.7 | -48.8 | 179 | -67.7 | 167.1 | 0 | 0 | 0 | 110.5 | V195 V196 Y201 G203 | V195-I199 HydrophobicContact CG1-CD1 3.89Å; V195-I199 VanDerWaalsContact O-CG1 3.28Å; V195-I199 WeakPolarHBondContact O-CG1 3.33Å; V195-I199 PolarHBondContact O-N 3.36Å; V196-I199 PolarHBondContact O-N 3.42Å; I199-Y201 VanDerWaalsContact C-N 3.32Å; I199-Y201 PolarHBondContact O-N 3.28Å; I199-G203 PolarHBondContact O-N 3.44Å |
| 200 | L | 91.2 | Very high | 89.1 | Confident | 110 Ų | 110 | 60.8 Ų | 60.8 | 58% | 0.576 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 178.5 | -72.3 | 176.8 | 0 | 0 | 0 | 111.2 | V196 G197 G203 L204 | V196-L200 HydrophobicContact CG1-CD1 3.77Å; V196-L200 HydrophobicContact CG1-CG 4.15Å; V196-L200 WeakPolarHBondContact O-CB 3.42Å; V196-L200 VanDerWaalsContact O-CG 3.24Å; V196-L200 WeakPolarHBondContact O-CG 3.14Å; V196-L200 PolarHBondContact O-N 2.86Å; G197-L200 PolarHBondContact O-N 3.47Å; L200-G203 PolarHBondContact O-N 3.4Å; L200-L204 VanDerWaalsContact O-CB 3.24Å; L200-L204 WeakPolarHBondContact O-CB 3.44Å; L200-L204 PolarHBondContact O-N 3.11Å |
| 201 | Y | 91.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.3 | -46.5 | -178 | -166.6 | -94.9 | 0 | 0 | 0 | 112.8 | H119 R122 G197 L198 I199 G203 L204 W205 M239 L242 L243 I246 | H119-Y201 AromaticContact CE1-CD2 3.83Å; H119-Y201 AromaticContact CE1-CG 3.91Å; H119-Y201 AromaticContact ND1-CD2 3.21Å; H119-Y201 WeakPolarHBondContact ND1-CD2 3.09Å; H119-Y201 AromaticContact ND1-CG 3.71Å; R122-Y201 HydrophobicContact CB-CE2 4.31Å; R122-Y201 HydrophobicContact CG-CE2 4.04Å; G197-Y201 WeakPolarHBondContact O-CB 3.46Å; G197-Y201 PolarHBondContact O-N 3.39Å; L198-Y201 PolarHBondContact O-N 2.9Å; I199-Y201 VanDerWaalsContact C-N 3.32Å; I199-Y201 PolarHBondContact O-N 3.28Å; Y201-G203 VanDerWaalsContact C-N 3.34Å; Y201-L204 PolarHBondContact O-N 3.49Å; Y201-W205 WeakPolarHBondContact O-CB 3.1Å; Y201-W205 PolarHBondContact O-N 2.92Å; Y201-M239 WeakPolarHBondContact OH-CA 3.27Å; Y201-M239 PolarHBondContact OH-O 3.5Å; Y201-L242 VanDerWaalsContact OH-CB 3.31Å; Y201-L242 WeakPolarHBondContact OH-CB 3.24Å; Y201-L243 HydrophobicContact CD1-CD1 3.91Å; Y201-L243 HydrophobicContact CE1-CB 4.16Å; Y201-L243 HydrophobicContact CE1-CD1 3.88Å; Y201-I246 HydrophobicContact CD1-CD1 3.66Å; Y201-I246 HydrophobicContact CD1-CG2 4.32Å; Y201-I246 HydrophobicContact CD2-CD1 3.61Å; Y201-I246 HydrophobicContact CE1-CD1 3.43Å; Y201-I246 VanDerWaalsContact CE1-CD1 3.43Å; Y201-I246 HydrophobicContact CE2-CD1 3.31Å; Y201-I246 HydrophobicContact CG-CD1 3.74Å; Y201-I246 HydrophobicContact CG-CG2 4.45Å |
| 202 | V | 91.4 | Very high | 88.2 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 30% | 0.297 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.4 | 173 | 0 | 0 | 0 | 0 | 110.4 | L198 L204 W205 L206 L243 | L198-V202 HydrophobicContact CD1-CG2 4.16Å; L198-V202 HydrophobicContact CG-CG2 4.46Å; L198-V202 WeakPolarHBondContact O-CB 3.37Å; L198-V202 WeakPolarHBondContact O-CG2 3.29Å; L198-V202 PolarHBondContact O-N 2.9Å; V202-L204 VanDerWaalsContact C-N 3.32Å; V202-L204 PolarHBondContact O-N 3.05Å; V202-W205 PolarHBondContact O-N 3.23Å; V202-L206 HydrophobicContact CG1-CD1 4.14Å; V202-L206 HydrophobicContact CG1-CG 4.4Å; V202-L206 WeakPolarHBondContact O-CB 3.36Å; V202-L206 WeakPolarHBondContact O-CG 3.47Å; V202-L206 PolarHBondContact O-N 3.29Å; V202-L243 HydrophobicContact CG2-CD1 4.42Å |
| 203 | G | 90.7 | Very high | 87.4 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I199 L200 Y201 L206 Y207 | I199-G203 PolarHBondContact O-N 3.44Å; L200-G203 PolarHBondContact O-N 3.4Å; Y201-G203 VanDerWaalsContact C-N 3.34Å; G203-L206 PolarHBondContact O-N 3.39Å; G203-Y207 WeakPolarHBondContact O-CB 3.28Å; G203-Y207 PolarHBondContact O-N 2.98Å |
| 204 | L | 90.6 | Very high | 86.7 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 177.7 | -167.3 | 68.3 | 0 | 0 | 0 | 112.5 | R122 L123 T126 L200 Y201 V202 Y207 N208 M239 | R122-L204 HydrophobicContact CB-CD2 4.11Å; L123-L204 HydrophobicContact CB-CD2 4.28Å; L123-L204 HydrophobicContact CD1-CD1 4.05Å; T126-L204 HydrophobicContact CG2-CD1 3.66Å; L200-L204 VanDerWaalsContact O-CB 3.24Å; L200-L204 WeakPolarHBondContact O-CB 3.44Å; L200-L204 PolarHBondContact O-N 3.11Å; Y201-L204 PolarHBondContact O-N 3.49Å; V202-L204 VanDerWaalsContact C-N 3.32Å; V202-L204 PolarHBondContact O-N 3.05Å; L204-Y207 PolarHBondContact O-N 2.87Å; L204-N208 PolarHBondContact O-N 3.38Å; L204-M239 HydrophobicContact CB-CE 4.32Å; L204-M239 HydrophobicContact CD2-CE 3.27Å; L204-M239 HydrophobicContact CG-CE 3.5Å; L204-M239 VanDerWaalsContact CG-CE 3.5Å |
| 205 | W | 89.4 | Confident | 85.8 | Confident | 43 Ų | 43 | 67.7 Ų | 67.7 | 16% | 0.163 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 173.6 | 170.3 | 69.5 | 0 | 0 | 0 | 111.6 | Y201 V202 Y207 N208 R209 M239 L243 | Y201-W205 WeakPolarHBondContact O-CB 3.1Å; Y201-W205 PolarHBondContact O-N 2.92Å; V202-W205 PolarHBondContact O-N 3.23Å; W205-Y207 VanDerWaalsContact C-N 3.31Å; W205-Y207 PolarHBondContact O-N 2.86Å; W205-N208 PolarHBondContact O-N 2.88Å; W205-R209 VanDerWaalsContact O-CB 3.32Å; W205-R209 WeakPolarHBondContact O-CB 3.35Å; W205-R209 PolarHBondContact O-N 2.76Å; W205-M239 HydrophobicContact CB-SD 4.45Å; W205-L243 HydrophobicContact CD2-CD2 4.4Å |
| 206 | L | 90.5 | Very high | 84.7 | Confident | 71 Ų | 71 | 69.2 Ų | 69.2 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 175.8 | -71.9 | 174.6 | 0 | 0 | 0 | 111.9 | V202 G203 R210 | V202-L206 HydrophobicContact CG1-CD1 4.14Å; V202-L206 HydrophobicContact CG1-CG 4.4Å; V202-L206 WeakPolarHBondContact O-CB 3.36Å; V202-L206 WeakPolarHBondContact O-CG 3.47Å; V202-L206 PolarHBondContact O-N 3.29Å; G203-L206 PolarHBondContact O-N 3.39Å; L206-R210 WeakPolarHBondContact O-CB 3.3Å; L206-R210 VanDerWaalsContact O-CG 3.3Å; L206-R210 WeakPolarHBondContact O-CG 3.07Å; L206-R210 PolarHBondContact O-N 3.31Å |
| 207 | Y | 88.6 | Confident | 83.3 | Confident | 130 Ų | 130 | 70.8 Ų | 70.8 | 51% | 0.51 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 175 | 175.2 | -95 | 0 | 0 | 0 | 111.7 | T126 G203 L204 W205 R209 R210 K211 | T126-Y207 HydrophobicContact CG2-CD1 3.93Å; T126-Y207 HydrophobicContact CG2-CE1 3.87Å; G203-Y207 WeakPolarHBondContact O-CB 3.28Å; G203-Y207 PolarHBondContact O-N 2.98Å; L204-Y207 PolarHBondContact O-N 2.87Å; W205-Y207 VanDerWaalsContact C-N 3.31Å; W205-Y207 PolarHBondContact O-N 2.86Å; Y207-R209 PolarHBondContact O-N 3.01Å; Y207-R210 PolarHBondContact O-N 3.2Å; Y207-K211 HydrophobicContact CE1-CD 4.25Å; Y207-K211 WeakPolarHBondContact O-CB 3.09Å; Y207-K211 PolarHBondContact O-N 2.94Å |
| 208 | N | 83.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.011 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 179.6 | -80.6 | -18.7 | 0 | 0 | 0 | 112 | T126 L204 W205 R210 K211 V212 L236 M239 | T126-N208 VanDerWaalsContact CG2-OD1 3.25Å; T126-N208 WeakPolarHBondContact CG2-OD1 3.43Å; T126-N208 PolarHBondContact OG1-ND2 2.89Å; L204-N208 PolarHBondContact O-N 3.38Å; W205-N208 PolarHBondContact O-N 2.88Å; N208-R210 PolarHBondContact O-N 3.43Å; N208-K211 PolarHBondContact O-N 3.48Å; N208-V212 WeakPolarHBondContact O-CG2 3.48Å; N208-V212 PolarHBondContact O-N 3.11Å; N208-L236 HydrophobicContact CB-CD1 4.34Å; N208-M239 HydrophobicContact CB-SD 4.17Å; N208-M239 WeakPolarHBondContact ND2-CE 3.27Å; N208-M239 PolarHBondContact ND2-SD 2.96Å |
| 209 | R | 83.6 | Confident | 80 | Confident | 114 Ų | 114 | 84 Ų | 84 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.2 | -171.2 | 175 | 178.8 | -173.5 | 0 | 111.6 | W205 Y207 K211 V212 M213 L236 | W205-R209 VanDerWaalsContact O-CB 3.32Å; W205-R209 WeakPolarHBondContact O-CB 3.35Å; W205-R209 PolarHBondContact O-N 2.76Å; Y207-R209 PolarHBondContact O-N 3.01Å; R209-K211 VanDerWaalsContact C-N 3.33Å; R209-K211 PolarHBondContact O-N 2.99Å; R209-V212 PolarHBondContact O-N 3.44Å; R209-M213 WeakPolarHBondContact O-CB 3.48Å; R209-M213 VanDerWaalsContact O-CG 3.27Å; R209-M213 WeakPolarHBondContact O-CG 3.29Å; R209-M213 PolarHBondContact O-N 2.97Å; R209-L236 HydrophobicContact CB-CD1 4.14Å |
| 210 | R | 84.8 | Confident | 77.7 | Confident | 169 Ų | 169 | 84.7 Ų | 84.7 | 64% | 0.638 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.6 | -40.9 | 175.2 | -75.9 | 178 | -178.7 | -177.8 | 1.7 | 111.9 | L206 Y207 N208 M213 R214 | L206-R210 WeakPolarHBondContact O-CB 3.3Å; L206-R210 VanDerWaalsContact O-CG 3.3Å; L206-R210 WeakPolarHBondContact O-CG 3.07Å; L206-R210 PolarHBondContact O-N 3.31Å; Y207-R210 PolarHBondContact O-N 3.2Å; N208-R210 PolarHBondContact O-N 3.43Å; R210-M213 PolarHBondContact O-N 3.4Å; R210-R214 WeakPolarHBondContact O-CG 3.33Å; R210-R214 PolarHBondContact O-N 2.9Å |
| 211 | K | 82.1 | Confident | 75.3 | Confident | 43 Ų | 43 | 81.8 Ų | 81.8 | 19% | 0.187 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 178.2 | -173.4 | 176 | 178.2 | 178.1 | 0 | 111.7 | Y207 N208 R209 M213 R214 Q215 Y228 | Y207-K211 HydrophobicContact CE1-CD 4.25Å; Y207-K211 WeakPolarHBondContact O-CB 3.09Å; Y207-K211 PolarHBondContact O-N 2.94Å; N208-K211 PolarHBondContact O-N 3.48Å; R209-K211 VanDerWaalsContact C-N 3.33Å; R209-K211 PolarHBondContact O-N 2.99Å; K211-M213 PolarHBondContact O-N 3.32Å; K211-R214 PolarHBondContact O-N 3.33Å; K211-Q215 VanDerWaalsContact O-CG 3.32Å; K211-Q215 WeakPolarHBondContact O-CG 3.25Å; K211-Q215 PolarHBondContact O-N 3.25Å; K211-Y228 WeakPolarHBondContact CE-OH 3.28Å; K211-Y228 PolarHBondContact NZ-OH 3.37Å |
| 212 | V | 73.5 | Confident | 73.1 | Confident | 4 Ų | 4 | 94.4 Ų | 94.4 | 2% | 0.024 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 111 | N208 R209 Q215 R216 S232 Q233 L236 | N208-V212 WeakPolarHBondContact O-CG2 3.48Å; N208-V212 PolarHBondContact O-N 3.11Å; R209-V212 PolarHBondContact O-N 3.44Å; V212-Q215 WeakPolarHBondContact O-CB 3.28Å; V212-Q215 PolarHBondContact O-N 3.35Å; V212-R216 WeakPolarHBondContact O-CG 3.26Å; V212-R216 PolarHBondContact O-N 2.93Å; V212-S232 VanDerWaalsContact CG2-OG 3.24Å; V212-S232 WeakPolarHBondContact CG2-OG 3.41Å; V212-Q233 HydrophobicContact CG1-CG 4.4Å; V212-L236 HydrophobicContact CB-CD2 4.16Å; V212-L236 HydrophobicContact CG1-CD2 4.23Å; V212-L236 HydrophobicContact CG2-CB 4.36Å; V212-L236 HydrophobicContact CG2-CD2 4.02Å |
| 213 | M | 72.5 | Confident | 70.9 | Confident | 97 Ų | 97 | 103 Ų | 103 | 48% | 0.478 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 177.4 | -71.6 | -61.5 | -128.5 | 0 | 0 | 112.6 | R209 R210 K211 Q215 R216 C217 | R209-M213 WeakPolarHBondContact O-CB 3.48Å; R209-M213 VanDerWaalsContact O-CG 3.27Å; R209-M213 WeakPolarHBondContact O-CG 3.29Å; R209-M213 PolarHBondContact O-N 2.97Å; R210-M213 PolarHBondContact O-N 3.4Å; K211-M213 PolarHBondContact O-N 3.32Å; M213-Q215 VanDerWaalsContact C-N 3.32Å; M213-Q215 PolarHBondContact O-N 3.36Å; M213-R216 WeakPolarHBondContact O-CB 3.41Å; M213-R216 PolarHBondContact O-N 3.41Å; M213-R216 VanDerWaalsContact O-N 3.12Å; M213-C217 PolarHBondContact O-N 2.97Å; M213-C217 PolarHBondContact O-SG 3.5Å; M213-C217 VanDerWaalsContact O-SG 3.41Å |
| 214 | R | 75.2 | Confident | 69 | Low | 171 Ų | 171 | 104.7 Ų | 104.7 | 65% | 0.645 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 174.5 | -75.4 | 177.7 | -176.7 | 178.6 | -0.3 | 111.8 | R210 K211 R216 C217 Q218 | R210-R214 WeakPolarHBondContact O-CG 3.33Å; R210-R214 PolarHBondContact O-N 2.9Å; K211-R214 PolarHBondContact O-N 3.33Å; R214-R216 VanDerWaalsContact C-N 3.26Å; R214-R216 PolarHBondContact O-N 3.01Å; R214-C217 PolarHBondContact O-N 3.46Å; R214-Q218 VanDerWaalsContact O-CB 3.29Å; R214-Q218 WeakPolarHBondContact O-CB 3.19Å; R214-Q218 PolarHBondContact O-N 2.74Å |
| 215 | Q | 69.8 | Low | 67.6 | Low | 18 Ų | 18 | 108.4 Ų | 108.4 | 8% | 0.084 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64 | -28.9 | 175.7 | -70.8 | 175 | -40 | 0 | 0 | 113.3 | K211 V212 M213 S232 | K211-Q215 VanDerWaalsContact O-CG 3.32Å; K211-Q215 WeakPolarHBondContact O-CG 3.25Å; K211-Q215 PolarHBondContact O-N 3.25Å; V212-Q215 WeakPolarHBondContact O-CB 3.28Å; V212-Q215 PolarHBondContact O-N 3.35Å; M213-Q215 VanDerWaalsContact C-N 3.32Å; M213-Q215 PolarHBondContact O-N 3.36Å; Q215-S232 PolarHBondContact OE1-OG 3.43Å |
| 216 | R | 65.2 | Low | 66.4 | Low | 110 Ų | 110 | 110.1 Ų | 110.1 | 42% | 0.415 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.9 | -44.4 | 173.5 | -70.2 | 175.3 | -176.1 | -134 | -8 | 111.7 | V212 M213 R214 D366 | V212-R216 WeakPolarHBondContact O-CG 3.26Å; V212-R216 PolarHBondContact O-N 2.93Å; M213-R216 WeakPolarHBondContact O-CB 3.41Å; M213-R216 PolarHBondContact O-N 3.41Å; M213-R216 VanDerWaalsContact O-N 3.12Å; R214-R216 VanDerWaalsContact C-N 3.26Å; R214-R216 PolarHBondContact O-N 3.01Å; R216-D366 IonicContact CZ-OD1 3.44Å; R216-D366 IonicContact CZ-OD2 3.77Å; R216-D366 IonicContact NH1-OD1 3.7Å; R216-D366 IonicContact NH1-OD2 3.67Å; R216-D366 PolarHBondContact NH1-OD2 2.83Å; R216-D366 IonicContact NH2-OD1 3.8Å; R216-D366 IonicContact NH2-OD2 3.7Å; R216-D366 PolarHBondContact NH2-OD2 3.21Å |
| 217 | C | 62.5 | Low | 65.4 | Low | 112 Ų | 112 | 108.9 Ų | 108.9 | 76% | 0.757 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.5 | -36.6 | -179.3 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | M213 R214 R219 | M213-C217 PolarHBondContact O-N 2.97Å; M213-C217 PolarHBondContact O-SG 3.5Å; M213-C217 VanDerWaalsContact O-SG 3.41Å; R214-C217 PolarHBondContact O-N 3.46Å; C217-R219 PolarHBondContact O-N 2.76Å |
| 218 | Q | 58.2 | Low | 64.6 | Low | 93 Ų | 93 | 105.5 Ų | 105.5 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | trans | -79 | 104.8 | 175.7 | -74.4 | 179.1 | -36.3 | 0 | 0 | 109.4 | R214 E220 | R214-Q218 VanDerWaalsContact O-CB 3.29Å; R214-Q218 WeakPolarHBondContact O-CB 3.19Å; R214-Q218 PolarHBondContact O-N 2.74Å; Q218-E220 HydrophobicContact CB-CB 3.93Å; Q218-E220 HydrophobicContact CB-CG 4.14Å; Q218-E220 HydrophobicContact CG-CB 4.44Å; Q218-E220 HydrophobicContact CG-CG 4.32Å; Q218-E220 VanDerWaalsContact CG-OE2 3.23Å; Q218-E220 WeakPolarHBondContact CG-OE2 3.32Å; Q218-E220 PolarHBondContact NE2-OE2 3.36Å; Q218-E220 PolarHBondContact O-N 2.91Å | ||
| 219 | R | 52 | Low | 63.9 | Low | 244 Ų | 244 | 109.2 Ų | 109.2 | 92% | 0.921 | 48% | 0.483 | S | S | * | . | trans | -59.2 | -0.7 | 154.5 | -79.7 | -176.6 | 175.4 | 174.7 | -0.6 | 112.3 | C217 S221 | C217-R219 PolarHBondContact O-N 2.76Å; R219-S221 PolarHBondContact O-N 2.76Å | ||
| 220 | E | 45.1 | Very low | 63.3 | Low | 132 Ų | 132 | 105.5 Ų | 105.5 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | trans | -72.6 | 75.1 | -176.8 | -55.9 | 179.3 | 137.5 | 0 | 0 | 112 | Q218 | Q218-E220 HydrophobicContact CB-CB 3.93Å; Q218-E220 HydrophobicContact CB-CG 4.14Å; Q218-E220 HydrophobicContact CG-CB 4.44Å; Q218-E220 HydrophobicContact CG-CG 4.32Å; Q218-E220 VanDerWaalsContact CG-OE2 3.23Å; Q218-E220 WeakPolarHBondContact CG-OE2 3.32Å; Q218-E220 PolarHBondContact NE2-OE2 3.36Å; Q218-E220 PolarHBondContact O-N 2.91Å | ||
| 221 | S | 40.9 | Very low | 62.9 | Low | 48 Ų | 48 | 98.6 Ų | 98.6 | 34% | 0.336 | 45% | 0.446 | S | S | . | . | trans | 143.1 | 104.9 | 131.2 | 60.9 | 0 | 0 | 0 | 0 | 106.5 | R219 R223 Q224 | R219-S221 PolarHBondContact O-N 2.76Å; S221-R223 PolarHBondContact O-N 3.27Å; S221-Q224 PolarHBondContact O-N 2.97Å; S221-Q224 WeakPolarHBondContact OG-CG 3.34Å; S221-Q224 PolarHBondContact OG-N 3Å | ||
| 222 | R | 45.8 | Very low | 62.6 | Low | 267 Ų | 267 | 96.7 Ų | 96.7 | 100% | 1.008 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -2.4 | 160.4 | -83.8 | -178.6 | 175.2 | 178.3 | -2 | 113.1 | ||
| 223 | R | 43.6 | Very low | 62.8 | Low | 231 Ų | 231 | 99.6 Ų | 99.6 | 87% | 0.872 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -9.6 | 176.4 | -84.6 | -175.7 | 173.4 | 173.3 | -1.5 | 115.8 | S221 V225 | S221-R223 PolarHBondContact O-N 3.27Å; R223-V225 VanDerWaalsContact C-N 3.32Å; R223-V225 PolarHBondContact O-N 2.93Å |
| 224 | Q | 52.1 | Low | 63.1 | Low | 76 Ų | 76 | 99 Ų | 99 | 36% | 0.355 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -69.6 | 100.7 | 163.8 | -90.2 | -177.4 | 12.3 | 0 | 0 | 107.4 | S221 L226 | S221-Q224 PolarHBondContact O-N 2.97Å; S221-Q224 WeakPolarHBondContact OG-CG 3.34Å; S221-Q224 PolarHBondContact OG-N 3Å; Q224-L226 PolarHBondContact O-N 3.05Å |
| 225 | V | 60.5 | Low | 63.4 | Low | 102 Ų | 102 | 90.9 Ų | 90.9 | 62% | 0.618 | 42% | 0.415 | S | S | * | . | trans | -45.4 | 125.5 | -179.3 | -174.6 | 0 | 0 | 0 | 0 | 108 | R223 A227 Y228 | R223-V225 VanDerWaalsContact C-N 3.32Å; R223-V225 PolarHBondContact O-N 2.93Å; V225-A227 HydrophobicContact CB-CB 4.5Å; V225-A227 HydrophobicContact CG1-CB 3.75Å; V225-A227 CarbonylContact O-C 3.59Å; V225-A227 PolarHBondContact O-N 3.4Å; V225-Y228 WeakPolarHBondContact O-CB 3.33Å; V225-Y228 PolarHBondContact O-N 3.35Å | ||
| 226 | L | 64 | Low | 64 | Low | 79 Ų | 79 | 90.9 Ų | 90.9 | 41% | 0.414 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -42.4 | -36.7 | 178.9 | -177.9 | 60.3 | 0 | 0 | 0 | 112.6 | Q224 Y228 R229 L230 I369 V378 | Q224-L226 PolarHBondContact O-N 3.05Å; L226-Y228 PolarHBondContact O-N 3.48Å; L226-R229 PolarHBondContact O-N 2.99Å; L226-R229 VanDerWaalsContact O-N 3.17Å; L226-L230 HydrophobicContact CG-CD1 4.12Å; L226-L230 WeakPolarHBondContact O-CG 3.48Å; L226-L230 PolarHBondContact O-N 2.96Å; L226-I369 HydrophobicContact CD1-CD1 3.88Å; L226-V378 HydrophobicContact CD2-CB 4.18Å; L226-V378 HydrophobicContact CD2-CG1 3.37Å; L226-V378 HydrophobicContact CD2-CG2 4.29Å |
| 227 | A | 69.7 | Low | 64.7 | Low | 45 Ų | 45 | 88.2 Ų | 88.2 | 37% | 0.372 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -48.2 | -49.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113.6 | V225 R229 L230 E231 | V225-A227 HydrophobicContact CB-CB 4.5Å; V225-A227 HydrophobicContact CG1-CB 3.75Å; V225-A227 CarbonylContact O-C 3.59Å; V225-A227 PolarHBondContact O-N 3.4Å; A227-R229 VanDerWaalsContact C-N 3.33Å; A227-R229 PolarHBondContact O-N 3.32Å; A227-L230 PolarHBondContact O-N 3Å; A227-E231 WeakPolarHBondContact O-CB 3.33Å; A227-E231 VanDerWaalsContact O-CG 3.29Å; A227-E231 WeakPolarHBondContact O-CG 3.19Å; A227-E231 PolarHBondContact O-N 3.44Å |
| 228 | Y | 71.5 | Confident | 65.7 | Low | 58 Ų | 58 | 83.4 Ų | 83.4 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | -179.2 | -171.7 | -105.9 | 0 | 0 | 0 | 113 | I129 K211 V225 L226 S232 | I129-Y228 HydrophobicContact CG1-CE2 4.47Å; I129-Y228 HydrophobicContact CG2-CE2 3.89Å; I129-Y228 VanDerWaalsContact CG2-OH 3.31Å; I129-Y228 WeakPolarHBondContact CG2-OH 3.47Å; K211-Y228 WeakPolarHBondContact CE-OH 3.28Å; K211-Y228 PolarHBondContact NZ-OH 3.37Å; V225-Y228 WeakPolarHBondContact O-CB 3.33Å; V225-Y228 PolarHBondContact O-N 3.35Å; L226-Y228 PolarHBondContact O-N 3.48Å; Y228-S232 WeakPolarHBondContact O-CB 3.33Å; Y228-S232 PolarHBondContact O-N 3.44Å |
| 229 | R | 69.5 | Low | 67 | Low | 81 Ų | 81 | 79 Ų | 79 | 31% | 0.306 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.8 | -44.1 | 176.7 | -68.5 | -178 | 178.8 | -163.4 | -6.4 | 110.7 | L226 A227 S232 Q233 | L226-R229 PolarHBondContact O-N 2.99Å; L226-R229 VanDerWaalsContact O-N 3.17Å; A227-R229 VanDerWaalsContact C-N 3.33Å; A227-R229 PolarHBondContact O-N 3.32Å; R229-S232 WeakPolarHBondContact O-CB 3.39Å; R229-S232 PolarHBondContact O-N 2.91Å; R229-Q233 WeakPolarHBondContact O-CG 3.24Å; R229-Q233 PolarHBondContact O-N 3.32Å |
| 230 | L | 71.1 | Confident | 68.6 | Low | 35 Ų | 35 | 70 Ų | 70 | 18% | 0.183 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 175.4 | -72.1 | 171.6 | 0 | 0 | 0 | 111.6 | L226 A227 S232 Q233 K234 I369 L371 V378 | L226-L230 HydrophobicContact CG-CD1 4.12Å; L226-L230 WeakPolarHBondContact O-CG 3.48Å; L226-L230 PolarHBondContact O-N 2.96Å; A227-L230 PolarHBondContact O-N 3Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 3.23Å; L230-Q233 PolarHBondContact O-N 3.12Å; L230-K234 WeakPolarHBondContact O-CB 3.38Å; L230-K234 PolarHBondContact O-N 2.96Å; L230-I369 HydrophobicContact CD2-CD1 3.94Å; L230-L371 HydrophobicContact CD2-CD1 4.41Å; L230-V378 HydrophobicContact CD1-CG2 4.11Å |
| 231 | E | 76.3 | Confident | 70.5 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.2 | -72.9 | 179.7 | -150.6 | 0 | 0 | 112.3 | G130 E133 A227 K234 S235 | G130-E231 WeakPolarHBondContact CA-OE2 3.37Å; G130-E231 PolarHBondContact N-OE2 3.04Å; E133-E231 HydrophobicContact CB-CB 4.06Å; E133-E231 HydrophobicContact CB-CG 3.7Å; E133-E231 HydrophobicContact CG-CB 4.42Å; A227-E231 WeakPolarHBondContact O-CB 3.33Å; A227-E231 VanDerWaalsContact O-CG 3.29Å; A227-E231 WeakPolarHBondContact O-CG 3.19Å; A227-E231 PolarHBondContact O-N 3.44Å; E231-K234 PolarHBondContact O-N 3.35Å; E231-S235 WeakPolarHBondContact O-CB 3.36Å; E231-S235 PolarHBondContact O-N 3.31Å |
| 232 | S | 76.5 | Confident | 72.7 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.4 | -165.1 | 0 | 0 | 0 | 0 | 112.1 | V212 Q215 Y228 R229 L230 S235 L236 | V212-S232 VanDerWaalsContact CG2-OG 3.24Å; V212-S232 WeakPolarHBondContact CG2-OG 3.41Å; Q215-S232 PolarHBondContact OE1-OG 3.43Å; Y228-S232 WeakPolarHBondContact O-CB 3.33Å; Y228-S232 PolarHBondContact O-N 3.44Å; R229-S232 WeakPolarHBondContact O-CB 3.39Å; R229-S232 PolarHBondContact O-N 2.91Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 3.23Å; S232-S235 PolarHBondContact O-N 2.99Å; S232-L236 PolarHBondContact O-N 2.99Å |
| 233 | Q | 77.4 | Confident | 74.7 | Confident | 65 Ų | 65 | 51 Ų | 51 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 175.5 | -72.1 | -178.7 | -16.6 | 0 | 0 | 112.2 | V212 R229 L230 S235 L236 A237 | V212-Q233 HydrophobicContact CG1-CG 4.4Å; R229-Q233 WeakPolarHBondContact O-CG 3.24Å; R229-Q233 PolarHBondContact O-N 3.32Å; L230-Q233 PolarHBondContact O-N 3.12Å; Q233-S235 PolarHBondContact O-N 3.48Å; Q233-L236 PolarHBondContact O-N 2.7Å; Q233-A237 WeakPolarHBondContact O-CB 3.28Å; Q233-A237 PolarHBondContact O-N 2.89Å |
| 234 | K | 78.3 | Confident | 76.9 | Confident | 84 Ų | 84 | 41.8 Ų | 41.8 | 37% | 0.365 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 176.3 | -175 | -179.1 | 178.1 | -171.5 | 0 | 112 | E133 L230 E231 A237 T238 | E133-K234 IonicContact OE2-NZ 3.54Å; L230-K234 WeakPolarHBondContact O-CB 3.38Å; L230-K234 PolarHBondContact O-N 2.96Å; E231-K234 PolarHBondContact O-N 3.35Å; K234-A237 PolarHBondContact O-N 2.87Å; K234-T238 WeakPolarHBondContact O-CB 3.16Å; K234-T238 PolarHBondContact O-N 3.45Å; K234-T238 PolarHBondContact O-OG1 3.28Å |
| 235 | S | 82.3 | Confident | 78.8 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 175.3 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | E231 S232 Q233 T238 M239 | E231-S235 WeakPolarHBondContact O-CB 3.36Å; E231-S235 PolarHBondContact O-N 3.31Å; S232-S235 PolarHBondContact O-N 2.99Å; Q233-S235 PolarHBondContact O-N 3.48Å; S235-T238 PolarHBondContact O-N 2.93Å; S235-M239 WeakPolarHBondContact O-CG 3.24Å; S235-M239 PolarHBondContact O-N 3.39Å |
| 236 | L | 82.2 | Confident | 80.2 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 176.4 | -178.8 | 63.7 | 0 | 0 | 0 | 111.9 | N208 R209 V212 S232 Q233 T238 M239 E240 | N208-L236 HydrophobicContact CB-CD1 4.34Å; R209-L236 HydrophobicContact CB-CD1 4.14Å; V212-L236 HydrophobicContact CB-CD2 4.16Å; V212-L236 HydrophobicContact CG1-CD2 4.23Å; V212-L236 HydrophobicContact CG2-CB 4.36Å; V212-L236 HydrophobicContact CG2-CD2 4.02Å; S232-L236 PolarHBondContact O-N 2.99Å; Q233-L236 PolarHBondContact O-N 2.7Å; L236-T238 VanDerWaalsContact C-N 3.28Å; L236-T238 PolarHBondContact O-N 3.26Å; L236-M239 WeakPolarHBondContact O-CA 3.21Å; L236-M239 WeakPolarHBondContact O-CB 3.4Å; L236-M239 PolarHBondContact O-N 3.38Å; L236-E240 HydrophobicContact CD1-CG 4.45Å; L236-E240 WeakPolarHBondContact O-CG 3.47Å; L236-E240 PolarHBondContact O-N 3.46Å |
| 237 | A | 80.4 | Confident | 81.5 | Confident | 54 Ų | 54 | 32.6 Ų | 32.6 | 45% | 0.446 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q233 K234 M239 E240 M241 | Q233-A237 WeakPolarHBondContact O-CB 3.28Å; Q233-A237 PolarHBondContact O-N 2.89Å; K234-A237 PolarHBondContact O-N 2.87Å; A237-M239 VanDerWaalsContact C-N 3.3Å; A237-M239 PolarHBondContact O-N 3.29Å; A237-E240 PolarHBondContact O-N 3.32Å; A237-M241 WeakPolarHBondContact O-CB 3.26Å; A237-M241 PolarHBondContact O-N 3.48Å |
| 238 | T | 83.5 | Confident | 82.5 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | 174.1 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | L47 V51 K234 S235 L236 M241 L242 | L47-T238 HydrophobicContact CD1-CG2 4.4Å; V51-T238 HydrophobicContact CB-CG2 4.46Å; V51-T238 HydrophobicContact CG1-CG2 4.15Å; V51-T238 HydrophobicContact CG2-CG2 3.94Å; K234-T238 WeakPolarHBondContact O-CB 3.16Å; K234-T238 PolarHBondContact O-N 3.45Å; K234-T238 PolarHBondContact O-OG1 3.28Å; S235-T238 PolarHBondContact O-N 2.93Å; L236-T238 VanDerWaalsContact C-N 3.28Å; L236-T238 PolarHBondContact O-N 3.26Å; T238-M241 PolarHBondContact O-N 2.95Å; T238-L242 HydrophobicContact CG2-CD1 4.32Å; T238-L242 WeakPolarHBondContact O-CG 3.35Å; T238-L242 PolarHBondContact O-N 2.98Å |
| 239 | M | 85 | Confident | 83.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 176.9 | -77.6 | -175.1 | 164.5 | 0 | 0 | 113 | R122 Y201 L204 W205 N208 S235 L236 A237 M241 L242 L243 | R122-M239 HydrophobicContact CB-CE 3.7Å; R122-M239 HydrophobicContact CG-CE 4.27Å; Y201-M239 WeakPolarHBondContact OH-CA 3.27Å; Y201-M239 PolarHBondContact OH-O 3.5Å; L204-M239 HydrophobicContact CB-CE 4.32Å; L204-M239 HydrophobicContact CD2-CE 3.27Å; L204-M239 HydrophobicContact CG-CE 3.5Å; L204-M239 VanDerWaalsContact CG-CE 3.5Å; W205-M239 HydrophobicContact CB-SD 4.45Å; N208-M239 HydrophobicContact CB-SD 4.17Å; N208-M239 WeakPolarHBondContact ND2-CE 3.27Å; N208-M239 PolarHBondContact ND2-SD 2.96Å; S235-M239 WeakPolarHBondContact O-CG 3.24Å; S235-M239 PolarHBondContact O-N 3.39Å; L236-M239 WeakPolarHBondContact O-CA 3.21Å; L236-M239 WeakPolarHBondContact O-CB 3.4Å; L236-M239 PolarHBondContact O-N 3.38Å; A237-M239 VanDerWaalsContact C-N 3.3Å; A237-M239 PolarHBondContact O-N 3.29Å; M239-M241 VanDerWaalsContact C-N 3.34Å; M239-L242 PolarHBondContact O-N 3.31Å; M239-L243 WeakPolarHBondContact O-CB 3.34Å; M239-L243 PolarHBondContact O-N 2.95Å |
| 240 | E | 84.8 | Confident | 84.4 | Confident | 56 Ų | 56 | 26 Ų | 26 | 26% | 0.262 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.8 | -36 | 178.6 | -71.5 | 177.5 | 166.5 | 0 | 0 | 111.6 | L236 A237 P244 | L236-E240 HydrophobicContact CD1-CG 4.45Å; L236-E240 WeakPolarHBondContact O-CG 3.47Å; L236-E240 PolarHBondContact O-N 3.46Å; A237-E240 PolarHBondContact O-N 3.32Å; E240-P244 VanDerWaalsContact O-CD 3.25Å; E240-P244 WeakPolarHBondContact O-CD 3.48Å |
| 241 | M | 84.9 | Confident | 85.3 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 5% | 0.054 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 172.2 | 177 | -171.7 | 172.3 | 0 | 0 | 112.4 | L47 L55 A237 T238 M239 F303 H306 L307 | L47-M241 HydrophobicContact CD1-SD 3.97Å; L55-M241 HydrophobicContact CD1-CE 4Å; A237-M241 WeakPolarHBondContact O-CB 3.26Å; A237-M241 PolarHBondContact O-N 3.48Å; T238-M241 PolarHBondContact O-N 2.95Å; M239-M241 VanDerWaalsContact C-N 3.34Å; M241-F303 HydrophobicContact CE-CB 4.16Å; M241-F303 HydrophobicContact CE-CD1 3.81Å; M241-F303 HydrophobicContact CE-CG 4.36Å; M241-H306 HydrophobicContact CB-CB 4.18Å; M241-H306 HydrophobicContact CG-CB 3.76Å; M241-L307 HydrophobicContact CE-CD2 3.83Å; M241-L307 HydrophobicContact CE-CG 3.79Å |
| 242 | L | 88.1 | Confident | 86 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -81.2 | -22.8 | -176.4 | -65.4 | 175 | 0 | 0 | 0 | 113.2 | V51 L55 M118 R122 Y201 T238 M239 S245 I246 F303 | V51-L242 HydrophobicContact CG1-CD1 4.1Å; V51-L242 HydrophobicContact CG1-CD2 4.15Å; L55-L242 HydrophobicContact CD2-CD2 3.98Å; M118-L242 HydrophobicContact SD-CD1 4.49Å; M118-L242 HydrophobicContact SD-CD2 4Å; R122-L242 HydrophobicContact CG-CD1 4.24Å; Y201-L242 VanDerWaalsContact OH-CB 3.31Å; Y201-L242 WeakPolarHBondContact OH-CB 3.24Å; T238-L242 HydrophobicContact CG2-CD1 4.32Å; T238-L242 WeakPolarHBondContact O-CG 3.35Å; T238-L242 PolarHBondContact O-N 2.98Å; M239-L242 PolarHBondContact O-N 3.31Å; L242-S245 WeakPolarHBondContact O-CB 3.25Å; L242-S245 PolarHBondContact O-N 3.04Å; L242-I246 HydrophobicContact CB-CD1 4.04Å; L242-I246 WeakPolarHBondContact O-CG1 3.28Å; L242-I246 PolarHBondContact O-N 2.98Å; L242-F303 HydrophobicContact CD2-CE1 3.82Å; L242-F303 HydrophobicContact CD2-CZ 4.46Å |
| 243 | L | 88.1 | Confident | 86.5 | Confident | 35 Ų | 35 | 27.8 Ų | 27.8 | 18% | 0.183 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.4 | -49.2 | -172.5 | 179.4 | 68.4 | 0 | 0 | 0 | 113.7 | Y201 V202 W205 M239 S245 I246 V247 | Y201-L243 HydrophobicContact CD1-CD1 3.91Å; Y201-L243 HydrophobicContact CE1-CB 4.16Å; Y201-L243 HydrophobicContact CE1-CD1 3.88Å; V202-L243 HydrophobicContact CG2-CD1 4.42Å; W205-L243 HydrophobicContact CD2-CD2 4.4Å; M239-L243 WeakPolarHBondContact O-CB 3.34Å; M239-L243 PolarHBondContact O-N 2.95Å; L243-S245 VanDerWaalsContact C-N 3.27Å; L243-S245 PolarHBondContact O-N 2.81Å; L243-I246 PolarHBondContact O-N 2.88Å; L243-V247 HydrophobicContact CD1-CG2 4.22Å; L243-V247 WeakPolarHBondContact O-CG2 3.28Å; L243-V247 PolarHBondContact O-N 3.43Å |
| 244 | P | 88.7 | Confident | 87 | Confident | 39 Ų | 39 | 27.5 Ų | 27.5 | 25% | 0.253 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 179.2 | -24.9 | 35.4 | 0 | 0 | 0 | 112.5 | E240 V247 L248 L302 | E240-P244 VanDerWaalsContact O-CD 3.25Å; E240-P244 WeakPolarHBondContact O-CD 3.48Å; P244-V247 PolarHBondContact O-N 2.91Å; P244-L248 WeakPolarHBondContact O-CB 3.48Å; P244-L248 PolarHBondContact O-N 3.1Å; P244-L302 HydrophobicContact CB-CD1 4.07Å; P244-L302 HydrophobicContact CB-CD2 3.93Å; P244-L302 HydrophobicContact CB-CG 4.47Å |
| 245 | S | 91.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.1 | -38.6 | 179.5 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | F115 L242 L243 N249 H299 F303 | F115-S245 WeakPolarHBondContact CE1-OG 3.45Å; F115-S245 VanDerWaalsContact CZ-OG 3.32Å; F115-S245 WeakPolarHBondContact CZ-OG 3.47Å; L242-S245 WeakPolarHBondContact O-CB 3.25Å; L242-S245 PolarHBondContact O-N 3.04Å; L243-S245 VanDerWaalsContact C-N 3.27Å; L243-S245 PolarHBondContact O-N 2.81Å; S245-N249 WeakPolarHBondContact O-CB 3.46Å; S245-N249 PolarHBondContact O-N 3.37Å; S245-H299 PolarHBondContact O-CE1 3.06Å; S245-H299 PolarHBondContact OG-CE1 3.26Å; S245-H299 VanDerWaalsContact OG-CE1 3.28Å; S245-H299 PolarHBondContact OG-ND1 3.22Å; S245-F303 VanDerWaalsContact CB-CZ 3.49Å; S245-F303 WeakPolarHBondContact OG-CZ 3.49Å |
| 246 | I | 90.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.9 | -45.3 | 176.3 | -74.9 | 162.6 | 0 | 0 | 0 | 110.8 | F115 L198 Y201 L242 L243 N249 A250 | F115-I246 HydrophobicContact CD1-CG1 3.7Å; F115-I246 HydrophobicContact CE1-CG1 3.93Å; L198-I246 HydrophobicContact CD1-CG2 4Å; Y201-I246 HydrophobicContact CD1-CD1 3.66Å; Y201-I246 HydrophobicContact CD1-CG2 4.32Å; Y201-I246 HydrophobicContact CD2-CD1 3.61Å; Y201-I246 HydrophobicContact CE1-CD1 3.43Å; Y201-I246 VanDerWaalsContact CE1-CD1 3.43Å; Y201-I246 HydrophobicContact CE2-CD1 3.31Å; Y201-I246 HydrophobicContact CG-CD1 3.74Å; Y201-I246 HydrophobicContact CG-CG2 4.45Å; L242-I246 HydrophobicContact CB-CD1 4.04Å; L242-I246 WeakPolarHBondContact O-CG1 3.28Å; L242-I246 PolarHBondContact O-N 2.98Å; L243-I246 PolarHBondContact O-N 2.88Å; I246-N249 PolarHBondContact O-N 3.09Å; I246-A250 PolarHBondContact O-N 2.96Å |
| 247 | V | 91 | Very high | 87.7 | Confident | 61 Ų | 61 | 25.9 Ų | 25.9 | 37% | 0.37 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62 | -46.9 | 177.2 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | L198 L243 P244 N249 A250 V251 | L198-V247 HydrophobicContact CD1-CG2 4.09Å; L243-V247 HydrophobicContact CD1-CG2 4.22Å; L243-V247 WeakPolarHBondContact O-CG2 3.28Å; L243-V247 PolarHBondContact O-N 3.43Å; P244-V247 PolarHBondContact O-N 2.91Å; V247-N249 VanDerWaalsContact C-N 3.32Å; V247-N249 PolarHBondContact O-N 3.43Å; V247-A250 PolarHBondContact O-N 3.39Å; V247-V251 HydrophobicContact CG1-CG2 4.43Å; V247-V251 WeakPolarHBondContact O-CG2 3.1Å; V247-V251 PolarHBondContact O-N 3.44Å |
| 248 | L | 91.1 | Very high | 87.8 | Confident | 38 Ų | 38 | 28.9 Ų | 28.9 | 20% | 0.199 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.9 | -45.5 | 176.9 | 179.6 | 67.7 | 0 | 0 | 0 | 111.5 | P244 V251 T252 F298 L302 | P244-L248 WeakPolarHBondContact O-CB 3.48Å; P244-L248 PolarHBondContact O-N 3.1Å; L248-V251 PolarHBondContact O-N 3.25Å; L248-T252 HydrophobicContact CD1-CG2 3.99Å; L248-T252 HydrophobicContact CG-CG2 4.34Å; L248-T252 WeakPolarHBondContact O-CB 3.29Å; L248-T252 WeakPolarHBondContact O-CG2 3.4Å; L248-T252 PolarHBondContact O-N 3.38Å; L248-T252 PolarHBondContact O-OG1 3.16Å; L248-F298 HydrophobicContact CD2-CB 3.42Å; L248-F298 VanDerWaalsContact CD2-CB 3.42Å; L248-F298 HydrophobicContact CD2-CG 4.33Å; L248-L302 HydrophobicContact CB-CD1 4.5Å; L248-L302 HydrophobicContact CD2-CD1 3.93Å |
| 249 | N | 90.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 178.3 | -171.1 | 65.1 | 0 | 0 | 0 | 111.6 | F115 Q194 S245 I246 V247 V251 T252 W253 | F115-N249 HydrophobicContact CD1-CB 4.49Å; F115-N249 HydrophobicContact CD2-CB 3.94Å; F115-N249 WeakPolarHBondContact CD2-ND2 3.5Å; F115-N249 WeakPolarHBondContact CD2-OD1 3.29Å; F115-N249 HydrophobicContact CE1-CB 4.26Å; F115-N249 HydrophobicContact CE2-CB 3.65Å; F115-N249 VanDerWaalsContact CE2-OD1 3.31Å; F115-N249 WeakPolarHBondContact CE2-OD1 3.36Å; F115-N249 HydrophobicContact CG-CB 4.35Å; F115-N249 HydrophobicContact CZ-CB 3.83Å; Q194-N249 PolarHBondContact NE2-ND2 2.96Å; Q194-N249 PolarHBondContact OE1-ND2 3.39Å; S245-N249 WeakPolarHBondContact O-CB 3.46Å; S245-N249 PolarHBondContact O-N 3.37Å; I246-N249 PolarHBondContact O-N 3.09Å; V247-N249 VanDerWaalsContact C-N 3.32Å; V247-N249 PolarHBondContact O-N 3.43Å; N249-V251 PolarHBondContact O-N 3.38Å; N249-T252 WeakPolarHBondContact CA-OG1 3.2Å; N249-T252 PolarHBondContact O-OG1 2.85Å; N249-T252 VanDerWaalsContact O-OG1 3.05Å; N249-W253 WeakPolarHBondContact O-CB 3.21Å; N249-W253 VanDerWaalsContact O-CD1 3.28Å; N249-W253 PolarHBondContact O-N 2.73Å; N249-W253 PolarHBondContact OD1-NE1 2.67Å |
| 250 | A | 89.6 | Confident | 87.3 | Confident | 6 Ų | 6 | 31 Ų | 31 | 5% | 0.05 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q194 L198 I246 V247 S254 | Q194-A250 HydrophobicContact CB-CB 4.42Å; L198-A250 HydrophobicContact CD2-CB 4.21Å; I246-A250 PolarHBondContact O-N 2.96Å; V247-A250 PolarHBondContact O-N 3.39Å; A250-S254 WeakPolarHBondContact O-CB 3.37Å; A250-S254 PolarHBondContact O-N 3.02Å; A250-S254 PolarHBondContact O-OG 2.86Å |
| 251 | V | 90.6 | Very high | 87 | Confident | 83 Ų | 83 | 32.6 Ų | 32.6 | 50% | 0.503 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.8 | -50.9 | 178.6 | 172.2 | 0 | 0 | 0 | 0 | 111 | V247 L248 N249 W253 S254 V255 | V247-V251 HydrophobicContact CG1-CG2 4.43Å; V247-V251 WeakPolarHBondContact O-CG2 3.1Å; V247-V251 PolarHBondContact O-N 3.44Å; L248-V251 PolarHBondContact O-N 3.25Å; N249-V251 PolarHBondContact O-N 3.38Å; V251-W253 PolarHBondContact O-N 2.73Å; V251-S254 WeakPolarHBondContact O-CB 3.28Å; V251-S254 PolarHBondContact O-N 2.75Å; V251-V255 WeakPolarHBondContact O-CG2 3.35Å; V251-V255 PolarHBondContact O-N 3.37Å |
| 252 | T | 90.1 | Very high | 86.7 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 8% | 0.08 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | -177.4 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | L248 N249 V255 I256 I291 Q295 | L248-T252 HydrophobicContact CD1-CG2 3.99Å; L248-T252 HydrophobicContact CG-CG2 4.34Å; L248-T252 WeakPolarHBondContact O-CB 3.29Å; L248-T252 WeakPolarHBondContact O-CG2 3.4Å; L248-T252 PolarHBondContact O-N 3.38Å; L248-T252 PolarHBondContact O-OG1 3.16Å; N249-T252 WeakPolarHBondContact CA-OG1 3.2Å; N249-T252 PolarHBondContact O-OG1 2.85Å; N249-T252 VanDerWaalsContact O-OG1 3.05Å; T252-V255 PolarHBondContact O-N 2.83Å; T252-I256 WeakPolarHBondContact O-CG1 3.34Å; T252-I256 PolarHBondContact O-N 3.29Å; T252-I291 HydrophobicContact CG2-CG2 4.07Å; T252-Q295 HydrophobicContact CG2-CG 4.02Å; T252-Q295 PolarHBondContact OG1-NE2 3.38Å |
| 253 | W | 88.4 | Confident | 85.8 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.7 | -33.5 | 174 | -84.3 | 98.6 | 0 | 0 | 0 | 113.4 | L108 F109 V112 T190 Q194 N249 V251 V255 I256 N257 | L108-W253 HydrophobicContact CD1-CH2 3.95Å; L108-W253 HydrophobicContact CD1-CZ2 3.61Å; L108-W253 HydrophobicContact CD2-CH2 3.7Å; L108-W253 HydrophobicContact CD2-CZ2 4.24Å; L108-W253 HydrophobicContact CG-CH2 3.55Å; L108-W253 HydrophobicContact CG-CZ2 3.63Å; F109-W253 HydrophobicContact CD1-CH2 4.47Å; V112-W253 HydrophobicContact CG2-CD2 3.84Å; V112-W253 HydrophobicContact CG2-CE3 4.43Å; V112-W253 HydrophobicContact CG2-CG 4.41Å; V112-W253 HydrophobicContact CG2-CH2 3.84Å; V112-W253 HydrophobicContact CG2-CZ2 3.17Å; V112-W253 HydrophobicContact CG2-CZ3 4.43Å; T190-W253 HydrophobicContact CG2-CZ3 4.41Å; Q194-W253 HydrophobicContact CG-CB 3.88Å; Q194-W253 HydrophobicContact CG-CG 4.46Å; N249-W253 WeakPolarHBondContact O-CB 3.21Å; N249-W253 VanDerWaalsContact O-CD1 3.28Å; N249-W253 PolarHBondContact O-N 2.73Å; N249-W253 PolarHBondContact OD1-NE1 2.67Å; V251-W253 PolarHBondContact O-N 2.73Å; W253-V255 VanDerWaalsContact C-N 3.31Å; W253-V255 PolarHBondContact O-N 3.07Å; W253-I256 HydrophobicContact CD2-CD1 4.31Å; W253-I256 HydrophobicContact CE3-CB 4.39Å; W253-I256 HydrophobicContact CE3-CD1 4.3Å; W253-I256 HydrophobicContact CE3-CG2 4.18Å; W253-I256 HydrophobicContact CZ3-CG2 4.2Å; W253-I256 PolarHBondContact O-N 2.5Å; W253-N257 VanDerWaalsContact O-CB 3.27Å; W253-N257 WeakPolarHBondContact O-CB 3.29Å; W253-N257 VanDerWaalsContact O-CG 3.23Å; W253-N257 PolarHBondContact O-N 2.97Å |
| 254 | S | 87.2 | Confident | 84.9 | Confident | 59 Ų | 59 | 34.2 Ų | 34.2 | 41% | 0.413 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 172.8 | -60 | 0 | 0 | 0 | 0 | 111.4 | A250 V251 N257 L258 | A250-S254 WeakPolarHBondContact O-CB 3.37Å; A250-S254 PolarHBondContact O-N 3.02Å; A250-S254 PolarHBondContact O-OG 2.86Å; V251-S254 WeakPolarHBondContact O-CB 3.28Å; V251-S254 PolarHBondContact O-N 2.75Å; S254-N257 PolarHBondContact O-N 3.44Å; S254-L258 WeakPolarHBondContact O-CB 3.48Å; S254-L258 PolarHBondContact O-N 2.51Å |
| 255 | V | 88 | Confident | 84.2 | Confident | 59 Ų | 59 | 39.5 Ų | 39.5 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 174.5 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | V251 T252 W253 N257 F259 F287 I291 | V251-V255 WeakPolarHBondContact O-CG2 3.35Å; V251-V255 PolarHBondContact O-N 3.37Å; T252-V255 PolarHBondContact O-N 2.83Å; W253-V255 VanDerWaalsContact C-N 3.31Å; W253-V255 PolarHBondContact O-N 3.07Å; V255-N257 VanDerWaalsContact C-N 3.32Å; V255-N257 PolarHBondContact O-N 3.19Å; V255-F259 WeakPolarHBondContact O-CB 3.48Å; V255-F259 PolarHBondContact O-N 3.43Å; V255-F287 HydrophobicContact CG1-CE1 3.81Å; V255-F287 HydrophobicContact CG1-CZ 4.01Å; V255-I291 HydrophobicContact CB-CD1 4.38Å; V255-I291 HydrophobicContact CG1-CD1 3.7Å |
| 256 | I | 84.1 | Confident | 83.1 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -46.5 | 176.1 | -71 | 167.6 | 0 | 0 | 0 | 110.8 | T252 W253 F259 T260 F288 I291 | T252-I256 WeakPolarHBondContact O-CG1 3.34Å; T252-I256 PolarHBondContact O-N 3.29Å; W253-I256 HydrophobicContact CD2-CD1 4.31Å; W253-I256 HydrophobicContact CE3-CB 4.39Å; W253-I256 HydrophobicContact CE3-CD1 4.3Å; W253-I256 HydrophobicContact CE3-CG2 4.18Å; W253-I256 HydrophobicContact CZ3-CG2 4.2Å; W253-I256 PolarHBondContact O-N 2.5Å; I256-F259 PolarHBondContact O-N 3.34Å; I256-T260 WeakPolarHBondContact O-CB 3.27Å; I256-T260 PolarHBondContact O-N 2.01Å; I256-T260 PolarHBondContact O-OG1 2.65Å; I256-F288 HydrophobicContact CD1-CD2 4.4Å; I256-F288 HydrophobicContact CD1-CE2 4.34Å; I256-F288 HydrophobicContact CG1-CD2 4.22Å; I256-F288 HydrophobicContact CG2-CD2 3.9Å; I256-F288 HydrophobicContact CG2-CE2 3.86Å; I256-I291 HydrophobicContact CD1-CB 4.34Å; I256-I291 HydrophobicContact CD1-CG2 3.74Å; I256-I291 HydrophobicContact CG1-CB 4.27Å; I256-I291 HydrophobicContact CG1-CD1 3.91Å; I256-I291 HydrophobicContact CG1-CG2 3.89Å |
| 257 | N | 85 | Confident | 81.8 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -47.2 | -176.6 | -78.3 | -9.8 | 0 | 0 | 0 | 112.3 | V187 T190 S191 W253 S254 V255 F259 T260 L261 | V187-N257 HydrophobicContact CG1-CB 3.92Å; T190-N257 PolarHBondContact OG1-ND2 3.09Å; T190-N257 PolarHBondContact OG1-OD1 3.09Å; S191-N257 PolarHBondContact N-ND2 2.82Å; S191-N257 PolarHBondContact OG-ND2 3.13Å; W253-N257 VanDerWaalsContact O-CB 3.27Å; W253-N257 WeakPolarHBondContact O-CB 3.29Å; W253-N257 VanDerWaalsContact O-CG 3.23Å; W253-N257 PolarHBondContact O-N 2.97Å; S254-N257 PolarHBondContact O-N 3.44Å; V255-N257 VanDerWaalsContact C-N 3.32Å; V255-N257 PolarHBondContact O-N 3.19Å; N257-F259 VanDerWaalsContact C-N 3.26Å; N257-F259 PolarHBondContact O-N 3.46Å; N257-T260 PolarHBondContact O-N 3.37Å; N257-L261 WeakPolarHBondContact O-CG 3.48Å; N257-L261 PolarHBondContact O-N 2.93Å |
| 258 | L | 83.1 | Confident | 80.5 | Confident | 117 Ų | 117 | 47.7 Ų | 47.7 | 61% | 0.613 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -56.7 | -46 | 174 | -179.2 | 67 | 0 | 0 | 0 | 110.6 | S254 T260 L261 V262 | S254-L258 WeakPolarHBondContact O-CB 3.48Å; S254-L258 PolarHBondContact O-N 2.51Å; L258-T260 PolarHBondContact O-N 3.45Å; L258-L261 PolarHBondContact O-N 3.38Å; L258-V262 WeakPolarHBondContact O-CG2 3.27Å; L258-V262 PolarHBondContact O-N 2.99Å |
| 259 | F | 80.4 | Confident | 79 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.2 | -33.8 | -177.9 | -169.9 | -106 | 0 | 0 | 0 | 113.1 | V255 I256 N257 S263 S284 F287 | V255-F259 WeakPolarHBondContact O-CB 3.48Å; V255-F259 PolarHBondContact O-N 3.43Å; I256-F259 PolarHBondContact O-N 3.34Å; N257-F259 VanDerWaalsContact C-N 3.26Å; N257-F259 PolarHBondContact O-N 3.46Å; F259-S263 VanDerWaalsContact O-CB 3.22Å; F259-S263 WeakPolarHBondContact O-CB 2.83Å; F259-S263 PolarHBondContact O-N 2.89Å; F259-S263 PolarHBondContact O-OG 3.33Å; F259-S284 WeakPolarHBondContact CE1-O 3.31Å; F259-F287 AromaticContact CD1-CD1 3.93Å; F259-F287 HydrophobicContact CD1-CD1 3.93Å; F259-F287 HydrophobicContact CD2-CD1 4.16Å; F259-F287 HydrophobicContact CD2-CE1 4.31Å; F259-F287 HydrophobicContact CE1-CB 4.3Å; F259-F287 AromaticContact CE1-CD1 3.93Å; F259-F287 HydrophobicContact CE1-CD1 3.93Å; F259-F287 HydrophobicContact CE2-CD1 4.21Å; F259-F287 HydrophobicContact CG-CD1 4.03Å; F259-F287 HydrophobicContact CG-CE1 4.27Å; F259-F287 HydrophobicContact CZ-CB 4.38Å; F259-F287 HydrophobicContact CZ-CD1 4.11Å |
| 260 | T | 77.5 | Confident | 77.3 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 173.5 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | L175 S183 V187 I256 N257 L258 S263 A264 | L175-T260 HydrophobicContact CD1-CG2 4.36Å; S183-T260 VanDerWaalsContact OG-CG2 3.31Å; S183-T260 WeakPolarHBondContact OG-CG2 3.31Å; V187-T260 HydrophobicContact CG2-CG2 3.8Å; I256-T260 WeakPolarHBondContact O-CB 3.27Å; I256-T260 PolarHBondContact O-N 2.01Å; I256-T260 PolarHBondContact O-OG1 2.65Å; N257-T260 PolarHBondContact O-N 3.37Å; L258-T260 PolarHBondContact O-N 3.45Å; T260-S263 PolarHBondContact O-N 2.98Å; T260-A264 WeakPolarHBondContact O-CB 3.07Å; T260-A264 PolarHBondContact O-N 3.31Å |
| 261 | L | 77.6 | Confident | 75.4 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.2 | -51 | 174.9 | -71.9 | 166.7 | 0 | 0 | 0 | 111.9 | V187 N257 L258 S263 A264 E265 | V187-L261 HydrophobicContact CG1-CD1 3.91Å; V187-L261 HydrophobicContact CG1-CD2 4.1Å; V187-L261 HydrophobicContact CG1-CG 3.89Å; N257-L261 WeakPolarHBondContact O-CG 3.48Å; N257-L261 PolarHBondContact O-N 2.93Å; L258-L261 PolarHBondContact O-N 3.38Å; L261-S263 PolarHBondContact O-N 3.38Å; L261-A264 PolarHBondContact O-N 3.48Å; L261-E265 PolarHBondContact O-N 3Å |
| 262 | V | 78.6 | Confident | 73.7 | Confident | 53 Ų | 53 | 63.3 Ų | 63.3 | 32% | 0.321 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 178.1 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | L258 K266 Y280 | L258-V262 WeakPolarHBondContact O-CG2 3.27Å; L258-V262 PolarHBondContact O-N 2.99Å; V262-K266 HydrophobicContact CG1-CD 4.49Å; V262-K266 PolarHBondContact O-N 3.42Å; V262-K266 VanDerWaalsContact O-N 3.13Å; V262-Y280 WeakPolarHBondContact CG1-OH 3.23Å |
| 263 | S | 71 | Confident | 72.1 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -55.4 | 174.3 | -64.1 | 0 | 0 | 0 | 0 | 110.3 | F259 T260 L261 E265 K266 I267 | F259-S263 VanDerWaalsContact O-CB 3.22Å; F259-S263 WeakPolarHBondContact O-CB 2.83Å; F259-S263 PolarHBondContact O-N 2.89Å; F259-S263 PolarHBondContact O-OG 3.33Å; T260-S263 PolarHBondContact O-N 2.98Å; L261-S263 PolarHBondContact O-N 3.38Å; S263-E265 VanDerWaalsContact C-N 3.25Å; S263-E265 PolarHBondContact O-N 3.02Å; S263-K266 CarbonylContact O-C 3.55Å; S263-K266 PolarHBondContact O-N 2.86Å; S263-I267 WeakPolarHBondContact O-CG1 3.38Å; S263-I267 PolarHBondContact O-N 3.23Å |
| 264 | A | 69.2 | Low | 70.8 | Confident | 26 Ų | 26 | 68 Ų | 68 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -52 | -43.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T260 L261 I267 H268 | T260-A264 WeakPolarHBondContact O-CB 3.07Å; T260-A264 PolarHBondContact O-N 3.31Å; L261-A264 PolarHBondContact O-N 3.48Å; A264-I267 PolarHBondContact O-N 3.43Å; A264-H268 WeakPolarHBondContact O-CB 2.93Å; A264-H268 PolarHBondContact O-CD2 3.18Å; A264-H268 PolarHBondContact O-N 2.68Å |
| 265 | E | 72.3 | Confident | 69.5 | Low | 149 Ų | 149 | 69.1 Ų | 69.1 | 70% | 0.696 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.9 | -45.5 | 176 | -171 | 179.5 | 180 | 0 | 0 | 112.1 | L261 S263 G269 | L261-E265 PolarHBondContact O-N 3Å; S263-E265 VanDerWaalsContact C-N 3.25Å; S263-E265 PolarHBondContact O-N 3.02Å; E265-G269 WeakPolarHBondContact O-CA 3.46Å; E265-G269 PolarHBondContact O-N 2.84Å |
| 266 | K | 69.4 | Low | 68.4 | Low | 82 Ų | 82 | 72 Ų | 72 | 36% | 0.357 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.9 | -33.3 | 177.6 | -74.8 | -178.2 | 173.5 | -170.6 | 0 | 113.9 | V262 S263 Y280 | V262-K266 HydrophobicContact CG1-CD 4.49Å; V262-K266 PolarHBondContact O-N 3.42Å; V262-K266 VanDerWaalsContact O-N 3.13Å; S263-K266 CarbonylContact O-C 3.55Å; S263-K266 PolarHBondContact O-N 2.86Å; K266-Y280 HydrophobicContact CB-CD1 4.46Å; K266-Y280 HydrophobicContact CB-CE1 4.22Å; K266-Y280 HydrophobicContact CD-CD1 3.97Å; K266-Y280 HydrophobicContact CD-CD2 4.34Å; K266-Y280 HydrophobicContact CD-CE1 3.54Å; K266-Y280 HydrophobicContact CD-CE2 3.96Å; K266-Y280 HydrophobicContact CD-CG 4.36Å; K266-Y280 HydrophobicContact CG-CE1 4.48Å |
| 267 | I | 62.4 | Low | 67.5 | Low | 40 Ų | 40 | 73.2 Ų | 73.2 | 21% | 0.205 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 178.8 | -36.5 | -141.3 | 0 | 0 | 0 | 110.3 | L176 S263 A264 F281 | L176-I267 HydrophobicContact CD1-CD1 4.32Å; L176-I267 HydrophobicContact CD2-CD1 3.5Å; L176-I267 VanDerWaalsContact CD2-CD1 3.5Å; L176-I267 HydrophobicContact CD2-CG2 4.15Å; L176-I267 HydrophobicContact CG-CD1 3.57Å; S263-I267 WeakPolarHBondContact O-CG1 3.38Å; S263-I267 PolarHBondContact O-N 3.23Å; A264-I267 PolarHBondContact O-N 3.43Å; I267-F281 HydrophobicContact CB-CE1 3.8Å; I267-F281 HydrophobicContact CB-CZ 4.01Å; I267-F281 HydrophobicContact CD1-CD1 3.65Å; I267-F281 HydrophobicContact CD1-CE1 3.36Å; I267-F281 HydrophobicContact CD1-CZ 4.23Å; I267-F281 HydrophobicContact CG1-CD1 4.14Å; I267-F281 HydrophobicContact CG1-CE1 3.37Å; I267-F281 HydrophobicContact CG1-CZ 4.11Å; I267-F281 HydrophobicContact CG2-CE1 3.83Å; I267-F281 HydrophobicContact CG2-CZ 3.68Å |
| 268 | H | 63.7 | Low | 66.6 | Low | 114 Ų | 114 | 75.8 Ų | 75.8 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -98.8 | -9.7 | -173 | -63.1 | -57.5 | 0 | 0 | 0 | 113.4 | A264 | A264-H268 WeakPolarHBondContact O-CB 2.93Å; A264-H268 PolarHBondContact O-CD2 3.18Å; A264-H268 PolarHBondContact O-N 2.68Å |
| 269 | G | 61 | Low | 65.8 | Low | 37 Ų | 37 | 73.3 Ų | 73.3 | 38% | 0.381 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -67 | 148.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E265 T271 | E265-G269 WeakPolarHBondContact O-CA 3.46Å; E265-G269 PolarHBondContact O-N 2.84Å; G269-T271 VanDerWaalsContact C-N 3.3Å; G269-T271 PolarHBondContact O-N 2.92Å |
| 270 | K | 53.4 | Low | 65.4 | Low | 213 Ų | 213 | 73.9 Ų | 73.9 | 93% | 0.926 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -82.5 | 8.9 | -173.6 | -71.4 | -174.5 | 176 | 180 | 0 | 114.9 | ||
| 271 | T | 50.6 | Low | 65 | Low | 111 Ų | 111 | 74.1 Ų | 74.1 | 68% | 0.681 | 41% | 0.407 | S | S | * | . | trans | -128.6 | 34.7 | -150.4 | 36 | 0 | 0 | 0 | 0 | 117 | G269 | G269-T271 VanDerWaalsContact C-N 3.3Å; G269-T271 PolarHBondContact O-N 2.92Å | ||
| 272 | H | 54.1 | Low | 64.7 | Low | 95 Ų | 95 | 70 Ų | 70 | 44% | 0.44 | 39% | 0.386 | S | S | . | . | trans | -137 | 144.4 | 176.9 | -70.6 | -65 | 0 | 0 | 0 | 114.9 | T277 | H272-T277 HydrophobicContact CB-CG2 3.21Š| ||
| 273 | S | 56.4 | Low | 64.6 | Low | 60 Ų | 60 | 69.1 Ų | 69.1 | 42% | 0.42 | 38% | 0.384 | S | S | . | . | trans | -59 | 141.5 | 168.1 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | S275 E276 T277 | S273-S275 PolarHBondContact O-N 3.47Å; S273-S275 VanDerWaalsContact O-N 3.12Å; S273-E276 PolarHBondContact O-N 2.82Å; S273-E276 WeakPolarHBondContact OG-CG 3.39Å; S273-T277 PolarHBondContact O-N 2.66Å | ||
| 274 | G | 60.8 | Low | 64.7 | Low | 56 Ų | 56 | 69 Ų | 69 | 58% | 0.577 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.2 | -31 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T277 V278 | G274-T277 PolarHBondContact O-OG1 3Å; G274-V278 VanDerWaalsContact O-CG2 3.25Å; G274-V278 WeakPolarHBondContact O-CG2 3.4Å; G274-V278 PolarHBondContact O-N 3.17Å |
| 275 | S | 60.9 | Low | 65.2 | Low | 82 Ų | 82 | 68.4 Ų | 68.4 | 57% | 0.573 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -77.2 | -39.5 | -178.4 | 57.8 | 0 | 0 | 0 | 0 | 114 | S273 V278 N279 | S273-S275 PolarHBondContact O-N 3.47Å; S273-S275 VanDerWaalsContact O-N 3.12Å; S275-V278 PolarHBondContact O-N 3.47Å; S275-N279 PolarHBondContact O-N 3.43Å; S275-N279 VanDerWaalsContact O-N 3.14Å |
| 276 | E | 65.3 | Low | 65.6 | Low | 120 Ų | 120 | 62.3 Ų | 62.3 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68.1 | -39.4 | 179.5 | -72.6 | -176.5 | 176.1 | 0 | 0 | 111.7 | S273 V278 N279 Y280 | S273-E276 PolarHBondContact O-N 2.82Å; S273-E276 WeakPolarHBondContact OG-CG 3.39Å; E276-V278 VanDerWaalsContact C-N 3.34Å; E276-V278 PolarHBondContact O-N 3.06Å; E276-N279 PolarHBondContact O-N 2.91Å; E276-Y280 WeakPolarHBondContact O-CB 3.35Å; E276-Y280 PolarHBondContact O-N 3.28Å |
| 277 | T | 65.3 | Low | 66.3 | Low | 29 Ų | 29 | 62.5 Ų | 62.5 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.8 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | H272 S273 G274 Y280 F281 | H272-T277 HydrophobicContact CB-CG2 3.21Å; S273-T277 PolarHBondContact O-N 2.66Å; G274-T277 PolarHBondContact O-OG1 3Å; T277-Y280 PolarHBondContact O-N 3.01Å; T277-F281 VanDerWaalsContact C-CD2 3.47Å; T277-F281 WeakPolarHBondContact O-CB 3.39Å; T277-F281 WeakPolarHBondContact O-CD2 3.33Å; T277-F281 WeakPolarHBondContact O-CE2 3.27Å; T277-F281 WeakPolarHBondContact O-CG 3.24Å; T277-F281 PolarHBondContact O-N 2.93Å |
| 278 | V | 64.6 | Low | 67.4 | Low | 61 Ų | 61 | 61.2 Ų | 61.2 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 178.9 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | G274 S275 E276 Y280 F281 I282 | G274-V278 VanDerWaalsContact O-CG2 3.25Å; G274-V278 WeakPolarHBondContact O-CG2 3.4Å; G274-V278 PolarHBondContact O-N 3.17Å; S275-V278 PolarHBondContact O-N 3.47Å; E276-V278 VanDerWaalsContact C-N 3.34Å; E276-V278 PolarHBondContact O-N 3.06Å; V278-Y280 VanDerWaalsContact C-N 3.32Å; V278-Y280 PolarHBondContact O-N 2.92Å; V278-F281 WeakPolarHBondContact O-CB 3.36Å; V278-F281 PolarHBondContact O-N 3.49Å; V278-I282 HydrophobicContact CG1-CD1 3.75Å; V278-I282 HydrophobicContact CG1-CG1 4.4Å; V278-I282 VanDerWaalsContact O-CG1 3.24Å; V278-I282 WeakPolarHBondContact O-CG1 3.44Å; V278-I282 PolarHBondContact O-N 2.96Å |
| 279 | N | 67.9 | Low | 68.5 | Low | 65 Ų | 65 | 55.8 Ų | 55.8 | 35% | 0.348 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 176.8 | -80.5 | -31.4 | 0 | 0 | 0 | 112.3 | S13 S275 E276 I282 A283 | S13-N279 PolarHBondContact OG-OD1 2.87Å; S275-N279 PolarHBondContact O-N 3.43Å; S275-N279 VanDerWaalsContact O-N 3.14Å; E276-N279 PolarHBondContact O-N 2.91Å; N279-I282 PolarHBondContact O-N 2.74Å; N279-A283 VanDerWaalsContact O-CB 3.31Å; N279-A283 WeakPolarHBondContact O-CB 3.34Å; N279-A283 PolarHBondContact O-N 3.47Å |
| 280 | Y | 71.5 | Confident | 69.8 | Low | 54 Ų | 54 | 57.1 Ų | 57.1 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -40.1 | 174.6 | -173.7 | -95.3 | 0 | 0 | 0 | 112 | V262 K266 E276 T277 V278 A283 S284 | V262-Y280 WeakPolarHBondContact CG1-OH 3.23Å; K266-Y280 HydrophobicContact CB-CD1 4.46Å; K266-Y280 HydrophobicContact CB-CE1 4.22Å; K266-Y280 HydrophobicContact CD-CD1 3.97Å; K266-Y280 HydrophobicContact CD-CD2 4.34Å; K266-Y280 HydrophobicContact CD-CE1 3.54Å; K266-Y280 HydrophobicContact CD-CE2 3.96Å; K266-Y280 HydrophobicContact CD-CG 4.36Å; K266-Y280 HydrophobicContact CG-CE1 4.48Å; E276-Y280 WeakPolarHBondContact O-CB 3.35Å; E276-Y280 PolarHBondContact O-N 3.28Å; T277-Y280 PolarHBondContact O-N 3.01Å; V278-Y280 VanDerWaalsContact C-N 3.32Å; V278-Y280 PolarHBondContact O-N 2.92Å; Y280-A283 PolarHBondContact O-N 3.18Å; Y280-S284 VanDerWaalsContact O-CB 3.24Å; Y280-S284 WeakPolarHBondContact O-CB 3.38Å; Y280-S284 PolarHBondContact O-N 3.03Å; Y280-S284 PolarHBondContact O-OG 2.87Å |
| 281 | F | 70 | Confident | 71.4 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.5 | -64.1 | -34.9 | 0 | 0 | 0 | 113.5 | L176 I267 T277 V278 S284 Q285 | L176-F281 HydrophobicContact CD1-CB 3.74Å; L176-F281 HydrophobicContact CD1-CD1 4.01Å; L176-F281 HydrophobicContact CD1-CG 3.94Å; L176-F281 HydrophobicContact CD2-CB 4.48Å; L176-F281 HydrophobicContact CD2-CD1 3.85Å; L176-F281 HydrophobicContact CD2-CD2 4.12Å; L176-F281 HydrophobicContact CD2-CE1 4.18Å; L176-F281 HydrophobicContact CD2-CE2 4.39Å; L176-F281 HydrophobicContact CD2-CG 3.87Å; L176-F281 HydrophobicContact CD2-CZ 4.43Å; L176-F281 HydrophobicContact CG-CD1 4.36Å; I267-F281 HydrophobicContact CB-CE1 3.8Å; I267-F281 HydrophobicContact CB-CZ 4.01Å; I267-F281 HydrophobicContact CD1-CD1 3.65Å; I267-F281 HydrophobicContact CD1-CE1 3.36Å; I267-F281 HydrophobicContact CD1-CZ 4.23Å; I267-F281 HydrophobicContact CG1-CD1 4.14Å; I267-F281 HydrophobicContact CG1-CE1 3.37Å; I267-F281 HydrophobicContact CG1-CZ 4.11Å; I267-F281 HydrophobicContact CG2-CE1 3.83Å; I267-F281 HydrophobicContact CG2-CZ 3.68Å; T277-F281 VanDerWaalsContact C-CD2 3.47Å; T277-F281 WeakPolarHBondContact O-CB 3.39Å; T277-F281 WeakPolarHBondContact O-CD2 3.33Å; T277-F281 WeakPolarHBondContact O-CE2 3.27Å; T277-F281 WeakPolarHBondContact O-CG 3.24Å; T277-F281 PolarHBondContact O-N 2.93Å; V278-F281 WeakPolarHBondContact O-CB 3.36Å; V278-F281 PolarHBondContact O-N 3.49Å; F281-S284 WeakPolarHBondContact CA-OG 3.3Å; F281-S284 PolarHBondContact O-N 3.42Å; F281-S284 PolarHBondContact O-OG 2.88Å; F281-Q285 WeakPolarHBondContact O-CB 3.45Å; F281-Q285 PolarHBondContact O-N 3.37Å |
| 282 | I | 71.1 | Confident | 73.1 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -55.7 | 175.4 | -69.8 | 165.3 | 0 | 0 | 0 | 108.2 | L10 I15 F16 V278 N279 S284 Q285 Y286 | L10-I282 HydrophobicContact CD1-CD1 3.56Å; L10-I282 HydrophobicContact CD1-CG1 3.83Å; L10-I282 HydrophobicContact CG-CD1 3.64Å; L10-I282 HydrophobicContact CG-CG1 4.31Å; I15-I282 HydrophobicContact CG2-CG2 4.14Å; F16-I282 HydrophobicContact CB-CG2 4.36Å; V278-I282 HydrophobicContact CG1-CD1 3.75Å; V278-I282 HydrophobicContact CG1-CG1 4.4Å; V278-I282 VanDerWaalsContact O-CG1 3.24Å; V278-I282 WeakPolarHBondContact O-CG1 3.44Å; V278-I282 PolarHBondContact O-N 2.96Å; N279-I282 PolarHBondContact O-N 2.74Å; I282-S284 PolarHBondContact O-N 3.4Å; I282-S284 VanDerWaalsContact O-N 3.16Å; I282-Q285 PolarHBondContact O-N 3.42Å; I282-Q285 VanDerWaalsContact O-N 3.14Å; I282-Y286 HydrophobicContact CG2-CD2 3.69Å; I282-Y286 HydrophobicContact CG2-CE2 3.6Å; I282-Y286 WeakPolarHBondContact O-CD2 3.19Å; I282-Y286 PolarHBondContact O-N 3.35Å |
| 283 | A | 75.5 | Confident | 74.9 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -53.3 | -39.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I15 N279 Y280 Y286 F287 | I15-A283 HydrophobicContact CG2-CB 4.06Å; N279-A283 VanDerWaalsContact O-CB 3.31Å; N279-A283 WeakPolarHBondContact O-CB 3.34Å; N279-A283 PolarHBondContact O-N 3.47Å; Y280-A283 PolarHBondContact O-N 3.18Å; A283-Y286 PolarHBondContact O-N 2.92Å; A283-F287 VanDerWaalsContact O-CB 3.27Å; A283-F287 WeakPolarHBondContact O-CB 3.35Å; A283-F287 PolarHBondContact O-N 3.36Å |
| 284 | S | 74.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -44.4 | -179.4 | 78.4 | 0 | 0 | 0 | 0 | 113.4 | F259 Y280 F281 I282 F287 F288 | F259-S284 WeakPolarHBondContact CE1-O 3.31Å; Y280-S284 VanDerWaalsContact O-CB 3.24Å; Y280-S284 WeakPolarHBondContact O-CB 3.38Å; Y280-S284 PolarHBondContact O-N 3.03Å; Y280-S284 PolarHBondContact O-OG 2.87Å; F281-S284 WeakPolarHBondContact CA-OG 3.3Å; F281-S284 PolarHBondContact O-N 3.42Å; F281-S284 PolarHBondContact O-OG 2.88Å; I282-S284 PolarHBondContact O-N 3.4Å; I282-S284 VanDerWaalsContact O-N 3.16Å; S284-F287 PolarHBondContact O-N 3.22Å; S284-F288 WeakPolarHBondContact O-CB 3.43Å; S284-F288 PolarHBondContact O-N 3.31Å |
| 285 | Q | 78.7 | Confident | 77.8 | Confident | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.065 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.4 | -168 | -174.7 | 1 | 0 | 0 | 111.8 | N173 F281 I282 F288 Y289 | N173-Q285 VanDerWaalsContact CG-CD 3.45Å; N173-Q285 VanDerWaalsContact ND2-CD 3.33Å; N173-Q285 PolarHBondContact ND2-OE1 3.5Å; F281-Q285 WeakPolarHBondContact O-CB 3.45Å; F281-Q285 PolarHBondContact O-N 3.37Å; I282-Q285 PolarHBondContact O-N 3.42Å; I282-Q285 VanDerWaalsContact O-N 3.14Å; Q285-F288 PolarHBondContact O-N 2.91Å; Q285-Y289 HydrophobicContact CG-CD2 4.03Å; Q285-Y289 HydrophobicContact CG-CE2 3.49Å; Q285-Y289 VanDerWaalsContact CG-CE2 3.49Å; Q285-Y289 PolarHBondContact NE2-OH 3.02Å; Q285-Y289 VanDerWaalsContact NE2-OH 3.07Å; Q285-Y289 WeakPolarHBondContact O-CD2 3.46Å; Q285-Y289 PolarHBondContact O-N 2.96Å |
| 286 | Y | 81.6 | Confident | 79.2 | Confident | 22 Ų | 22 | 31 Ų | 31 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 177.8 | -79.3 | -76.6 | 0 | 0 | 0 | 112.4 | F16 E20 K23 I282 A283 F288 Y289 L290 | F16-Y286 HydrophobicContact CD2-CE2 4.02Å; F16-Y286 AromaticContact CD2-CZ 3.89Å; F16-Y286 WeakPolarHBondContact CD2-OH 3.43Å; F16-Y286 WeakPolarHBondContact CE2-OH 3.44Å; E20-Y286 VanDerWaalsContact CD-OH 3.3Å; E20-Y286 HydrophobicContact CG-CE1 3.99Å; E20-Y286 VanDerWaalsContact CG-OH 3.3Å; E20-Y286 WeakPolarHBondContact CG-OH 3.41Å; E20-Y286 WeakPolarHBondContact OE1-CE1 3.34Å; E20-Y286 PolarHBondContact OE1-OH 2.94Å; K23-Y286 HydrophobicContact CD-CD1 4Å; K23-Y286 HydrophobicContact CD-CE1 3.76Å; K23-Y286 HydrophobicContact CG-CD1 4.44Å; I282-Y286 HydrophobicContact CG2-CD2 3.69Å; I282-Y286 HydrophobicContact CG2-CE2 3.6Å; I282-Y286 WeakPolarHBondContact O-CD2 3.19Å; I282-Y286 PolarHBondContact O-N 3.35Å; A283-Y286 PolarHBondContact O-N 2.92Å; Y286-F288 VanDerWaalsContact C-N 3.34Å; Y286-F288 PolarHBondContact O-N 3.27Å; Y286-Y289 PolarHBondContact O-N 2.88Å; Y286-L290 VanDerWaalsContact O-CB 3.31Å; Y286-L290 WeakPolarHBondContact O-CB 3.25Å; Y286-L290 PolarHBondContact O-N 2.6Å |
| 287 | F | 83.6 | Confident | 80.5 | Confident | 86 Ų | 86 | 27 Ų | 27 | 38% | 0.377 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62 | -43.7 | 176.8 | -173.5 | -111.1 | 0 | 0 | 0 | 111.5 | V255 F259 A283 S284 L290 I291 | V255-F287 HydrophobicContact CG1-CE1 3.81Å; V255-F287 HydrophobicContact CG1-CZ 4.01Å; F259-F287 AromaticContact CD1-CD1 3.93Å; F259-F287 HydrophobicContact CD1-CD1 3.93Å; F259-F287 HydrophobicContact CD2-CD1 4.16Å; F259-F287 HydrophobicContact CD2-CE1 4.31Å; F259-F287 HydrophobicContact CE1-CB 4.3Å; F259-F287 AromaticContact CE1-CD1 3.93Å; F259-F287 HydrophobicContact CE1-CD1 3.93Å; F259-F287 HydrophobicContact CE2-CD1 4.21Å; F259-F287 HydrophobicContact CG-CD1 4.03Å; F259-F287 HydrophobicContact CG-CE1 4.27Å; F259-F287 HydrophobicContact CZ-CB 4.38Å; F259-F287 HydrophobicContact CZ-CD1 4.11Å; A283-F287 VanDerWaalsContact O-CB 3.27Å; A283-F287 WeakPolarHBondContact O-CB 3.35Å; A283-F287 PolarHBondContact O-N 3.36Å; S284-F287 PolarHBondContact O-N 3.22Å; F287-L290 PolarHBondContact O-N 2.55Å; F287-I291 HydrophobicContact CD1-CD1 3.82Å; F287-I291 HydrophobicContact CE1-CD1 3.47Å; F287-I291 VanDerWaalsContact CE1-CD1 3.47Å; F287-I291 HydrophobicContact CE1-CG1 4.39Å; F287-I291 HydrophobicContact CZ-CD1 3.89Å; F287-I291 HydrophobicContact CZ-CG1 4.42Å; F287-I291 WeakPolarHBondContact O-CG1 3.3Å; F287-I291 PolarHBondContact O-N 3.49Å |
| 288 | F | 85.6 | Confident | 81.8 | Confident | 13 Ų | 13 | 30.3 Ų | 30.3 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.1 | -49.8 | 175.3 | 170 | -100.8 | 0 | 0 | 0 | 112.4 | F104 L108 L175 I256 S284 Q285 Y286 L290 I291 V292 | F104-F288 AromaticContact CE1-CE1 3.59Å; F104-F288 HydrophobicContact CE1-CE1 3.59Å; F104-F288 AromaticContact CE1-CZ 4Å; F104-F288 HydrophobicContact CE1-CZ 4Å; F104-F288 AromaticContact CZ-CE1 3.87Å; F104-F288 HydrophobicContact CZ-CE1 3.87Å; F104-F288 HydrophobicContact CZ-CZ 4.38Å; L108-F288 HydrophobicContact CD2-CE2 4.1Å; L108-F288 HydrophobicContact CD2-CZ 3.55Å; L175-F288 HydrophobicContact CD1-CD2 4.32Å; L175-F288 HydrophobicContact CD1-CE2 4.4Å; I256-F288 HydrophobicContact CD1-CD2 4.4Å; I256-F288 HydrophobicContact CD1-CE2 4.34Å; I256-F288 HydrophobicContact CG1-CD2 4.22Å; I256-F288 HydrophobicContact CG2-CD2 3.9Å; I256-F288 HydrophobicContact CG2-CE2 3.86Å; S284-F288 WeakPolarHBondContact O-CB 3.43Å; S284-F288 PolarHBondContact O-N 3.31Å; Q285-F288 PolarHBondContact O-N 2.91Å; Y286-F288 VanDerWaalsContact C-N 3.34Å; Y286-F288 PolarHBondContact O-N 3.27Å; F288-L290 VanDerWaalsContact C-N 3.29Å; F288-L290 PolarHBondContact O-N 2.92Å; F288-I291 PolarHBondContact O-N 3.01Å; F288-V292 HydrophobicContact CE1-CG2 4.45Å; F288-V292 HydrophobicContact CE2-CG2 4.39Å; F288-V292 HydrophobicContact CZ-CG2 4.26Å; F288-V292 WeakPolarHBondContact O-CG2 3.28Å; F288-V292 PolarHBondContact O-N 3.1Å; F288-V292 VanDerWaalsContact O-N 3.13Å |
| 289 | Y | 86.5 | Confident | 83 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.9 | -69 | -53.5 | 0 | 0 | 0 | 112.6 | K23 V69 K72 F104 E174 Q285 Y286 I291 V292 L293 | K23-Y289 HydrophobicContact CD-CD2 4.48Å; V69-Y289 HydrophobicContact CG2-CD1 3.93Å; V69-Y289 HydrophobicContact CG2-CE1 4.31Å; K72-Y289 PolarHBondContact NZ-OH 3.21Å; F104-Y289 HydrophobicContact CE1-CE1 4.25Å; F104-Y289 HydrophobicContact CE2-CD1 4.43Å; F104-Y289 HydrophobicContact CE2-CE1 4.27Å; F104-Y289 AromaticContact CZ-CD1 4Å; F104-Y289 HydrophobicContact CZ-CD1 4Å; F104-Y289 AromaticContact CZ-CE1 3.86Å; F104-Y289 HydrophobicContact CZ-CE1 3.86Å; E174-Y289 PolarHBondContact OE1-OH 3.43Å; E174-Y289 PolarHBondContact OE2-OH 3.1Å; Q285-Y289 HydrophobicContact CG-CD2 4.03Å; Q285-Y289 HydrophobicContact CG-CE2 3.49Å; Q285-Y289 VanDerWaalsContact CG-CE2 3.49Å; Q285-Y289 PolarHBondContact NE2-OH 3.02Å; Q285-Y289 VanDerWaalsContact NE2-OH 3.07Å; Q285-Y289 WeakPolarHBondContact O-CD2 3.46Å; Q285-Y289 PolarHBondContact O-N 2.96Å; Y286-Y289 PolarHBondContact O-N 2.88Å; Y289-I291 VanDerWaalsContact C-N 3.3Å; Y289-I291 PolarHBondContact O-N 3.36Å; Y289-V292 PolarHBondContact O-N 3.04Å; Y289-L293 WeakPolarHBondContact O-CB 3.22Å; Y289-L293 VanDerWaalsContact O-CG 3.28Å; Y289-L293 WeakPolarHBondContact O-CG 3.48Å; Y289-L293 PolarHBondContact O-N 2.79Å |
| 290 | L | 87.6 | Confident | 83.9 | Confident | 65 Ų | 65 | 24.3 Ų | 24.3 | 34% | 0.34 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 179.1 | -172.7 | 137.5 | 0 | 0 | 0 | 110.9 | L22 Y286 F287 F288 L293 V294 | L22-L290 HydrophobicContact CB-CD1 4.48Å; L22-L290 HydrophobicContact CD1-CD1 4.01Å; Y286-L290 VanDerWaalsContact O-CB 3.31Å; Y286-L290 WeakPolarHBondContact O-CB 3.25Å; Y286-L290 PolarHBondContact O-N 2.6Å; F287-L290 PolarHBondContact O-N 2.55Å; F288-L290 VanDerWaalsContact C-N 3.29Å; F288-L290 PolarHBondContact O-N 2.92Å; L290-L293 PolarHBondContact O-N 2.97Å; L290-V294 HydrophobicContact CD2-CG2 4.03Å; L290-V294 HydrophobicContact CG-CG2 4.47Å; L290-V294 VanDerWaalsContact O-CB 3.27Å; L290-V294 WeakPolarHBondContact O-CB 3.32Å; L290-V294 WeakPolarHBondContact O-CG2 3.37Å; L290-V294 PolarHBondContact O-N 2.85Å |
| 291 | I | 87.2 | Confident | 84.8 | Confident | 14 Ų | 14 | 24.8 Ų | 24.8 | 7% | 0.072 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 174.1 | -63.3 | 166.6 | 0 | 0 | 0 | 111.3 | T252 V255 I256 F287 F288 Y289 L293 V294 Q295 | T252-I291 HydrophobicContact CG2-CG2 4.07Å; V255-I291 HydrophobicContact CB-CD1 4.38Å; V255-I291 HydrophobicContact CG1-CD1 3.7Å; I256-I291 HydrophobicContact CD1-CB 4.34Å; I256-I291 HydrophobicContact CD1-CG2 3.74Å; I256-I291 HydrophobicContact CG1-CB 4.27Å; I256-I291 HydrophobicContact CG1-CD1 3.91Å; I256-I291 HydrophobicContact CG1-CG2 3.89Å; F287-I291 HydrophobicContact CD1-CD1 3.82Å; F287-I291 HydrophobicContact CE1-CD1 3.47Å; F287-I291 VanDerWaalsContact CE1-CD1 3.47Å; F287-I291 HydrophobicContact CE1-CG1 4.39Å; F287-I291 HydrophobicContact CZ-CD1 3.89Å; F287-I291 HydrophobicContact CZ-CG1 4.42Å; F287-I291 WeakPolarHBondContact O-CG1 3.3Å; F287-I291 PolarHBondContact O-N 3.49Å; F288-I291 PolarHBondContact O-N 3.01Å; Y289-I291 VanDerWaalsContact C-N 3.3Å; Y289-I291 PolarHBondContact O-N 3.36Å; I291-L293 VanDerWaalsContact C-N 3.32Å; I291-L293 PolarHBondContact O-N 2.95Å; I291-V294 WeakPolarHBondContact O-CB 3.32Å; I291-V294 PolarHBondContact O-N 3.08Å; I291-Q295 WeakPolarHBondContact O-CG 3.24Å; I291-Q295 PolarHBondContact O-N 3.05Å |
| 292 | V | 87.4 | Confident | 85.5 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | N65 F104 L108 F288 Y289 Q295 G296 | N65-V292 HydrophobicContact CB-CG1 4.21Å; F104-V292 HydrophobicContact CZ-CG1 4.49Å; L108-V292 HydrophobicContact CD1-CG1 4.33Å; L108-V292 HydrophobicContact CD1-CG2 3.8Å; F288-V292 HydrophobicContact CE1-CG2 4.45Å; F288-V292 HydrophobicContact CE2-CG2 4.39Å; F288-V292 HydrophobicContact CZ-CG2 4.26Å; F288-V292 WeakPolarHBondContact O-CG2 3.28Å; F288-V292 PolarHBondContact O-N 3.1Å; F288-V292 VanDerWaalsContact O-N 3.13Å; Y289-V292 PolarHBondContact O-N 3.04Å; V292-Q295 WeakPolarHBondContact O-CB 3.46Å; V292-Q295 PolarHBondContact O-N 3.25Å; V292-G296 PolarHBondContact O-N 3.39Å |
| 293 | L | 90.2 | Very high | 86 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.4 | -38.3 | 177.1 | -67.7 | -180 | 0 | 0 | 0 | 112.3 | K23 A26 A27 V69 Y289 L290 I291 G296 I297 | K23-L293 HydrophobicContact CG-CD1 4.4Å; A26-L293 HydrophobicContact CB-CB 4.15Å; A26-L293 HydrophobicContact CB-CD1 3.81Å; A27-L293 HydrophobicContact CB-CD1 3.96Å; A27-L293 HydrophobicContact CB-CD2 3.77Å; V69-L293 HydrophobicContact CG1-CD1 4.18Å; Y289-L293 WeakPolarHBondContact O-CB 3.22Å; Y289-L293 VanDerWaalsContact O-CG 3.28Å; Y289-L293 WeakPolarHBondContact O-CG 3.48Å; Y289-L293 PolarHBondContact O-N 2.79Å; L290-L293 PolarHBondContact O-N 2.97Å; I291-L293 VanDerWaalsContact C-N 3.32Å; I291-L293 PolarHBondContact O-N 2.95Å; L293-G296 CarbonylContact O-C 3.59Å; L293-G296 WeakPolarHBondContact O-CA 3.36Å; L293-G296 PolarHBondContact O-N 3.33Å; L293-G296 VanDerWaalsContact O-N 3.16Å; L293-I297 WeakPolarHBondContact O-CG1 3.41Å; L293-I297 PolarHBondContact O-N 3.5Å |
| 294 | V | 89.7 | Confident | 86.2 | Confident | 45 Ų | 45 | 25.5 Ų | 25.5 | 27% | 0.273 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -59 | -48 | 172.4 | 160.3 | 0 | 0 | 0 | 0 | 109.9 | L290 I291 G296 I297 F298 | L290-V294 HydrophobicContact CD2-CG2 4.03Å; L290-V294 HydrophobicContact CG-CG2 4.47Å; L290-V294 VanDerWaalsContact O-CB 3.27Å; L290-V294 WeakPolarHBondContact O-CB 3.32Å; L290-V294 WeakPolarHBondContact O-CG2 3.37Å; L290-V294 PolarHBondContact O-N 2.85Å; I291-V294 WeakPolarHBondContact O-CB 3.32Å; I291-V294 PolarHBondContact O-N 3.08Å; V294-G296 VanDerWaalsContact C-N 3.3Å; V294-G296 PolarHBondContact O-N 3.39Å; V294-I297 PolarHBondContact O-N 3.25Å; V294-I297 VanDerWaalsContact O-N 3.11Å; V294-F298 HydrophobicContact CB-CD2 4.42Å; V294-F298 HydrophobicContact CG1-CD2 3.52Å; V294-F298 HydrophobicContact CG1-CE2 3.73Å; V294-F298 VanDerWaalsContact O-CD2 3.27Å; V294-F298 WeakPolarHBondContact O-CD2 3.17Å; V294-F298 PolarHBondContact O-N 2.81Å |
| 295 | Q | 90.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55 | -48 | 172.1 | -74.1 | 176.2 | -20.3 | 0 | 0 | 111.2 | T252 I291 V292 I297 F298 H299 | T252-Q295 HydrophobicContact CG2-CG 4.02Å; T252-Q295 PolarHBondContact OG1-NE2 3.38Å; I291-Q295 WeakPolarHBondContact O-CG 3.24Å; I291-Q295 PolarHBondContact O-N 3.05Å; V292-Q295 WeakPolarHBondContact O-CB 3.46Å; V292-Q295 PolarHBondContact O-N 3.25Å; Q295-I297 PolarHBondContact O-N 2.9Å; Q295-F298 PolarHBondContact O-N 3.29Å; Q295-H299 WeakPolarHBondContact O-CB 3.16Å; Q295-H299 PolarHBondContact O-CD2 2.89Å; Q295-H299 VanDerWaalsContact O-CG 3.31Å; Q295-H299 PolarHBondContact O-N 3.22Å |
| 296 | G | 89.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -25.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S30 N34 V292 L293 V294 P300 | S30-G296 VanDerWaalsContact OG-CA 3.3Å; S30-G296 WeakPolarHBondContact OG-CA 3.45Å; N34-G296 PolarHBondContact ND2-O 3Å; V292-G296 PolarHBondContact O-N 3.39Å; L293-G296 CarbonylContact O-C 3.59Å; L293-G296 WeakPolarHBondContact O-CA 3.36Å; L293-G296 PolarHBondContact O-N 3.33Å; L293-G296 VanDerWaalsContact O-N 3.16Å; V294-G296 VanDerWaalsContact C-N 3.3Å; V294-G296 PolarHBondContact O-N 3.39Å; G296-P300 WeakPolarHBondContact O-CD 3.32Å; G296-P300 WeakPolarHBondContact O-CG 3.3Å |
| 297 | I | 92.3 | Very high | 85 | Confident | 36 Ų | 36 | 34.1 Ų | 34.1 | 19% | 0.185 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -87 | -47.7 | 174.9 | -68.7 | 165.7 | 0 | 0 | 0 | 111.3 | A26 L33 L293 V294 Q295 P300 L301 | A26-I297 HydrophobicContact CB-CD1 4.26Å; L33-I297 HydrophobicContact CD1-CB 4.23Å; L33-I297 HydrophobicContact CD1-CG1 4.29Å; L33-I297 HydrophobicContact CD1-CG2 3.79Å; L293-I297 WeakPolarHBondContact O-CG1 3.41Å; L293-I297 PolarHBondContact O-N 3.5Å; V294-I297 PolarHBondContact O-N 3.25Å; V294-I297 VanDerWaalsContact O-N 3.11Å; Q295-I297 PolarHBondContact O-N 2.9Å; I297-P300 WeakPolarHBondContact O-CD 3.47Å; I297-P300 VanDerWaalsContact O-CG 3.28Å; I297-P300 WeakPolarHBondContact O-CG 3.35Å; I297-L301 HydrophobicContact CG2-CD1 3.83Å; I297-L301 VanDerWaalsContact O-CG 3.28Å; I297-L301 WeakPolarHBondContact O-CG 3.1Å; I297-L301 PolarHBondContact O-N 2.81Å |
| 298 | F | 92.1 | Very high | 83.6 | Confident | 99 Ų | 99 | 32.6 Ų | 32.6 | 43% | 0.434 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -75.4 | -36.2 | -172.3 | -81.6 | -77.3 | 0 | 0 | 0 | 113.2 | L248 V294 Q295 L301 L302 | L248-F298 HydrophobicContact CD2-CB 3.42Å; L248-F298 VanDerWaalsContact CD2-CB 3.42Å; L248-F298 HydrophobicContact CD2-CG 4.33Å; V294-F298 HydrophobicContact CB-CD2 4.42Å; V294-F298 HydrophobicContact CG1-CD2 3.52Å; V294-F298 HydrophobicContact CG1-CE2 3.73Å; V294-F298 VanDerWaalsContact O-CD2 3.27Å; V294-F298 WeakPolarHBondContact O-CD2 3.17Å; V294-F298 PolarHBondContact O-N 2.81Å; Q295-F298 PolarHBondContact O-N 3.29Å; F298-L301 PolarHBondContact O-N 3.48Å; F298-L302 WeakPolarHBondContact O-CB 3.06Å; F298-L302 VanDerWaalsContact O-CG 3.25Å; F298-L302 WeakPolarHBondContact O-CG 3.36Å; F298-L302 PolarHBondContact O-N 2.85Å |
| 299 | H | 90.3 | Very high | 82 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55 | -54.8 | 176.3 | -73.3 | -49 | 0 | 0 | 0 | 112.7 | F115 S245 Q295 L301 L302 F303 | F115-H299 AromaticContact CE2-CE1 3.99Å; F115-H299 AromaticContact CZ-CE1 3.53Å; S245-H299 PolarHBondContact O-CE1 3.06Å; S245-H299 PolarHBondContact OG-CE1 3.26Å; S245-H299 VanDerWaalsContact OG-CE1 3.28Å; S245-H299 PolarHBondContact OG-ND1 3.22Å; Q295-H299 WeakPolarHBondContact O-CB 3.16Å; Q295-H299 PolarHBondContact O-CD2 2.89Å; Q295-H299 VanDerWaalsContact O-CG 3.31Å; Q295-H299 PolarHBondContact O-N 3.22Å; H299-L301 VanDerWaalsContact C-N 3.34Å; H299-L301 PolarHBondContact O-N 3.38Å; H299-L302 PolarHBondContact O-N 2.99Å; H299-F303 HydrophobicContact CB-CD2 4.46Å; H299-F303 HydrophobicContact CB-CE2 4.05Å; H299-F303 WeakPolarHBondContact O-CD2 3.07Å; H299-F303 WeakPolarHBondContact O-CG 3.4Å; H299-F303 PolarHBondContact O-N 2.97Å |
| 300 | P | 87.7 | Confident | 80 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -38.2 | 177.6 | 23.6 | -32.4 | 0 | 0 | 0 | 113 | L33 L37 G296 I297 L302 F303 I304 | L33-P300 HydrophobicContact CB-CB 4.18Å; L33-P300 HydrophobicContact CB-CG 3.69Å; L37-P300 HydrophobicContact CB-CB 3.85Å; L37-P300 HydrophobicContact CD2-CB 3.92Å; L37-P300 HydrophobicContact CG-CB 4.36Å; G296-P300 WeakPolarHBondContact O-CD 3.32Å; G296-P300 WeakPolarHBondContact O-CG 3.3Å; I297-P300 WeakPolarHBondContact O-CD 3.47Å; I297-P300 VanDerWaalsContact O-CG 3.28Å; I297-P300 WeakPolarHBondContact O-CG 3.35Å; P300-L302 PolarHBondContact O-N 3.3Å; P300-F303 PolarHBondContact O-N 3.27Å; P300-I304 VanDerWaalsContact O-CB 3.3Å; P300-I304 WeakPolarHBondContact O-CB 3.15Å; P300-I304 WeakPolarHBondContact O-CD1 3.41Å; P300-I304 WeakPolarHBondContact O-CG1 3.42Å; P300-I304 PolarHBondContact O-N 2.69Å |
| 301 | L | 88.5 | Confident | 77.6 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 33% | 0.33 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 175.6 | -69.7 | 173.7 | 0 | 0 | 0 | 112.2 | L33 I297 F298 H299 I304 W305 | L33-L301 HydrophobicContact CD1-CG 4.34Å; L33-L301 HydrophobicContact CD2-CD2 4.19Å; I297-L301 HydrophobicContact CG2-CD1 3.83Å; I297-L301 VanDerWaalsContact O-CG 3.28Å; I297-L301 WeakPolarHBondContact O-CG 3.1Å; I297-L301 PolarHBondContact O-N 2.81Å; F298-L301 PolarHBondContact O-N 3.48Å; H299-L301 VanDerWaalsContact C-N 3.34Å; H299-L301 PolarHBondContact O-N 3.38Å; L301-I304 PolarHBondContact O-N 3.38Å; L301-W305 VanDerWaalsContact O-CB 3.27Å; L301-W305 WeakPolarHBondContact O-CB 2.82Å; L301-W305 PolarHBondContact O-N 3.41Å |
| 302 | L | 86.3 | Confident | 75.4 | Confident | 39 Ų | 39 | 41.5 Ų | 41.5 | 20% | 0.204 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 177 | -70.9 | 171.6 | 0 | 0 | 0 | 111.4 | P244 L248 F298 H299 P300 W305 H306 | P244-L302 HydrophobicContact CB-CD1 4.07Å; P244-L302 HydrophobicContact CB-CD2 3.93Å; P244-L302 HydrophobicContact CB-CG 4.47Å; L248-L302 HydrophobicContact CB-CD1 4.5Å; L248-L302 HydrophobicContact CD2-CD1 3.93Å; F298-L302 WeakPolarHBondContact O-CB 3.06Å; F298-L302 VanDerWaalsContact O-CG 3.25Å; F298-L302 WeakPolarHBondContact O-CG 3.36Å; F298-L302 PolarHBondContact O-N 2.85Å; H299-L302 PolarHBondContact O-N 2.99Å; P300-L302 PolarHBondContact O-N 3.3Å; L302-W305 PolarHBondContact O-N 3.45Å; L302-H306 WeakPolarHBondContact O-CB 3.31Å; L302-H306 PolarHBondContact O-CD2 3.35Å; L302-H306 PolarHBondContact O-N 3.27Å |
| 303 | F | 81.5 | Confident | 72.9 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 178 | -64.5 | -49.4 | 0 | 0 | 0 | 112.3 | L37 L55 L58 M241 L242 S245 H299 P300 W305 H306 L307 | L37-F303 HydrophobicContact CD1-CB 3.84Å; L37-F303 HydrophobicContact CD2-CD2 3.9Å; L55-F303 HydrophobicContact CD2-CD1 3.99Å; L55-F303 HydrophobicContact CD2-CD2 4Å; L55-F303 HydrophobicContact CD2-CE1 3.5Å; L55-F303 VanDerWaalsContact CD2-CE1 3.5Å; L55-F303 HydrophobicContact CD2-CE2 3.51Å; L55-F303 HydrophobicContact CD2-CG 4.23Å; L55-F303 HydrophobicContact CD2-CZ 3.22Å; L58-F303 HydrophobicContact CD2-CE2 3.83Å; L58-F303 HydrophobicContact CD2-CZ 4.14Å; M241-F303 HydrophobicContact CE-CB 4.16Å; M241-F303 HydrophobicContact CE-CD1 3.81Å; M241-F303 HydrophobicContact CE-CG 4.36Å; L242-F303 HydrophobicContact CD2-CE1 3.82Å; L242-F303 HydrophobicContact CD2-CZ 4.46Å; S245-F303 VanDerWaalsContact CB-CZ 3.49Å; S245-F303 WeakPolarHBondContact OG-CZ 3.49Å; H299-F303 HydrophobicContact CB-CD2 4.46Å; H299-F303 HydrophobicContact CB-CE2 4.05Å; H299-F303 WeakPolarHBondContact O-CD2 3.07Å; H299-F303 WeakPolarHBondContact O-CG 3.4Å; H299-F303 PolarHBondContact O-N 2.97Å; P300-F303 PolarHBondContact O-N 3.27Å; F303-W305 VanDerWaalsContact C-N 3.27Å; F303-W305 PolarHBondContact O-N 2.96Å; F303-H306 CarbonylContact O-C 3.58Å; F303-H306 PolarHBondContact O-N 2.95Å; F303-L307 VanDerWaalsContact O-CB 3.27Å; F303-L307 WeakPolarHBondContact O-CB 3.33Å; F303-L307 WeakPolarHBondContact O-CD1 3.36Å; F303-L307 WeakPolarHBondContact O-CG 3.13Å; F303-L307 PolarHBondContact O-N 3.29Å |
| 304 | I | 78.9 | Confident | 70.5 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 175.9 | -68.4 | 168 | 0 | 0 | 0 | 110.6 | L36 L37 L40 P300 L301 L321 | L36-I304 HydrophobicContact CD2-CD1 4.13Å; L36-I304 HydrophobicContact CG-CD1 4.42Å; L37-I304 HydrophobicContact CD1-CG1 4.32Å; L40-I304 HydrophobicContact CD1-CD1 3.99Å; L40-I304 HydrophobicContact CD1-CG1 3.68Å; P300-I304 VanDerWaalsContact O-CB 3.3Å; P300-I304 WeakPolarHBondContact O-CB 3.15Å; P300-I304 WeakPolarHBondContact O-CD1 3.41Å; P300-I304 WeakPolarHBondContact O-CG1 3.42Å; P300-I304 PolarHBondContact O-N 2.69Å; L301-I304 PolarHBondContact O-N 3.38Å; I304-L321 HydrophobicContact CG2-CD2 3.85Å |
| 305 | W | 73.3 | Confident | 68 | Low | 118 Ų | 118 | 56.6 Ų | 56.6 | 45% | 0.447 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | 177.4 | -171.8 | -88.3 | 0 | 0 | 0 | 113.4 | L301 L302 F303 L325 P326 | L301-W305 VanDerWaalsContact O-CB 3.27Å; L301-W305 WeakPolarHBondContact O-CB 2.82Å; L301-W305 PolarHBondContact O-N 3.41Å; L302-W305 PolarHBondContact O-N 3.45Å; F303-W305 VanDerWaalsContact C-N 3.27Å; F303-W305 PolarHBondContact O-N 2.96Å; W305-L325 HydrophobicContact CD2-CD2 4.35Å; W305-L325 HydrophobicContact CE3-CD2 3.25Å; W305-L325 HydrophobicContact CH2-CD2 4.21Å; W305-L325 HydrophobicContact CZ3-CB 4.17Å; W305-L325 HydrophobicContact CZ3-CD2 3.16Å; W305-L325 HydrophobicContact CZ3-CG 4.24Å; W305-P326 HydrophobicContact CH2-CG 4.25Å; W305-P326 HydrophobicContact CZ3-CG 4.46Å |
| 306 | H | 70.3 | Confident | 65.8 | Low | 74 Ų | 74 | 66 Ų | 66 | 34% | 0.343 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -99.7 | -3 | -176.3 | -69.1 | -65.1 | 0 | 0 | 0 | 114.6 | M241 L302 F303 | M241-H306 HydrophobicContact CB-CB 4.18Å; M241-H306 HydrophobicContact CG-CB 3.76Å; L302-H306 WeakPolarHBondContact O-CB 3.31Å; L302-H306 PolarHBondContact O-CD2 3.35Å; L302-H306 PolarHBondContact O-N 3.27Å; F303-H306 CarbonylContact O-C 3.58Å; F303-H306 PolarHBondContact O-N 2.95Å |
| 307 | L | 65.2 | Low | 63.6 | Low | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.131 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -65.8 | 135.7 | 176.4 | -92.6 | 162.8 | 0 | 0 | 0 | 109.4 | L37 C44 M241 F303 | L37-L307 HydrophobicContact CD1-CD1 4.34Å; C44-L307 HydrophobicContact CB-CD2 4.43Å; C44-L307 VanDerWaalsContact SG-CD2 3.59Å; M241-L307 HydrophobicContact CE-CD2 3.83Å; M241-L307 HydrophobicContact CE-CG 3.79Å; F303-L307 VanDerWaalsContact O-CB 3.27Å; F303-L307 WeakPolarHBondContact O-CB 3.33Å; F303-L307 WeakPolarHBondContact O-CD1 3.36Å; F303-L307 WeakPolarHBondContact O-CG 3.13Å; F303-L307 PolarHBondContact O-N 3.29Å |
| 308 | P | 54.4 | Low | 61.1 | Low | 53 Ų | 53 | 73 Ų | 73 | 34% | 0.344 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 142.2 | 171.4 | -18.5 | 28.9 | 0 | 0 | 0 | 109.5 | P46 T310 | P46-P308 HydrophobicContact CB-CB 4.45Å; P46-P308 HydrophobicContact CB-CG 4.33Å; P46-P308 HydrophobicContact CG-CB 4.03Å; P46-P308 HydrophobicContact CG-CG 4.09Å; P308-T310 PolarHBondContact O-N 3Å |
| 309 | P | 52 | Low | 58.7 | Low | 72 Ų | 72 | 70.6 Ų | 70.6 | 47% | 0.468 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 118.2 | 178.4 | 23 | -32.7 | 0 | 0 | 0 | 108.9 | ||
| 310 | T | 45.6 | Very low | 56.6 | Low | 48 Ų | 48 | 75.7 Ų | 75.7 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 146 | 175.5 | 54.2 | 0 | 0 | 0 | 0 | 108.4 | C44 P308 I312 | C44-T310 HydrophobicContact CB-CG2 4.14Å; P308-T310 PolarHBondContact O-N 3Å; T310-I312 HydrophobicContact CG2-CD1 4.14Å; T310-I312 PolarHBondContact O-N 3.47Å; T310-I312 VanDerWaalsContact OG1-CD1 3.31Å; T310-I312 WeakPolarHBondContact OG1-CD1 3.33Å |
| 311 | T | 36.1 | Very low | 54.4 | Low | 120 Ų | 120 | 77.6 Ų | 77.6 | 74% | 0.736 | 40% | 0.396 | S | S | * | . | trans | -73.5 | 19.7 | 175.5 | 46.8 | 0 | 0 | 0 | 0 | 113 | R313 | T311-R313 PolarHBondContact O-N 2.85Š| ||
| 312 | I | 40.7 | Very low | 52.4 | Low | 40 Ų | 40 | 78.3 Ų | 78.3 | 21% | 0.205 | 41% | 0.407 | C | S | . | . | trans | -74.8 | 112.3 | -173.6 | -58.5 | 166.2 | 0 | 0 | 0 | 108.8 | L40 H43 T310 L314 | L40-I312 HydrophobicContact CD2-CD1 4.32Å; H43-I312 HydrophobicContact CB-CD1 3.33Å; H43-I312 HydrophobicContact CB-CG1 3.98Å; T310-I312 HydrophobicContact CG2-CD1 4.14Å; T310-I312 PolarHBondContact O-N 3.47Å; T310-I312 VanDerWaalsContact OG1-CD1 3.31Å; T310-I312 WeakPolarHBondContact OG1-CD1 3.33Å; I312-L314 HydrophobicContact CG2-CG 4.05Å; I312-L314 PolarHBondContact O-N 3.2Å; I312-L314 VanDerWaalsContact O-N 3.1Å | ||
| 313 | R | 34.8 | Very low | 50.3 | Low | 218 Ų | 218 | 80.8 Ų | 80.8 | 82% | 0.823 | 43% | 0.427 | S | S | * | . | trans | -68.5 | 102.1 | 164 | -69.6 | -177.6 | 179.2 | 173.9 | 0.4 | 107.9 | T311 P315 | T311-R313 PolarHBondContact O-N 2.85Å; R313-P315 WeakPolarHBondContact O-CD 3.42Å | ||
| 314 | L | 41 | Very low | 48.5 | Very low | 35 Ų | 35 | 85.5 Ų | 85.5 | 18% | 0.183 | 45% | 0.45 | C | S | . | . | trans | -90.7 | 102.2 | 167 | -74.8 | 152.6 | 0 | 0 | 0 | 108.3 | Y39 L40 I312 F316 A317 L321 | Y39-L314 HydrophobicContact CD1-CD2 4.23Å; Y39-L314 HydrophobicContact CE1-CD2 3.66Å; L40-L314 HydrophobicContact CD2-CD1 4.11Å; I312-L314 HydrophobicContact CG2-CG 4.05Å; I312-L314 PolarHBondContact O-N 3.2Å; I312-L314 VanDerWaalsContact O-N 3.1Å; L314-F316 PolarHBondContact O-N 3.23Å; L314-F316 VanDerWaalsContact O-N 3.13Å; L314-A317 HydrophobicContact CB-CB 3.52Å; L314-A317 HydrophobicContact CD1-CB 3.8Å; L314-A317 HydrophobicContact CD2-CB 4.08Å; L314-A317 HydrophobicContact CG-CB 3.99Å; L314-A317 PolarHBondContact O-N 3Å; L314-L321 HydrophobicContact CD1-CD1 3.75Å | ||
| 315 | P | 37.7 | Very low | 46.8 | Very low | 115 Ų | 115 | 87.6 Ų | 87.6 | 75% | 0.747 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22 | -174.5 | 21.5 | -30.8 | 0 | 0 | 0 | 113.6 | R313 | R313-P315 WeakPolarHBondContact O-CD 3.42Š|
| 316 | F | 43.7 | Very low | 45.2 | Very low | 198 Ų | 198 | 86.4 Ų | 86.4 | 87% | 0.868 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | -10.3 | -179.9 | -67 | -78.5 | 0 | 0 | 0 | 114.9 | L314 | L314-F316 PolarHBondContact O-N 3.23Å; L314-F316 VanDerWaalsContact O-N 3.13Å |
| 317 | A | 43.9 | Very low | 44 | Very low | 15 Ų | 15 | 90.1 Ų | 90.1 | 12% | 0.124 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -98.4 | -8.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L314 G319 F320 L321 | L314-A317 HydrophobicContact CB-CB 3.52Å; L314-A317 HydrophobicContact CD1-CB 3.8Å; L314-A317 HydrophobicContact CD2-CB 4.08Å; L314-A317 HydrophobicContact CG-CB 3.99Å; L314-A317 PolarHBondContact O-N 3Å; A317-G319 VanDerWaalsContact C-N 3.29Å; A317-G319 PolarHBondContact O-N 3.48Å; A317-F320 PolarHBondContact O-N 2.93Å; A317-L321 HydrophobicContact CB-CD1 3.81Å; A317-L321 VanDerWaalsContact O-CB 3.29Å; A317-L321 WeakPolarHBondContact O-CB 2.99Å; A317-L321 PolarHBondContact O-N 2.96Å |
| 318 | K | 40 | Very low | 42.9 | Very low | 170 Ų | 170 | 96.2 Ų | 96.2 | 74% | 0.739 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.1 | -42.6 | -178.3 | -155 | 178.4 | -175.9 | -176.4 | 0 | 111.4 | S322 | K318-S322 VanDerWaalsContact O-CB 3.24Å; K318-S322 WeakPolarHBondContact O-CB 3.35Å; K318-S322 PolarHBondContact O-N 3.28Å; K318-S322 PolarHBondContact O-OG 2.96Å |
| 319 | G | 41.5 | Very low | 42.3 | Very low | 48 Ų | 48 | 101.5 Ų | 101.5 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.9 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A317 S322 S323 | A317-G319 VanDerWaalsContact C-N 3.29Å; A317-G319 PolarHBondContact O-N 3.48Å; G319-S322 WeakPolarHBondContact CA-OG 3.25Å; G319-S322 PolarHBondContact O-N 3.42Å; G319-S322 PolarHBondContact O-OG 3.03Å; G319-S323 PolarHBondContact O-N 3.45Å; G319-S323 PolarHBondContact O-OG 2.01Å |
| 320 | F | 44.6 | Very low | 41.8 | Very low | 107 Ų | 107 | 104.2 Ų | 104.2 | 47% | 0.469 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.5 | -40.7 | -177.6 | -173 | -101.4 | 0 | 0 | 0 | 113.1 | A317 S323 M324 | A317-F320 PolarHBondContact O-N 2.93Å; F320-S323 PolarHBondContact O-N 3Å; F320-S323 PolarHBondContact O-OG 3.23Å; F320-M324 HydrophobicContact CD1-CG 4.45Å; F320-M324 HydrophobicContact CE1-CE 3.58Å; F320-M324 HydrophobicContact CE1-CG 4.22Å; F320-M324 HydrophobicContact CE2-CE 4Å; F320-M324 HydrophobicContact CZ-CE 3.21Å; F320-M324 HydrophobicContact CZ-CG 4.38Å; F320-M324 WeakPolarHBondContact O-CB 3.47Å; F320-M324 WeakPolarHBondContact O-CG 3.01Å; F320-M324 PolarHBondContact O-N 3.36Å; F320-M324 VanDerWaalsContact O-N 3.09Å |
| 321 | L | 42.5 | Very low | 41.6 | Very low | 41 Ų | 41 | 104.8 Ų | 104.8 | 22% | 0.215 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 172.2 | -83.8 | 149.8 | 0 | 0 | 0 | 110.6 | I304 L314 A317 S323 M324 L325 | I304-L321 HydrophobicContact CG2-CD2 3.85Å; L314-L321 HydrophobicContact CD1-CD1 3.75Å; A317-L321 HydrophobicContact CB-CD1 3.81Å; A317-L321 VanDerWaalsContact O-CB 3.29Å; A317-L321 WeakPolarHBondContact O-CB 2.99Å; A317-L321 PolarHBondContact O-N 2.96Å; L321-S323 VanDerWaalsContact C-N 3.27Å; L321-S323 PolarHBondContact O-N 3.22Å; L321-M324 PolarHBondContact O-N 2.88Å; L321-L325 WeakPolarHBondContact O-CB 3.36Å; L321-L325 WeakPolarHBondContact O-CD1 3.05Å; L321-L325 WeakPolarHBondContact O-CG 3.3Å; L321-L325 PolarHBondContact O-N 3.26Å; L321-L325 VanDerWaalsContact O-N 3.09Å |
| 322 | S | 45.7 | Very low | 41.6 | Very low | 78 Ų | 78 | 108.2 Ų | 108.2 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.2 | -28.1 | 176.7 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | K318 G319 | K318-S322 VanDerWaalsContact O-CB 3.24Å; K318-S322 WeakPolarHBondContact O-CB 3.35Å; K318-S322 PolarHBondContact O-N 3.28Å; K318-S322 PolarHBondContact O-OG 2.96Å; G319-S322 WeakPolarHBondContact CA-OG 3.25Å; G319-S322 PolarHBondContact O-N 3.42Å; G319-S322 PolarHBondContact O-OG 3.03Å |
| 323 | S | 43.9 | Very low | 41.4 | Very low | 91 Ų | 91 | 110 Ų | 110 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -84.6 | -26.5 | 177.1 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | G319 F320 L321 | G319-S323 PolarHBondContact O-N 3.45Å; G319-S323 PolarHBondContact O-OG 2.01Å; F320-S323 PolarHBondContact O-N 3Å; F320-S323 PolarHBondContact O-OG 3.23Å; L321-S323 VanDerWaalsContact C-N 3.27Å; L321-S323 PolarHBondContact O-N 3.22Å |
| 324 | M | 42 | Very low | 41.7 | Very low | 100 Ų | 100 | 109.1 Ų | 109.1 | 49% | 0.493 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -83.6 | -25 | 178.6 | -81.1 | -95.7 | -154.4 | 0 | 0 | 112.9 | F320 L321 P326 | F320-M324 HydrophobicContact CD1-CG 4.45Å; F320-M324 HydrophobicContact CE1-CE 3.58Å; F320-M324 HydrophobicContact CE1-CG 4.22Å; F320-M324 HydrophobicContact CE2-CE 4Å; F320-M324 HydrophobicContact CZ-CE 3.21Å; F320-M324 HydrophobicContact CZ-CG 4.38Å; F320-M324 WeakPolarHBondContact O-CB 3.47Å; F320-M324 WeakPolarHBondContact O-CG 3.01Å; F320-M324 PolarHBondContact O-N 3.36Å; F320-M324 VanDerWaalsContact O-N 3.09Å; L321-M324 PolarHBondContact O-N 2.88Å; M324-P326 WeakPolarHBondContact O-CD 3.1Å |
| 325 | L | 43.6 | Very low | 41.6 | Very low | 73 Ų | 73 | 114 Ų | 114 | 38% | 0.382 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -85.1 | 117.4 | 175.7 | -61.5 | 168 | 0 | 0 | 0 | 108.2 | W305 L321 E327 | W305-L325 HydrophobicContact CD2-CD2 4.35Å; W305-L325 HydrophobicContact CE3-CD2 3.25Å; W305-L325 HydrophobicContact CH2-CD2 4.21Å; W305-L325 HydrophobicContact CZ3-CB 4.17Å; W305-L325 HydrophobicContact CZ3-CD2 3.16Å; W305-L325 HydrophobicContact CZ3-CG 4.24Å; L321-L325 WeakPolarHBondContact O-CB 3.36Å; L321-L325 WeakPolarHBondContact O-CD1 3.05Å; L321-L325 WeakPolarHBondContact O-CG 3.3Å; L321-L325 PolarHBondContact O-N 3.26Å; L321-L325 VanDerWaalsContact O-N 3.09Å; L325-E327 PolarHBondContact O-N 2.91Å; L325-E327 VanDerWaalsContact O-N 3.15Å |
| 326 | P | 39 | Very low | 41.7 | Very low | 93 Ų | 93 | 112.7 Ų | 112.7 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | trans | -56.5 | 124.2 | 174.3 | 2.9 | -2 | 0 | 0 | 0 | 109.6 | W305 M324 R328 | W305-P326 HydrophobicContact CH2-CG 4.25Å; W305-P326 HydrophobicContact CZ3-CG 4.46Å; M324-P326 WeakPolarHBondContact O-CD 3.1Å; P326-R328 PolarHBondContact O-N 3.02Å | ||
| 327 | E | 45.3 | Very low | 41.3 | Very low | 152 Ų | 152 | 112.7 Ų | 112.7 | 71% | 0.71 | 58% | 0.576 | S | S | * | * | trans | -54.3 | 114.7 | 170 | -78.8 | -170.3 | 146.3 | 0 | 0 | 108.6 | L325 K329 | L325-E327 PolarHBondContact O-N 2.91Å; L325-E327 VanDerWaalsContact O-N 3.15Å; E327-K329 VanDerWaalsContact C-N 3.25Å; E327-K329 PolarHBondContact O-N 3.49Å | ||
| 328 | R | 43.1 | Very low | 40.8 | Very low | 154 Ų | 154 | 115.1 Ų | 115.1 | 58% | 0.581 | 60% | 0.603 | S | S | * | * | trans | -67.7 | 85.5 | 170.5 | -81.9 | -172.8 | 179 | -176.1 | 0.7 | 109.6 | P326 D330 E331 | P326-R328 PolarHBondContact O-N 3.02Å; R328-D330 PolarHBondContact O-N 3.47Å; R328-E331 HydrophobicContact CB-CG 4.18Å; R328-E331 IonicContact NH1-OE1 2.82Å; R328-E331 PolarHBondContact NH1-OE1 3.14Å; R328-E331 PolarHBondContact O-N 3.43Å | ||
| 329 | K | 42.2 | Very low | 40.5 | Very low | 164 Ų | 164 | 112.3 Ų | 112.3 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -18.4 | 176.3 | -77.3 | -176.3 | 175.5 | 178.3 | 0 | 113.6 | E327 E331 | E327-K329 VanDerWaalsContact C-N 3.25Å; E327-K329 PolarHBondContact O-N 3.49Å; K329-E331 VanDerWaalsContact C-N 3.3Å; K329-E331 PolarHBondContact O-N 2.92Å |
| 330 | D | 41.6 | Very low | 40.1 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 69% | 0.69 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -7.9 | -177.6 | -68.7 | -27.5 | 0 | 0 | 0 | 115.1 | R328 | R328-D330 PolarHBondContact O-N 3.47Š|
| 331 | E | 40.6 | Very low | 39.5 | Very low | 60 Ų | 60 | 124.2 Ų | 124.2 | 28% | 0.28 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.7 | -29.1 | -174.8 | -60.1 | -162.4 | 133.3 | 0 | 0 | 113.6 | R328 K329 F335 R360 | R328-E331 HydrophobicContact CB-CG 4.18Å; R328-E331 IonicContact NH1-OE1 2.82Å; R328-E331 PolarHBondContact NH1-OE1 3.14Å; R328-E331 PolarHBondContact O-N 3.43Å; K329-E331 VanDerWaalsContact C-N 3.3Å; K329-E331 PolarHBondContact O-N 2.92Å; E331-F335 WeakPolarHBondContact O-CD2 3.49Å; E331-R360 WeakPolarHBondContact OE1-CD 3.29Å; E331-R360 IonicContact OE1-CZ 3.8Å; E331-R360 IonicContact OE1-NE 3.7Å; E331-R360 IonicContact OE1-NH1 3.02Å; E331-R360 PolarHBondContact OE1-NH1 3.04Å |
| 332 | K | 36.3 | Very low | 39 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 83% | 0.83 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -27 | -178.1 | -72.1 | -176.2 | 177 | 178.2 | 0 | 113.9 | ||
| 333 | A | 37.5 | Very low | 38.2 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 65% | 0.645 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -21.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 334 | R | 39.5 | Very low | 37.4 | Very low | 200 Ų | 200 | 134 Ų | 134 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -14.8 | -177.9 | -69.7 | -171.2 | -168.6 | -176.1 | 4.5 | 114.5 | ||
| 335 | F | 40.3 | Very low | 36.8 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -87.9 | -11.2 | 178.6 | -73.3 | -71.4 | 0 | 0 | 0 | 114.3 | E331 | E331-F335 WeakPolarHBondContact O-CD2 3.49Š|
| 336 | A | 39.1 | Very low | 36 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -87.1 | -5.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 337 | K | 35.5 | Very low | 35.5 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -133.8 | 79.5 | -176.4 | -75.4 | -176.5 | 175.7 | 179.7 | 0 | 111.1 | ||
| 338 | G | 33.5 | Very low | 35 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 174.9 | 95.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 339 | S | 34.4 | Very low | 34.4 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | 9.3 | 107.4 | 158.2 | 56.7 | 0 | 0 | 0 | 0 | 120.2 | K341 | S339-K341 VanDerWaalsContact C-N 3.31Å; S339-K341 PolarHBondContact O-N 2.86Å | ||
| 340 | K | 31.8 | Very low | 34.1 | Very low | 220 Ų | 220 | 139.4 Ų | 139.4 | 96% | 0.957 | 73% | 0.728 | S | S | * | * | S | Bend | 38.6 | 19 | 126.9 | -79.6 | -169 | 176.9 | -177.1 | 0 | 122.5 | |||
| 341 | K | 31.6 | Very low | 33.9 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 81% | 0.809 | 74% | 0.735 | S | S | * | * | trans | -135.4 | 4.8 | 178.4 | -88.1 | -166.8 | 177.2 | -177.5 | 0 | 118.9 | S339 | S339-K341 VanDerWaalsContact C-N 3.31Å; S339-K341 PolarHBondContact O-N 2.86Å | ||
| 342 | N | 31.7 | Very low | 33.4 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -119.8 | 116.6 | -179.8 | -68.2 | -26.2 | 0 | 0 | 0 | 112.6 | ||
| 343 | L | 29.8 | Very low | 33.2 | Very low | 114 Ų | 114 | 143 Ų | 143 | 60% | 0.597 | 75% | 0.748 | S | S | * | * | trans | -48.4 | 130.7 | -178.1 | -94.7 | 76.2 | 0 | 0 | 0 | 115.2 | Y385 | L343-Y385 HydrophobicContact CD2-CE1 3.85Å; L343-Y385 HydrophobicContact CD2-CE2 4.44Å | ||
| 344 | L | 27.2 | Very low | 32.9 | Very low | 144 Ų | 144 | 148 Ų | 148 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | 33.8 | 92 | 121.3 | -78.3 | 145.7 | 0 | 0 | 0 | 117.6 | |||||
| 345 | I | 30.2 | Very low | 32.4 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -135.2 | 79.3 | 144.1 | -55.3 | 178.2 | 0 | 0 | 0 | 106.2 | ||||
| 346 | D | 26.6 | Very low | 31.9 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | trans | -154.6 | 83.3 | 165.7 | -124 | -7.1 | 0 | 0 | 0 | 108.3 | ||||
| 347 | Q | 28.7 | Very low | 31.5 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -133.9 | 83.9 | 155.3 | -92.4 | -167.6 | -12 | 0 | 0 | 107.6 | S349 | Q347-S349 PolarHBondContact O-N 3.44Š| ||
| 348 | I | 33.6 | Very low | 31.5 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | trans | -71.3 | 107.5 | 164 | -61.3 | 167.9 | 0 | 0 | 0 | 105.9 | ||||
| 349 | S | 30.2 | Very low | 31.4 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 56% | 0.559 | 71% | 0.713 | S | S | * | * | trans | -91.8 | 128.1 | 165.8 | 171 | 0 | 0 | 0 | 0 | 108.3 | Q347 K351 E352 | Q347-S349 PolarHBondContact O-N 3.44Å; S349-K351 PolarHBondContact O-N 3.16Å; S349-E352 PolarHBondContact O-N 3.43Å | ||
| 350 | D | 35.9 | Very low | 31.4 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 7.4 | -174.5 | -77.9 | -32.1 | 0 | 0 | 0 | 115.9 | ||
| 351 | K | 37.3 | Very low | 31.7 | Very low | 193 Ų | 193 | 132.9 Ų | 132.9 | 84% | 0.839 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | -22.1 | -176.5 | -67.8 | -173.5 | 177.4 | 179.9 | 0 | 115.6 | S349 | S349-K351 PolarHBondContact O-N 3.16Š|
| 352 | E | 31.2 | Very low | 31.8 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | trans | -154.6 | 109.9 | -179.6 | -67.6 | -172.6 | 145 | 0 | 0 | 112.2 | S349 | S349-E352 PolarHBondContact O-N 3.43Š| ||
| 353 | T | 32.6 | Very low | 31.7 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 63% | 0.632 | 65% | 0.65 | S | S | * | * | trans | -102 | 100.5 | 174.7 | 24.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 354 | R | 29.6 | Very low | 31.6 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | trans | -89.1 | 115.3 | 158.4 | -87.9 | -177.1 | 177.3 | -164.6 | -6.7 | 107.5 | D374 | R354-D374 IonicContact CZ-OD2 3.73Å; R354-D374 IonicContact NH1-OD2 3.64Å; R354-D374 IonicContact NH2-OD2 2.9Å; R354-D374 PolarHBondContact NH2-OD2 2.85Å | ||
| 355 | V | 29.1 | Very low | 31.8 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 67% | 0.673 | 65% | 0.654 | S | S | * | * | trans | -109.5 | 112.1 | 175.1 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | V357 | V355-V357 HydrophobicContact CG1-CG2 3.92Š| ||
| 356 | T | 31 | Very low | 32 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | trans | -98.5 | 104.5 | 174 | -34.8 | 0 | 0 | 0 | 0 | 108 | I358 | T356-I358 PolarHBondContact O-N 3.5Š| ||
| 357 | V | 31.2 | Very low | 32.2 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | trans | -87.6 | 109.5 | 177 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | V355 | V355-V357 HydrophobicContact CG1-CG2 3.92Š| ||
| 358 | I | 34.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 55% | 0.549 | 60% | 0.601 | S | S | . | * | trans | -87.1 | 122.2 | 173.3 | -58.5 | 174.5 | 0 | 0 | 0 | 108.4 | T356 R360 L362 | T356-I358 PolarHBondContact O-N 3.5Å; I358-R360 PolarHBondContact O-N 2.91Å; I358-L362 HydrophobicContact CG2-CD1 3.91Å | ||
| 359 | P | 32.1 | Very low | 32.3 | Very low | 61 Ų | 61 | 112.9 Ų | 112.9 | 40% | 0.396 | 59% | 0.587 | S | S | . | * | trans | -61.9 | 121.3 | 176 | -22.3 | 33 | 0 | 0 | 0 | 112 | H361 L362 | P359-H361 WeakPolarHBondContact CB-CE1 3.01Å; P359-H361 WeakPolarHBondContact CB-ND1 3.14Å; P359-H361 PolarHBondContact O-N 3.41Å; P359-L362 PolarHBondContact O-N 2.91Å; P359-L362 VanDerWaalsContact O-N 3.11Å | ||
| 360 | R | 33.3 | Very low | 32.5 | Very low | 83 Ų | 83 | 112.9 Ų | 112.9 | 31% | 0.313 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.9 | -4.1 | -178.5 | -113.8 | 170.6 | 165.3 | -170.5 | -5.6 | 117.5 | E331 I358 | E331-R360 WeakPolarHBondContact OE1-CD 3.29Å; E331-R360 IonicContact OE1-CZ 3.8Å; E331-R360 IonicContact OE1-NE 3.7Å; E331-R360 IonicContact OE1-NH1 3.02Å; E331-R360 PolarHBondContact OE1-NH1 3.04Å; I358-R360 PolarHBondContact O-N 2.91Å |
| 361 | H | 38 | Very low | 32.5 | Very low | 137 Ų | 137 | 109.5 Ų | 109.5 | 63% | 0.634 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -8.3 | 172.5 | 65.7 | -89.3 | 0 | 0 | 0 | 112.6 | P359 E363 | P359-H361 WeakPolarHBondContact CB-CE1 3.01Å; P359-H361 WeakPolarHBondContact CB-ND1 3.14Å; P359-H361 PolarHBondContact O-N 3.41Å; H361-E363 PolarHBondContact O-N 2.77Å; H361-E363 VanDerWaalsContact O-N 3.12Å |
| 362 | L | 33.9 | Very low | 32.3 | Very low | 73 Ų | 73 | 102.6 Ų | 102.6 | 38% | 0.382 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -75.8 | 81.1 | 156.2 | -71.4 | 154.6 | 0 | 0 | 0 | 107.4 | I358 P359 Y364 D366 | I358-L362 HydrophobicContact CG2-CD1 3.91Å; P359-L362 PolarHBondContact O-N 2.91Å; P359-L362 VanDerWaalsContact O-N 3.11Å; L362-Y364 PolarHBondContact O-N 3.4Å; L362-D366 HydrophobicContact CD2-CB 4.35Å; L362-D366 WeakPolarHBondContact CD2-OD2 3.42Å |
| 363 | E | 30.3 | Very low | 32.6 | Very low | 156 Ų | 156 | 100.9 Ų | 100.9 | 73% | 0.729 | 53% | 0.527 | S | S | * | . | trans | -49.1 | 109.3 | 171.8 | -74.9 | 178.8 | 156.1 | 0 | 0 | 110.1 | H361 C365 | H361-E363 PolarHBondContact O-N 2.77Å; H361-E363 VanDerWaalsContact O-N 3.12Å; E363-C365 PolarHBondContact O-N 2.88Å | ||
| 364 | Y | 28 | Very low | 32.7 | Very low | 155 Ų | 155 | 100.5 Ų | 100.5 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 26 | 12.8 | 146.1 | -77.4 | -86.1 | 0 | 0 | 0 | 122.6 | L362 | L362-Y364 PolarHBondContact O-N 3.4Š|
| 365 | C | 30.8 | Very low | 33.2 | Very low | 122 Ų | 122 | 96.9 Ų | 96.9 | 82% | 0.824 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -125 | -1.5 | 173.5 | -72.8 | 0 | 0 | 0 | 0 | 112.9 | E363 | E363-C365 PolarHBondContact O-N 2.88Š|
| 366 | D | 34.3 | Very low | 33.5 | Very low | 60 Ų | 60 | 100.8 Ų | 100.8 | 32% | 0.321 | 53% | 0.527 | S | S | . | . | trans | -100.9 | 7.8 | -176.6 | -77.8 | -34.9 | 0 | 0 | 0 | 113.9 | R216 L362 G368 | R216-D366 IonicContact CZ-OD1 3.44Å; R216-D366 IonicContact CZ-OD2 3.77Å; R216-D366 IonicContact NH1-OD1 3.7Å; R216-D366 IonicContact NH1-OD2 3.67Å; R216-D366 PolarHBondContact NH1-OD2 2.83Å; R216-D366 IonicContact NH2-OD1 3.8Å; R216-D366 IonicContact NH2-OD2 3.7Å; R216-D366 PolarHBondContact NH2-OD2 3.21Å; L362-D366 HydrophobicContact CD2-CB 4.35Å; L362-D366 WeakPolarHBondContact CD2-OD2 3.42Å; D366-G368 VanDerWaalsContact C-N 3.3Å; D366-G368 PolarHBondContact O-N 2.98Å | ||
| 367 | L | 31.1 | Very low | 33.5 | Very low | 127 Ų | 127 | 100.8 Ų | 100.8 | 67% | 0.665 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 73.4 | 173.8 | -96.9 | 106.8 | 0 | 0 | 0 | 111.3 | ||
| 368 | G | 30.2 | Very low | 33.9 | Very low | 33 Ų | 33 | 99.2 Ų | 99.2 | 34% | 0.34 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | -7.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D366 V381 | D366-G368 VanDerWaalsContact C-N 3.3Å; D366-G368 PolarHBondContact O-N 2.98Å; G368-V381 VanDerWaalsContact CA-CG2 3.48Å; G368-V381 WeakPolarHBondContact O-CG2 3.27Å; G368-V381 PolarHBondContact O-N 3.16Å; G368-V381 VanDerWaalsContact O-N 3.1Å |
| 369 | I | 34 | Very low | 34 | Very low | 63 Ų | 63 | 95 Ų | 95 | 32% | 0.323 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 95.9 | -173.1 | -50.4 | 175.6 | 0 | 0 | 0 | 109.1 | L226 L230 L371 V378 | L226-I369 HydrophobicContact CD1-CD1 3.88Å; L230-I369 HydrophobicContact CD2-CD1 3.94Å; I369-L371 HydrophobicContact CG2-CG 4Å; I369-L371 PolarHBondContact O-N 3.13Å; I369-V378 HydrophobicContact CG2-CG1 3.85Å |
| 370 | L | 34.7 | Very low | 34.2 | Very low | 80 Ų | 80 | 98.4 Ų | 98.4 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 101.2 | 160 | -103.2 | 136.7 | 0 | 0 | 0 | 106.3 | D372 V381 F384 | L370-D372 PolarHBondContact O-N 3.05Å; L370-V381 HydrophobicContact CD1-CG2 4.48Å; L370-F384 HydrophobicContact CD1-CD1 3.71Å; L370-F384 HydrophobicContact CD1-CE1 3.76Å; L370-F384 HydrophobicContact CD1-CG 4.24Å; L370-F384 HydrophobicContact CD1-CZ 4.35Å; L370-F384 HydrophobicContact CD2-CZ 4.46Å |
| 371 | L | 35.1 | Very low | 34.5 | Very low | 91 Ų | 91 | 95.4 Ų | 95.4 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 107.2 | 169.3 | -85.2 | 156.9 | 0 | 0 | 0 | 108 | L230 I369 M373 | L230-L371 HydrophobicContact CD2-CD1 4.41Å; I369-L371 HydrophobicContact CG2-CG 4Å; I369-L371 PolarHBondContact O-N 3.13Å; L371-M373 VanDerWaalsContact C-N 3.28Å; L371-M373 HydrophobicContact CB-CG 4.39Å; L371-M373 PolarHBondContact O-N 3.21Å |
| 372 | D | 34.6 | Very low | 34.5 | Very low | 48 Ų | 48 | 95.1 Ų | 95.1 | 26% | 0.257 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 92.6 | 159.8 | -171.7 | 5.9 | 0 | 0 | 0 | 107.6 | L370 D374 N375 E376 I379 | L370-D372 PolarHBondContact O-N 3.05Å; D372-D374 PolarHBondContact O-N 2.98Å; D372-D374 VanDerWaalsContact O-N 3.1Å; D372-D374 PolarHBondContact OD1-N 3.35Å; D372-N375 PolarHBondContact O-N 3.13Å; D372-N375 VanDerWaalsContact O-N 3.15Å; D372-N375 PolarHBondContact OD2-ND2 3.02Å; D372-E376 PolarHBondContact O-N 2.74Å; D372-I379 HydrophobicContact CB-CD1 4.45Å |
| 373 | M | 37.3 | Very low | 34.7 | Very low | 123 Ų | 123 | 95 Ų | 95 | 61% | 0.606 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -6.3 | -177.7 | -64.3 | -144.1 | -39.1 | 0 | 0 | 113.5 | P46 L371 | P46-M373 HydrophobicContact CB-CE 3.93Å; P46-M373 HydrophobicContact CB-SD 4.18Å; P46-M373 HydrophobicContact CG-CE 4.2Å; L371-M373 VanDerWaalsContact C-N 3.28Å; L371-M373 HydrophobicContact CB-CG 4.39Å; L371-M373 PolarHBondContact O-N 3.21Å |
| 374 | D | 34.9 | Very low | 35.1 | Very low | 96 Ų | 96 | 90.2 Ų | 90.2 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -20.3 | 174.9 | -69.1 | -29.7 | 0 | 0 | 0 | 112.2 | R354 D372 | R354-D374 IonicContact CZ-OD2 3.73Å; R354-D374 IonicContact NH1-OD2 3.64Å; R354-D374 IonicContact NH2-OD2 2.9Å; R354-D374 PolarHBondContact NH2-OD2 2.85Å; D372-D374 PolarHBondContact O-N 2.98Å; D372-D374 VanDerWaalsContact O-N 3.1Å; D372-D374 PolarHBondContact OD1-N 3.35Å |
| 375 | N | 39.4 | Very low | 35.4 | Very low | 106 Ų | 106 | 87.7 Ų | 87.7 | 57% | 0.567 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 0.7 | -169.3 | -76.3 | -36.3 | 0 | 0 | 0 | 116.5 | D372 E377 | D372-N375 PolarHBondContact O-N 3.13Å; D372-N375 VanDerWaalsContact O-N 3.15Å; D372-N375 PolarHBondContact OD2-ND2 3.02Å; N375-E377 PolarHBondContact O-N 3.2Å |
| 376 | E | 36.3 | Very low | 35.7 | Very low | 194 Ų | 194 | 87.8 Ų | 87.8 | 91% | 0.907 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 13.5 | -175.1 | -63.4 | -169.1 | 161.5 | 0 | 0 | 114.9 | D372 | D372-E376 PolarHBondContact O-N 2.74Š|
| 377 | E | 30.7 | Very low | 36 | Very low | 107 Ų | 107 | 91.9 Ų | 91.9 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 128.8 | 176.9 | -73.4 | -164.5 | 168 | 0 | 0 | 111.3 | N375 I379 R387 | N375-E377 PolarHBondContact O-N 3.2Å; E377-I379 PolarHBondContact O-N 3.06Å; E377-R387 IonicContact OE2-NH1 3.84Å |
| 378 | V | 38.4 | Very low | 36.2 | Very low | 61 Ų | 61 | 90 Ų | 90 | 37% | 0.37 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 98.6 | 169.1 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | L226 L230 I369 | L226-V378 HydrophobicContact CD2-CB 4.18Å; L226-V378 HydrophobicContact CD2-CG1 3.37Å; L226-V378 HydrophobicContact CD2-CG2 4.29Å; L230-V378 HydrophobicContact CD1-CG2 4.11Å; I369-V378 HydrophobicContact CG2-CG1 3.85Å |
| 379 | I | 36.9 | Very low | 36.3 | Very low | 20 Ų | 20 | 91.2 Ų | 91.2 | 10% | 0.103 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 118.7 | 171.6 | -48.5 | 176.3 | 0 | 0 | 0 | 107.6 | D372 E377 V381 D383 F384 | D372-I379 HydrophobicContact CB-CD1 4.45Å; E377-I379 PolarHBondContact O-N 3.06Å; I379-V381 PolarHBondContact O-N 3.25Å; I379-D383 HydrophobicContact CG2-CB 4.14Å; I379-F384 HydrophobicContact CD1-CD2 4.04Å; I379-F384 HydrophobicContact CD1-CE2 4.49Å; I379-F384 HydrophobicContact CG2-CB 3.74Å; I379-F384 HydrophobicContact CG2-CD2 4.09Å; I379-F384 HydrophobicContact CG2-CG 4.43Å |
| 380 | K | 37 | Very low | 36.4 | Very low | 132 Ų | 132 | 92.5 Ų | 92.5 | 57% | 0.574 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 135.2 | 165.7 | -74.1 | 177.6 | -179.3 | 170.1 | 0 | 107.8 | D382 D383 F384 | K380-D382 PolarHBondContact O-N 3.42Å; K380-D382 VanDerWaalsContact O-N 3.08Å; K380-D383 HydrophobicContact CB-CB 4.38Å; K380-D383 WeakPolarHBondContact O-CA 3.44Å; K380-D383 WeakPolarHBondContact O-CB 3.07Å; K380-D383 PolarHBondContact O-N 3.48Å; K380-F384 PolarHBondContact O-N 2.99Å |
| 381 | V | 38.8 | Very low | 36.6 | Very low | 20 Ų | 20 | 93 Ų | 93 | 12% | 0.121 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -55.1 | -30.7 | 179.4 | 165.9 | 0 | 0 | 0 | 0 | 112.4 | G368 L370 I379 F384 Y385 | G368-V381 VanDerWaalsContact CA-CG2 3.48Å; G368-V381 WeakPolarHBondContact O-CG2 3.27Å; G368-V381 PolarHBondContact O-N 3.16Å; G368-V381 VanDerWaalsContact O-N 3.1Å; L370-V381 HydrophobicContact CD1-CG2 4.48Å; I379-V381 PolarHBondContact O-N 3.25Å; V381-F384 PolarHBondContact O-N 3.49Å; V381-Y385 HydrophobicContact CG1-CD2 3.81Å; V381-Y385 HydrophobicContact CG1-CE2 3.53Å; V381-Y385 WeakPolarHBondContact O-CD2 3.24Å; V381-Y385 PolarHBondContact O-N 2.74Å; V381-Y385 VanDerWaalsContact O-N 3.15Å |
| 382 | D | 37.1 | Very low | 36.6 | Very low | 130 Ų | 130 | 91.3 Ų | 91.3 | 70% | 0.695 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 172.8 | -60.6 | -33.3 | 0 | 0 | 0 | 112.5 | K380 F384 E386 | K380-D382 PolarHBondContact O-N 3.42Å; K380-D382 VanDerWaalsContact O-N 3.08Å; D382-F384 VanDerWaalsContact C-N 3.34Å; D382-E386 PolarHBondContact O-N 2.92Å |
| 383 | D | 39.5 | Very low | 36.5 | Very low | 72 Ų | 72 | 92.2 Ų | 92.2 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.9 | -26.3 | 175.4 | -66 | -30.1 | 0 | 0 | 0 | 112.1 | I379 K380 R387 | I379-D383 HydrophobicContact CG2-CB 4.14Å; K380-D383 HydrophobicContact CB-CB 4.38Å; K380-D383 WeakPolarHBondContact O-CA 3.44Å; K380-D383 WeakPolarHBondContact O-CB 3.07Å; K380-D383 PolarHBondContact O-N 3.48Å; D383-R387 VanDerWaalsContact O-CB 3.25Å; D383-R387 WeakPolarHBondContact O-CB 3.5Å; D383-R387 VanDerWaalsContact O-CG 3.32Å; D383-R387 WeakPolarHBondContact O-CG 3.22Å; D383-R387 PolarHBondContact O-N 3.22Å |
| 384 | F | 37.7 | Very low | 36.6 | Very low | 54 Ų | 54 | 91 Ų | 91 | 24% | 0.237 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -72.4 | -38.5 | 177.6 | -167.6 | -103.7 | 0 | 0 | 0 | 111.9 | L370 I379 K380 V381 D382 M388 | L370-F384 HydrophobicContact CD1-CD1 3.71Å; L370-F384 HydrophobicContact CD1-CE1 3.76Å; L370-F384 HydrophobicContact CD1-CG 4.24Å; L370-F384 HydrophobicContact CD1-CZ 4.35Å; L370-F384 HydrophobicContact CD2-CZ 4.46Å; I379-F384 HydrophobicContact CD1-CD2 4.04Å; I379-F384 HydrophobicContact CD1-CE2 4.49Å; I379-F384 HydrophobicContact CG2-CB 3.74Å; I379-F384 HydrophobicContact CG2-CD2 4.09Å; I379-F384 HydrophobicContact CG2-CG 4.43Å; K380-F384 PolarHBondContact O-N 2.99Å; V381-F384 PolarHBondContact O-N 3.49Å; D382-F384 VanDerWaalsContact C-N 3.34Å; F384-M388 HydrophobicContact CD1-CE 3.45Å; F384-M388 VanDerWaalsContact CD1-CE 3.45Å; F384-M388 HydrophobicContact CD1-CG 4.5Å; F384-M388 HydrophobicContact CD1-SD 4.28Å; F384-M388 HydrophobicContact CE1-CE 3.16Å; F384-M388 HydrophobicContact CE1-CG 4.2Å; F384-M388 HydrophobicContact CE1-SD 3.57Å; F384-M388 VanDerWaalsContact CE1-SD 3.57Å; F384-M388 HydrophobicContact CZ-CE 4.08Å; F384-M388 HydrophobicContact CZ-CG 4.31Å; F384-M388 HydrophobicContact CZ-SD 3.88Å; F384-M388 WeakPolarHBondContact O-CB 2.85Å; F384-M388 PolarHBondContact O-N 3.23Å |
| 385 | Y | 35.4 | Very low | 36.7 | Very low | 103 Ų | 103 | 93.2 Ų | 93.2 | 40% | 0.404 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.5 | -36.3 | 173.8 | -79.1 | -70.5 | 0 | 0 | 0 | 112.2 | L343 V381 S389 | L343-Y385 HydrophobicContact CD2-CE1 3.85Å; L343-Y385 HydrophobicContact CD2-CE2 4.44Å; V381-Y385 HydrophobicContact CG1-CD2 3.81Å; V381-Y385 HydrophobicContact CG1-CE2 3.53Å; V381-Y385 WeakPolarHBondContact O-CD2 3.24Å; V381-Y385 PolarHBondContact O-N 2.74Å; V381-Y385 VanDerWaalsContact O-N 3.15Å; Y385-S389 WeakPolarHBondContact O-CB 3.38Å; Y385-S389 PolarHBondContact O-N 3.08Å |
| 386 | E | 37.2 | Very low | 36.8 | Very low | 124 Ų | 124 | 94.8 Ų | 94.8 | 58% | 0.579 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.9 | -42.6 | 175 | -139.6 | 174.4 | -163.3 | 0 | 0 | 111.5 | D382 S389 I390 | D382-E386 PolarHBondContact O-N 2.92Å; E386-S389 PolarHBondContact O-N 3.26Å; E386-S389 PolarHBondContact O-OG 3.02Å; E386-I390 HydrophobicContact CG-CD1 4.49Å; E386-I390 WeakPolarHBondContact O-CB 3.35Å; E386-I390 WeakPolarHBondContact O-CD1 3.46Å; E386-I390 WeakPolarHBondContact O-CG1 3.26Å; E386-I390 PolarHBondContact O-N 3.14Å |
| 387 | R | 39.9 | Very low | 36.8 | Very low | 145 Ų | 145 | 91 Ų | 91 | 55% | 0.547 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.1 | -37.3 | 174.8 | -76.2 | -178.3 | 178.9 | -172.1 | 1.1 | 113.1 | E377 D383 V391 | E377-R387 IonicContact OE2-NH1 3.84Å; D383-R387 VanDerWaalsContact O-CB 3.25Å; D383-R387 WeakPolarHBondContact O-CB 3.5Å; D383-R387 VanDerWaalsContact O-CG 3.32Å; D383-R387 WeakPolarHBondContact O-CG 3.22Å; D383-R387 PolarHBondContact O-N 3.22Å; R387-V391 VanDerWaalsContact O-CB 3.3Å; R387-V391 WeakPolarHBondContact O-CB 3.01Å; R387-V391 WeakPolarHBondContact O-CG2 3.5Å; R387-V391 PolarHBondContact O-N 3.43Å |
| 388 | M | 36.1 | Very low | 37 | Very low | 89 Ų | 89 | 90.4 Ų | 90.4 | 44% | 0.438 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73.1 | -32.3 | 174.4 | -83.3 | -161.1 | -55 | 0 | 0 | 113.1 | F384 I390 S392 | F384-M388 HydrophobicContact CD1-CE 3.45Å; F384-M388 VanDerWaalsContact CD1-CE 3.45Å; F384-M388 HydrophobicContact CD1-CG 4.5Å; F384-M388 HydrophobicContact CD1-SD 4.28Å; F384-M388 HydrophobicContact CE1-CE 3.16Å; F384-M388 HydrophobicContact CE1-CG 4.2Å; F384-M388 HydrophobicContact CE1-SD 3.57Å; F384-M388 VanDerWaalsContact CE1-SD 3.57Å; F384-M388 HydrophobicContact CZ-CE 4.08Å; F384-M388 HydrophobicContact CZ-CG 4.31Å; F384-M388 HydrophobicContact CZ-SD 3.88Å; F384-M388 WeakPolarHBondContact O-CB 2.85Å; F384-M388 PolarHBondContact O-N 3.23Å; M388-I390 VanDerWaalsContact C-N 3.35Å; M388-S392 WeakPolarHBondContact O-CB 3.39Å; M388-S392 PolarHBondContact O-N 3.17Å; M388-S392 PolarHBondContact O-OG 3.41Å |
| 389 | S | 31.7 | Very low | 37.2 | Very low | 58 Ų | 58 | 91.9 Ų | 91.9 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.7 | -37.6 | 174.4 | 88.1 | 0 | 0 | 0 | 0 | 111 | Y385 E386 S392 S393 | Y385-S389 WeakPolarHBondContact O-CB 3.38Å; Y385-S389 PolarHBondContact O-N 3.08Å; E386-S389 PolarHBondContact O-N 3.26Å; E386-S389 PolarHBondContact O-OG 3.02Å; S389-S392 PolarHBondContact O-OG 2.87Å; S389-S393 WeakPolarHBondContact O-CB 3.48Å; S389-S393 PolarHBondContact O-N 2.95Å; S389-S393 PolarHBondContact O-OG 3.47Å |
| 390 | I | 36.9 | Very low | 37.4 | Very low | 89 Ų | 89 | 93.8 Ų | 93.8 | 46% | 0.456 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72 | -41.7 | 176.2 | -65.4 | 166.1 | 0 | 0 | 0 | 111.1 | E386 M388 S393 I394 | E386-I390 HydrophobicContact CG-CD1 4.49Å; E386-I390 WeakPolarHBondContact O-CB 3.35Å; E386-I390 WeakPolarHBondContact O-CD1 3.46Å; E386-I390 WeakPolarHBondContact O-CG1 3.26Å; E386-I390 PolarHBondContact O-N 3.14Å; M388-I390 VanDerWaalsContact C-N 3.35Å; I390-S393 PolarHBondContact O-N 3.3Å; I390-I394 HydrophobicContact CG2-CD1 3.6Å; I390-I394 HydrophobicContact CG2-CG1 4.37Å; I390-I394 WeakPolarHBondContact O-CB 3.37Å; I390-I394 WeakPolarHBondContact O-CD1 3.39Å; I390-I394 WeakPolarHBondContact O-CG1 3.45Å; I390-I394 PolarHBondContact O-N 3.47Å |
| 391 | V | 38 | Very low | 37.8 | Very low | 90 Ų | 90 | 91.4 Ų | 91.4 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -73.7 | -34.3 | 179.1 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | R387 K395 | R387-V391 VanDerWaalsContact O-CB 3.3Å; R387-V391 WeakPolarHBondContact O-CB 3.01Å; R387-V391 WeakPolarHBondContact O-CG2 3.5Å; R387-V391 PolarHBondContact O-N 3.43Å; V391-K395 WeakPolarHBondContact O-CB 3.34Å; V391-K395 PolarHBondContact O-N 2.93Å |
| 392 | S | 34.7 | Very low | 38.1 | Very low | 57 Ų | 57 | 96 Ų | 96 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.4 | -37.4 | 172.1 | 59.7 | 0 | 0 | 0 | 0 | 111.9 | M388 S389 K395 Q396 | M388-S392 WeakPolarHBondContact O-CB 3.39Å; M388-S392 PolarHBondContact O-N 3.17Å; M388-S392 PolarHBondContact O-OG 3.41Å; S389-S392 PolarHBondContact O-OG 2.87Å; S392-K395 PolarHBondContact O-N 3.32Å; S392-Q396 VanDerWaalsContact O-CB 3.28Å; S392-Q396 WeakPolarHBondContact O-CB 3.24Å; S392-Q396 VanDerWaalsContact O-CG 3.28Å; S392-Q396 WeakPolarHBondContact O-CG 3.48Å; S392-Q396 PolarHBondContact O-N 2.82Å |
| 393 | S | 32.1 | Very low | 38.5 | Very low | 66 Ų | 66 | 96.4 Ų | 96.4 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 174.4 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | S389 I390 L397 | S389-S393 WeakPolarHBondContact O-CB 3.48Å; S389-S393 PolarHBondContact O-N 2.95Å; S389-S393 PolarHBondContact O-OG 3.47Å; I390-S393 PolarHBondContact O-N 3.3Å; S393-L397 VanDerWaalsContact O-CB 3.32Å; S393-L397 WeakPolarHBondContact O-CB 3.31Å; S393-L397 PolarHBondContact O-N 3.1Å |
| 394 | I | 39.3 | Very low | 38.5 | Very low | 98 Ų | 98 | 102.1 Ų | 102.1 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.2 | -36.3 | 176.9 | -69.2 | 168.3 | 0 | 0 | 0 | 111.4 | I390 L397 N398 | I390-I394 HydrophobicContact CG2-CD1 3.6Å; I390-I394 HydrophobicContact CG2-CG1 4.37Å; I390-I394 WeakPolarHBondContact O-CB 3.37Å; I390-I394 WeakPolarHBondContact O-CD1 3.39Å; I390-I394 WeakPolarHBondContact O-CG1 3.45Å; I390-I394 PolarHBondContact O-N 3.47Å; I394-L397 PolarHBondContact O-N 3.23Å; I394-N398 WeakPolarHBondContact O-CB 3.39Å; I394-N398 PolarHBondContact O-N 3.39Å |
| 395 | K | 38.3 | Very low | 38.5 | Very low | 142 Ų | 142 | 109.3 Ų | 109.3 | 62% | 0.617 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -76.6 | -30.7 | 177.8 | -153.4 | 174 | -170.9 | 178.7 | 0 | 112.4 | V391 S392 N399 | V391-K395 WeakPolarHBondContact O-CB 3.34Å; V391-K395 PolarHBondContact O-N 2.93Å; S392-K395 PolarHBondContact O-N 3.32Å; K395-N399 VanDerWaalsContact O-CB 3.26Å; K395-N399 WeakPolarHBondContact O-CB 3.25Å; K395-N399 VanDerWaalsContact O-CG 3.24Å; K395-N399 PolarHBondContact O-N 3.29Å |
| 396 | Q | 40 | Very low | 38.6 | Very low | 140 Ų | 140 | 109.7 Ų | 109.7 | 65% | 0.654 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.9 | -37 | 167.3 | -76.8 | -179.6 | -8 | 0 | 0 | 111.6 | S392 A400 | S392-Q396 VanDerWaalsContact O-CB 3.28Å; S392-Q396 WeakPolarHBondContact O-CB 3.24Å; S392-Q396 VanDerWaalsContact O-CG 3.28Å; S392-Q396 WeakPolarHBondContact O-CG 3.48Å; S392-Q396 PolarHBondContact O-N 2.82Å; Q396-A400 WeakPolarHBondContact O-CB 3.36Å; Q396-A400 PolarHBondContact O-N 3.18Å |
| 397 | L | 36.6 | Very low | 38.7 | Very low | 115 Ų | 115 | 108.9 Ų | 108.9 | 60% | 0.602 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67 | -45.9 | 174.4 | -141.2 | 89.8 | 0 | 0 | 0 | 111.4 | S393 I394 A400 I401 | S393-L397 VanDerWaalsContact O-CB 3.32Å; S393-L397 WeakPolarHBondContact O-CB 3.31Å; S393-L397 PolarHBondContact O-N 3.1Å; I394-L397 PolarHBondContact O-N 3.23Å; L397-A400 PolarHBondContact O-N 3.49Å; L397-I401 HydrophobicContact CD2-CD1 4.16Å; L397-I401 HydrophobicContact CG-CD1 4.25Å; L397-I401 WeakPolarHBondContact O-CB 3.37Å; L397-I401 WeakPolarHBondContact O-CD1 3.49Å; L397-I401 WeakPolarHBondContact O-CG1 3.4Å; L397-I401 PolarHBondContact O-N 2.63Å |
| 398 | N | 35.5 | Very low | 38.7 | Very low | 93 Ų | 93 | 106.9 Ų | 106.9 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.5 | -42.7 | 177.3 | -106.6 | 15 | 0 | 0 | 0 | 112.1 | I394 A400 I401 D402 | I394-N398 WeakPolarHBondContact O-CB 3.39Å; I394-N398 PolarHBondContact O-N 3.39Å; N398-A400 VanDerWaalsContact C-N 3.26Å; N398-A400 PolarHBondContact O-N 2.96Å; N398-I401 PolarHBondContact O-N 3.42Å; N398-D402 WeakPolarHBondContact O-CB 3.34Å; N398-D402 PolarHBondContact O-N 3.32Å |
| 399 | N | 42.8 | Very low | 38.8 | Very low | 93 Ų | 93 | 107.9 Ų | 107.9 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.1 | -24.2 | 175.2 | -73.5 | -6.4 | 0 | 0 | 0 | 112.7 | K395 I403 | K395-N399 VanDerWaalsContact O-CB 3.26Å; K395-N399 WeakPolarHBondContact O-CB 3.25Å; K395-N399 VanDerWaalsContact O-CG 3.24Å; K395-N399 PolarHBondContact O-N 3.29Å; N399-I403 WeakPolarHBondContact O-CD1 2.95Å; N399-I403 WeakPolarHBondContact O-CG1 3.47Å |
| 400 | A | 40.7 | Very low | 39.3 | Very low | 60 Ų | 60 | 111.1 Ų | 111.1 | 50% | 0.496 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -80.5 | -25.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q396 L397 N398 | Q396-A400 WeakPolarHBondContact O-CB 3.36Å; Q396-A400 PolarHBondContact O-N 3.18Å; L397-A400 PolarHBondContact O-N 3.49Å; N398-A400 VanDerWaalsContact C-N 3.26Å; N398-A400 PolarHBondContact O-N 2.96Å |
| 401 | I | 46.1 | Very low | 39.4 | Very low | 81 Ų | 81 | 112.5 Ų | 112.5 | 42% | 0.415 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -80.3 | -38.2 | 174.8 | -68.8 | 164.4 | 0 | 0 | 0 | 110.5 | L397 N398 I403 K404 | L397-I401 HydrophobicContact CD2-CD1 4.16Å; L397-I401 HydrophobicContact CG-CD1 4.25Å; L397-I401 WeakPolarHBondContact O-CB 3.37Å; L397-I401 WeakPolarHBondContact O-CD1 3.49Å; L397-I401 WeakPolarHBondContact O-CG1 3.4Å; L397-I401 PolarHBondContact O-N 2.63Å; N398-I401 PolarHBondContact O-N 3.42Å; I401-I403 PolarHBondContact O-N 3.4Å; I401-K404 PolarHBondContact O-N 3.12Å |
| 402 | D | 45.7 | Very low | 39.5 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -0.6 | 175.8 | -79.7 | -20.4 | 0 | 0 | 0 | 114.2 | N398 | N398-D402 WeakPolarHBondContact O-CB 3.34Å; N398-D402 PolarHBondContact O-N 3.32Å |
| 403 | I | 45.2 | Very low | 39.9 | Very low | 138 Ų | 138 | 118.5 Ų | 118.5 | 71% | 0.708 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 6.6 | 174.6 | -65 | 172.7 | 0 | 0 | 0 | 111.3 | N399 I401 | N399-I403 WeakPolarHBondContact O-CD1 2.95Å; N399-I403 WeakPolarHBondContact O-CG1 3.47Å; I401-I403 PolarHBondContact O-N 3.4Å |
| 404 | K | 38.3 | Very low | 40.5 | Very low | 193 Ų | 193 | 122.9 Ų | 122.9 | 84% | 0.839 | 63% | 0.625 | S | S | * | * | trans | -134.4 | 20.5 | 179.5 | -91.5 | -171.9 | 176.3 | -177.7 | 0 | 115.9 | I401 | I401-K404 PolarHBondContact O-N 3.12Š| ||
| 405 | I | 38 | Very low | 40.6 | Very low | 205 Ų | 205 | 125.2 Ų | 125.2 | 100% | 1.051 | 64% | 0.637 | S | S | * | * | trans | -121.4 | 0 | 161 | -55.1 | 175.9 | 0 | 0 | 0 | 106.5 |
Retrieved 405 of 405 residues in 537.6 ms
(Link to these results)