| 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 | 31.2 | Very low | 34.4 | Very low | 231 Ų | 231 | 131.1 Ų | 131.1 | 100% | 1.138 | 75% | 0.746 | S | S | * | * | 0 | 124.8 | 0 | -119.2 | -179 | -88.9 | 0 | 0 | 107.5 | |||||
| 2 | I | 26.9 | Very low | 35.8 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | trans | 76.5 | 84.7 | 159.6 | -50.3 | 175.5 | 0 | 0 | 0 | 116.6 | ||||
| 3 | S | 26.4 | Very low | 36.6 | Very low | 106 Ų | 106 | 119.4 Ų | 119.4 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | 36.2 | 108.2 | 123.6 | 62.3 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 4 | S | 29.9 | Very low | 37.5 | Very low | 106 Ų | 106 | 115.9 Ų | 115.9 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | trans | -175.5 | 63.9 | 141.3 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | I | 32.6 | Very low | 38.9 | Very low | 156 Ų | 156 | 115.1 Ų | 115.1 | 80% | 0.8 | 66% | 0.662 | S | S | * | * | trans | -116.6 | 97.3 | 171.4 | -57 | 172.2 | 0 | 0 | 0 | 104.8 | ||||
| 6 | N | 32.2 | Very low | 40.3 | Very low | 157 Ų | 157 | 108.7 Ų | 108.7 | 84% | 0.84 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 157.4 | 2.9 | 158.8 | -81.7 | -7.8 | 0 | 0 | 0 | 115.2 | ||
| 7 | A | 32.7 | Very low | 40.9 | Very low | 84 Ų | 84 | 107.1 Ų | 107.1 | 69% | 0.694 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -105 | 8.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S11 | A7-S11 PolarHBondContact O-OG 3.24Å; A7-S11 VanDerWaalsContact O-OG 3.08Å |
| 8 | T | 42.5 | Very low | 41.4 | Very low | 79 Ų | 79 | 106.1 Ų | 106.1 | 49% | 0.485 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -90.4 | -15.1 | -166 | 47.4 | 0 | 0 | 0 | 0 | 115.2 | S11 S12 | T8-S11 PolarHBondContact O-OG 2.95Å; T8-S12 VanDerWaalsContact O-CB 3.23Å; T8-S12 WeakPolarHBondContact O-CB 3.4Å; T8-S12 PolarHBondContact O-OG 3.05Å |
| 9 | N | 37.1 | Very low | 42 | Very low | 139 Ų | 139 | 103.2 Ų | 103.2 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -86.6 | -36.3 | -172.4 | -79.1 | 1.9 | 0 | 0 | 0 | 114.7 | S13 | N9-S13 PolarHBondContact O-N 2.87Å |
| 10 | E | 38.7 | Very low | 42.7 | Very low | 168 Ų | 168 | 102.1 Ų | 102.1 | 79% | 0.785 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -80.7 | -32.6 | 178 | -75.7 | -177.4 | 155.8 | 0 | 0 | 113.5 | S12 S13 S14 | E10-S12 VanDerWaalsContact C-N 3.29Å; E10-S12 PolarHBondContact O-N 2.79Å; E10-S13 PolarHBondContact O-OG 2.77Å; E10-S13 VanDerWaalsContact O-OG 3.13Å; E10-S14 WeakPolarHBondContact O-CB 3.49Å; E10-S14 PolarHBondContact O-N 3.14Å; E10-S14 PolarHBondContact O-OG 2.98Å |
| 11 | S | 48.2 | Very low | 43.1 | Very low | 70 Ų | 70 | 100 Ų | 100 | 49% | 0.49 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.5 | -30.5 | 175 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | A7 T8 F15 | A7-S11 PolarHBondContact O-OG 3.24Å; A7-S11 VanDerWaalsContact O-OG 3.08Å; T8-S11 PolarHBondContact O-OG 2.95Å; S11-F15 PolarHBondContact O-N 3.37Å |
| 12 | S | 50.5 | Low | 44 | Very low | 48 Ų | 48 | 92.1 Ų | 92.1 | 34% | 0.336 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -82.1 | -35.6 | -177.1 | -61 | 0 | 0 | 0 | 0 | 113.7 | T8 E10 S14 F15 C16 | T8-S12 VanDerWaalsContact O-CB 3.23Å; T8-S12 WeakPolarHBondContact O-CB 3.4Å; T8-S12 PolarHBondContact O-OG 3.05Å; E10-S12 VanDerWaalsContact C-N 3.29Å; E10-S12 PolarHBondContact O-N 2.79Å; S12-S14 VanDerWaalsContact C-N 3.3Å; S12-F15 WeakPolarHBondContact O-CB 3.5Å; S12-F15 PolarHBondContact O-N 3.49Å; S12-C16 PolarHBondContact O-N 2.69Å |
| 13 | S | 47.4 | Very low | 45.3 | Very low | 62 Ų | 62 | 85.8 Ų | 85.8 | 43% | 0.434 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 171.3 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | N9 E10 F15 C16 V17 | N9-S13 PolarHBondContact O-N 2.87Å; E10-S13 PolarHBondContact O-OG 2.77Å; E10-S13 VanDerWaalsContact O-OG 3.13Å; S13-F15 PolarHBondContact O-N 3.44Å; S13-C16 PolarHBondContact O-N 3.2Å; S13-V17 WeakPolarHBondContact O-CG2 3.33Å; S13-V17 PolarHBondContact O-N 3.33Å; S13-V17 VanDerWaalsContact O-N 3.14Å |
| 14 | S | 48.7 | Very low | 46.7 | Very low | 71 Ų | 71 | 81.4 Ų | 81.4 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.4 | -33.2 | 172.4 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | E10 S12 Y18 | E10-S14 WeakPolarHBondContact O-CB 3.49Å; E10-S14 PolarHBondContact O-N 3.14Å; E10-S14 PolarHBondContact O-OG 2.98Å; S12-S14 VanDerWaalsContact C-N 3.3Å; S14-Y18 WeakPolarHBondContact O-CA 3.36Å; S14-Y18 WeakPolarHBondContact O-CB 3.36Å; S14-Y18 PolarHBondContact O-N 2.93Å |
| 15 | F | 57.8 | Low | 47.9 | Very low | 104 Ų | 104 | 78 Ų | 78 | 46% | 0.456 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 177.4 | -176.5 | -98.7 | 0 | 0 | 0 | 113.2 | S11 S12 S13 Y18 S19 A276 | S11-F15 PolarHBondContact O-N 3.37Å; S12-F15 WeakPolarHBondContact O-CB 3.5Å; S12-F15 PolarHBondContact O-N 3.49Å; S13-F15 PolarHBondContact O-N 3.44Å; F15-Y18 PolarHBondContact O-N 3Å; F15-S19 VanDerWaalsContact O-CB 3.27Å; F15-S19 WeakPolarHBondContact O-CB 3.38Å; F15-S19 PolarHBondContact O-N 3.13Å; F15-A276 HydrophobicContact CE2-CB 4.07Å |
| 16 | C | 61.2 | Low | 49.2 | Very low | 12 Ų | 12 | 76.9 Ų | 76.9 | 8% | 0.081 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 175.9 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | S12 S13 Q20 Q175 C176 | S12-C16 PolarHBondContact O-N 2.69Å; S13-C16 PolarHBondContact O-N 3.2Å; C16-Q20 PolarHBondContact O-N 3.31Å; C16-Q175 PolarHBondContact SG-O 3.36Å; C16-C176 HydrophobicContact CB-CB 3.65Å; C16-C176 WeakPolarHBondContact CB-SG 3.42Å; C16-C176 WeakPolarHBondContact SG-CA 3.46Å; C16-C176 WeakPolarHBondContact SG-CB 3.36Å; C16-C176 PolarHBondContact SG-N 3.39Å; C16-C176 VanDerWaalsContact SG-N 3.44Å; C16-C176 CovalentContact SG-SG 2.03Å; C16-C176 PolarHBondContact SG-SG 2.77Å |
| 17 | V | 51 | Low | 51.2 | Low | 81 Ų | 81 | 75.2 Ų | 75.2 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.1 | -48.5 | 175 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | S13 S19 Q20 T21 | S13-V17 WeakPolarHBondContact O-CG2 3.33Å; S13-V17 PolarHBondContact O-N 3.33Å; S13-V17 VanDerWaalsContact O-N 3.14Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.15Å; V17-Q20 CarbonylContact O-C 3.43Å; V17-Q20 WeakPolarHBondContact O-CA 3.34Å; V17-Q20 PolarHBondContact O-N 2.86Å; V17-T21 HydrophobicContact CG1-CG2 3.7Å; V17-T21 VanDerWaalsContact O-CB 3.31Å; V17-T21 WeakPolarHBondContact O-CB 3.34Å; V17-T21 VanDerWaalsContact O-CG2 3.3Å; V17-T21 WeakPolarHBondContact O-CG2 3.32Å; V17-T21 PolarHBondContact O-N 2.82Å; V17-T21 PolarHBondContact O-OG1 3.17Å |
| 18 | Y | 49.7 | Very low | 53.6 | Low | 90 Ų | 90 | 76.4 Ų | 76.4 | 35% | 0.353 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61 | -39 | -178.5 | -174.2 | -89.8 | 0 | 0 | 0 | 113.1 | S14 F15 Q20 T21 V22 A276 | S14-Y18 WeakPolarHBondContact O-CA 3.36Å; S14-Y18 WeakPolarHBondContact O-CB 3.36Å; S14-Y18 PolarHBondContact O-N 2.93Å; F15-Y18 PolarHBondContact O-N 3Å; Y18-Q20 VanDerWaalsContact C-N 3.29Å; Y18-Q20 PolarHBondContact O-N 3.18Å; Y18-T21 PolarHBondContact O-N 3.06Å; Y18-V22 HydrophobicContact CD1-CB 4.34Å; Y18-V22 HydrophobicContact CD2-CB 3.65Å; Y18-V22 HydrophobicContact CD2-CG1 4.08Å; Y18-V22 HydrophobicContact CD2-CG2 3.34Å; Y18-V22 HydrophobicContact CE1-CB 4.29Å; Y18-V22 HydrophobicContact CE2-CB 3.59Å; Y18-V22 HydrophobicContact CE2-CG1 3.51Å; Y18-V22 HydrophobicContact CE2-CG2 3.68Å; Y18-V22 HydrophobicContact CG-CB 4.03Å; Y18-V22 HydrophobicContact CG-CG2 3.92Å; Y18-V22 PolarHBondContact O-N 3.01Å; Y18-A276 WeakPolarHBondContact CE1-O 3.02Å |
| 19 | S | 53.9 | Low | 55.7 | Low | 51 Ų | 51 | 82.3 Ų | 82.3 | 36% | 0.357 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 173.1 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | F15 V17 | F15-S19 VanDerWaalsContact O-CB 3.27Å; F15-S19 WeakPolarHBondContact O-CB 3.38Å; F15-S19 PolarHBondContact O-N 3.13Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.15Å |
| 20 | Q | 55.1 | Low | 58 | Low | 80 Ų | 80 | 76.7 Ų | 76.7 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -85.6 | -24.2 | 177.4 | -68.1 | -172.6 | -7.7 | 0 | 0 | 114.8 | C16 V17 Y18 H25 | C16-Q20 PolarHBondContact O-N 3.31Å; V17-Q20 CarbonylContact O-C 3.43Å; V17-Q20 WeakPolarHBondContact O-CA 3.34Å; V17-Q20 PolarHBondContact O-N 2.86Å; Y18-Q20 VanDerWaalsContact C-N 3.29Å; Y18-Q20 PolarHBondContact O-N 3.18Å; Q20-H25 WeakPolarHBondContact O-CB 3.33Å; Q20-H25 VanDerWaalsContact O-CG 3.23Å |
| 21 | T | 50.7 | Low | 60.2 | Low | 58 Ų | 58 | 71.1 Ų | 71.1 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -116.4 | -10.5 | -167.9 | 64.3 | 0 | 0 | 0 | 0 | 115 | V17 Y18 H26 | V17-T21 HydrophobicContact CG1-CG2 3.7Å; V17-T21 VanDerWaalsContact O-CB 3.31Å; V17-T21 WeakPolarHBondContact O-CB 3.34Å; V17-T21 VanDerWaalsContact O-CG2 3.3Å; V17-T21 WeakPolarHBondContact O-CG2 3.32Å; V17-T21 PolarHBondContact O-N 2.82Å; V17-T21 PolarHBondContact O-OG1 3.17Å; Y18-T21 PolarHBondContact O-N 3.06Å; T21-H26 PolarHBondContact O-CD2 3.18Å; T21-H26 PolarHBondContact O-NE2 3.48Å |
| 22 | V | 51.6 | Low | 62.2 | Low | 66 Ų | 66 | 71 Ų | 71 | 40% | 0.4 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -5.8 | -174.7 | -163.3 | 0 | 0 | 0 | 0 | 113.5 | Y18 S278 | Y18-V22 HydrophobicContact CD1-CB 4.34Å; Y18-V22 HydrophobicContact CD2-CB 3.65Å; Y18-V22 HydrophobicContact CD2-CG1 4.08Å; Y18-V22 HydrophobicContact CD2-CG2 3.34Å; Y18-V22 HydrophobicContact CE1-CB 4.29Å; Y18-V22 HydrophobicContact CE2-CB 3.59Å; Y18-V22 HydrophobicContact CE2-CG1 3.51Å; Y18-V22 HydrophobicContact CE2-CG2 3.68Å; Y18-V22 HydrophobicContact CG-CB 4.03Å; Y18-V22 HydrophobicContact CG-CG2 3.92Å; Y18-V22 PolarHBondContact O-N 3.01Å; V22-S278 WeakPolarHBondContact O-CB 3.17Å |
| 23 | G | 53.4 | Low | 64.1 | Low | 13 Ų | 13 | 73.1 Ų | 73.1 | 13% | 0.134 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -82.9 | -171.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H25 H26 | G23-H25 PolarHBondContact O-N 3.27Å; G23-H26 PolarHBondContact O-N 2.85Å |
| 24 | M | 54.9 | Low | 66.3 | Low | 14 Ų | 14 | 70.3 Ų | 70.3 | 7% | 0.069 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -9 | 172.4 | -80 | -151.5 | -62.8 | 0 | 0 | 115.3 | H26 Q27 A30 K31 F34 V281 F282 L285 | M24-H26 PolarHBondContact O-N 3.3Å; M24-Q27 PolarHBondContact O-N 2.69Å; M24-A30 HydrophobicContact SD-CB 4.08Å; M24-K31 WeakPolarHBondContact O-CE 3.36Å; M24-F34 HydrophobicContact CE-CD2 3.85Å; M24-F34 HydrophobicContact CE-CE2 3.76Å; M24-F34 HydrophobicContact CE-CZ 4.32Å; M24-F34 HydrophobicContact SD-CD2 3.55Å; M24-F34 VanDerWaalsContact SD-CD2 3.55Å; M24-F34 HydrophobicContact SD-CE2 3.26Å; M24-F34 WeakPolarHBondContact SD-CE2 3.16Å; M24-F34 HydrophobicContact SD-CZ 4.21Å; M24-V281 HydrophobicContact CE-CG1 4.23Å; M24-F282 HydrophobicContact CG-CB 4.01Å; M24-F282 HydrophobicContact CG-CD2 4.18Å; M24-F282 HydrophobicContact SD-CB 4.25Å; M24-F282 HydrophobicContact SD-CD2 3.67Å; M24-F282 HydrophobicContact SD-CG 4.43Å; M24-L285 HydrophobicContact CE-CB 3.99Å; M24-L285 HydrophobicContact CE-CD1 3.17Å; M24-L285 HydrophobicContact CE-CG 4.11Å |
| 25 | H | 56.4 | Low | 68.4 | Low | 35 Ų | 35 | 70.5 Ų | 70.5 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | -33.7 | 171 | -76.5 | -87.9 | 0 | 0 | 0 | 115.2 | Q20 G23 K31 G92 Y93 | Q20-H25 WeakPolarHBondContact O-CB 3.33Å; Q20-H25 VanDerWaalsContact O-CG 3.23Å; G23-H25 PolarHBondContact O-N 3.27Å; H25-K31 VanDerWaalsContact C-CE 3.49Å; H25-K31 WeakPolarHBondContact O-CE 3.38Å; H25-K31 PolarHBondContact O-NZ 3.04Å; H25-G92 PolarHBondContact NE2-O 3.41Å; H25-Y93 PolarHBondContact CE1-O 2.89Å |
| 26 | H | 59.3 | Low | 70.2 | Confident | 132 Ų | 132 | 70.9 Ų | 70.9 | 61% | 0.611 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -96.4 | -18.9 | 179 | -83.1 | -87.9 | 0 | 0 | 0 | 115.7 | T21 G23 M24 I28 | T21-H26 PolarHBondContact O-CD2 3.18Å; T21-H26 PolarHBondContact O-NE2 3.48Å; G23-H26 PolarHBondContact O-N 2.85Å; M24-H26 PolarHBondContact O-N 3.3Å; H26-I28 PolarHBondContact O-N 3.16Å; H26-I28 VanDerWaalsContact O-N 3.1Å |
| 27 | Q | 75.2 | Confident | 71.8 | Confident | 123 Ų | 123 | 73.3 Ų | 73.3 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | trans | -87.6 | 84.5 | -177.1 | -63.7 | -66.9 | -2.9 | 0 | 0 | 110.4 | M24 W29 A30 K31 | M24-Q27 PolarHBondContact O-N 2.69Å; Q27-W29 PolarHBondContact O-N 2.84Å; Q27-W29 VanDerWaalsContact O-N 3.16Å; Q27-A30 HydrophobicContact CB-CB 3.82Å; Q27-A30 WeakPolarHBondContact O-CB 3.2Å; Q27-A30 PolarHBondContact O-N 3.42Å; Q27-K31 PolarHBondContact O-N 2.88Å; Q27-K31 VanDerWaalsContact O-N 3.09Å | ||
| 28 | I | 82.3 | Confident | 74 | Confident | 109 Ų | 109 | 69.8 Ų | 69.8 | 56% | 0.559 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -49.9 | -41.7 | 179.8 | -166.7 | 88.5 | 0 | 0 | 0 | 111.7 | H26 A30 K31 V32 | H26-I28 PolarHBondContact O-N 3.16Å; H26-I28 VanDerWaalsContact O-N 3.1Å; I28-A30 PolarHBondContact O-N 3.29Å; I28-K31 PolarHBondContact O-N 3.48Å; I28-V32 HydrophobicContact CG1-CG2 4.5Å; I28-V32 WeakPolarHBondContact O-CG2 3.32Å; I28-V32 PolarHBondContact O-N 2.82Å |
| 29 | W | 85.6 | Confident | 76.3 | Confident | 203 Ų | 203 | 68.9 Ų | 68.9 | 77% | 0.769 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.9 | -41.1 | 179.2 | -58.3 | 115.9 | 0 | 0 | 0 | 112.7 | Q27 L33 | Q27-W29 PolarHBondContact O-N 2.84Å; Q27-W29 VanDerWaalsContact O-N 3.16Å; W29-L33 VanDerWaalsContact O-CB 3.32Å; W29-L33 WeakPolarHBondContact O-CB 3.5Å; W29-L33 PolarHBondContact O-N 2.87Å |
| 30 | A | 85.4 | Confident | 78.3 | Confident | 21 Ų | 21 | 72.7 Ų | 72.7 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | M24 Q27 I28 V32 L33 F34 | M24-A30 HydrophobicContact SD-CB 4.08Å; Q27-A30 HydrophobicContact CB-CB 3.82Å; Q27-A30 WeakPolarHBondContact O-CB 3.2Å; Q27-A30 PolarHBondContact O-N 3.42Å; I28-A30 PolarHBondContact O-N 3.29Å; A30-V32 PolarHBondContact O-N 3Å; A30-L33 PolarHBondContact O-N 2.79Å; A30-F34 VanDerWaalsContact O-CD2 3.23Å; A30-F34 WeakPolarHBondContact O-CD2 3.38Å; A30-F34 PolarHBondContact O-N 2.85Å |
| 31 | K | 85.3 | Confident | 80.3 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 22% | 0.217 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 176.3 | -65 | -173.1 | -174.1 | 178.7 | 0 | 112.1 | M24 H25 Q27 I28 L33 F34 I35 Y93 | M24-K31 WeakPolarHBondContact O-CE 3.36Å; H25-K31 VanDerWaalsContact C-CE 3.49Å; H25-K31 WeakPolarHBondContact O-CE 3.38Å; H25-K31 PolarHBondContact O-NZ 3.04Å; Q27-K31 PolarHBondContact O-N 2.88Å; Q27-K31 VanDerWaalsContact O-N 3.09Å; I28-K31 PolarHBondContact O-N 3.48Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.26Å; K31-F34 PolarHBondContact O-N 3.14Å; K31-I35 WeakPolarHBondContact O-CB 3.41Å; K31-I35 VanDerWaalsContact O-CG1 3.25Å; K31-I35 WeakPolarHBondContact O-CG1 3.26Å; K31-I35 PolarHBondContact O-N 3.46Å; K31-Y93 HydrophobicContact CB-CE1 4.31Å; K31-Y93 HydrophobicContact CD-CD1 4.44Å; K31-Y93 HydrophobicContact CG-CD1 4.24Å; K31-Y93 HydrophobicContact CG-CE1 4.13Å |
| 32 | V | 90.3 | Very high | 82.6 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 177.9 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | I28 A30 I35 L36 | I28-V32 HydrophobicContact CG1-CG2 4.5Å; I28-V32 WeakPolarHBondContact O-CG2 3.32Å; I28-V32 PolarHBondContact O-N 2.82Å; A30-V32 PolarHBondContact O-N 3Å; V32-I35 PolarHBondContact O-N 2.72Å; V32-L36 HydrophobicContact CG1-CD1 4.16Å; V32-L36 WeakPolarHBondContact O-CG 3.45Å; V32-L36 PolarHBondContact O-N 3.34Å |
| 33 | L | 91.9 | Very high | 84.7 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.7 | -50.5 | 176.5 | 177.5 | 63.3 | 0 | 0 | 0 | 111.8 | W29 A30 K31 I35 L36 L37 | W29-L33 VanDerWaalsContact O-CB 3.32Å; W29-L33 WeakPolarHBondContact O-CB 3.5Å; W29-L33 PolarHBondContact O-N 2.87Å; A30-L33 PolarHBondContact O-N 2.79Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.26Å; L33-I35 PolarHBondContact O-N 2.74Å; L33-L36 PolarHBondContact O-N 2.8Å; L33-L37 HydrophobicContact CD1-CD1 3.99Å; L33-L37 HydrophobicContact CD1-CG 4.19Å; L33-L37 HydrophobicContact CG-CD1 3.88Å; L33-L37 HydrophobicContact CG-CG 4.46Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.44Å; L33-L37 PolarHBondContact O-N 3.36Å |
| 34 | F | 91.8 | Very high | 86.8 | Confident | 3 Ų | 3 | 71.8 Ų | 71.8 | 1% | 0.013 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 178.8 | -84.8 | -76.9 | 0 | 0 | 0 | 112 | M24 A30 K31 L36 L37 Y38 Y93 F282 L285 M286 L289 | M24-F34 HydrophobicContact CE-CD2 3.85Å; M24-F34 HydrophobicContact CE-CE2 3.76Å; M24-F34 HydrophobicContact CE-CZ 4.32Å; M24-F34 HydrophobicContact SD-CD2 3.55Å; M24-F34 VanDerWaalsContact SD-CD2 3.55Å; M24-F34 HydrophobicContact SD-CE2 3.26Å; M24-F34 WeakPolarHBondContact SD-CE2 3.16Å; M24-F34 HydrophobicContact SD-CZ 4.21Å; A30-F34 VanDerWaalsContact O-CD2 3.23Å; A30-F34 WeakPolarHBondContact O-CD2 3.38Å; A30-F34 PolarHBondContact O-N 2.85Å; K31-F34 PolarHBondContact O-N 3.14Å; F34-L36 PolarHBondContact O-N 3.05Å; F34-L37 PolarHBondContact O-N 3.48Å; F34-Y38 HydrophobicContact CB-CD2 4.32Å; F34-Y38 HydrophobicContact CD1-CD2 4.33Å; F34-Y38 AromaticContact CD1-CE2 3.9Å; F34-Y38 HydrophobicContact CD1-CE2 3.9Å; F34-Y38 WeakPolarHBondContact O-CB 3.41Å; F34-Y38 VanDerWaalsContact O-CD2 3.24Å; F34-Y38 WeakPolarHBondContact O-CD2 3.43Å; F34-Y38 PolarHBondContact O-N 3.43Å; F34-Y93 WeakPolarHBondContact CB-OH 3.47Å; F34-F282 AromaticContact CE2-CD2 3.76Å; F34-F282 HydrophobicContact CE2-CD2 3.76Å; F34-F282 AromaticContact CE2-CE2 3.73Å; F34-F282 HydrophobicContact CE2-CE2 3.73Å; F34-F282 HydrophobicContact CZ-CD2 4.02Å; F34-F282 AromaticContact CZ-CE2 3.92Å; F34-F282 HydrophobicContact CZ-CE2 3.92Å; F34-L285 HydrophobicContact CD1-CB 4.38Å; F34-L285 HydrophobicContact CE1-CB 4.01Å; F34-L285 HydrophobicContact CZ-CB 4.34Å; F34-M286 HydrophobicContact CE1-CB 4.31Å; F34-M286 HydrophobicContact CE1-CE 4.15Å; F34-M286 HydrophobicContact CE1-SD 4.32Å; F34-M286 HydrophobicContact CZ-CB 4.18Å; F34-M286 HydrophobicContact CZ-CE 3.76Å; F34-M286 HydrophobicContact CZ-SD 4.44Å; F34-L289 HydrophobicContact CD1-CD2 4.19Å; F34-L289 HydrophobicContact CE1-CD2 4.28Å |
| 35 | I | 93.1 | Very high | 88.8 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 38% | 0.379 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.8 | -50.4 | 174.3 | -71.2 | 164.8 | 0 | 0 | 0 | 110.2 | K31 V32 L33 L37 Y38 T39 Y93 | K31-I35 WeakPolarHBondContact O-CB 3.41Å; K31-I35 VanDerWaalsContact O-CG1 3.25Å; K31-I35 WeakPolarHBondContact O-CG1 3.26Å; K31-I35 PolarHBondContact O-N 3.46Å; V32-I35 PolarHBondContact O-N 2.72Å; L33-I35 PolarHBondContact O-N 2.74Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 3.2Å; I35-Y38 PolarHBondContact O-N 3.22Å; I35-T39 WeakPolarHBondContact O-CB 3.29Å; I35-T39 PolarHBondContact O-N 3.46Å; I35-T39 PolarHBondContact O-OG1 3Å; I35-Y93 HydrophobicContact CD1-CE2 4.45Å; I35-Y93 HydrophobicContact CG1-CE2 3.84Å; I35-Y93 PolarHBondContact N-OH 3.46Å |
| 36 | L | 95.5 | Very high | 90.8 | Very high | 113 Ų | 113 | 72.2 Ų | 72.2 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.6 | -43 | 178.6 | -68 | 174.1 | 0 | 0 | 0 | 112 | V32 L33 F34 F40 | V32-L36 HydrophobicContact CG1-CD1 4.16Å; V32-L36 WeakPolarHBondContact O-CG 3.45Å; V32-L36 PolarHBondContact O-N 3.34Å; L33-L36 PolarHBondContact O-N 2.8Å; F34-L36 PolarHBondContact O-N 3.05Å; L36-F40 WeakPolarHBondContact O-CB 3.32Å; L36-F40 PolarHBondContact O-N 3.41Å |
| 37 | L | 96.5 | Very high | 92.5 | Very high | 62 Ų | 62 | 69.3 Ų | 69.3 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.2 | -46.4 | 179.1 | -68 | 171.3 | 0 | 0 | 0 | 112.4 | L33 F34 I35 F40 V41 L289 | L33-L37 HydrophobicContact CD1-CD1 3.99Å; L33-L37 HydrophobicContact CD1-CG 4.19Å; L33-L37 HydrophobicContact CG-CD1 3.88Å; L33-L37 HydrophobicContact CG-CG 4.46Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.44Å; L33-L37 PolarHBondContact O-N 3.36Å; F34-L37 PolarHBondContact O-N 3.48Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 3.2Å; L37-F40 PolarHBondContact O-N 2.87Å; L37-V41 WeakPolarHBondContact O-CG2 3.49Å; L37-V41 PolarHBondContact O-N 3Å; L37-L289 HydrophobicContact CB-CD1 4.15Å; L37-L289 HydrophobicContact CB-CD2 3.66Å; L37-L289 HydrophobicContact CD1-CD2 3.71Å; L37-L289 HydrophobicContact CG-CD2 4.27Å |
| 38 | Y | 96.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.027 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.4 | -87.7 | -76 | 0 | 0 | 0 | 111.4 | F34 I35 V41 F42 L85 P89 L285 H288 L289 | F34-Y38 HydrophobicContact CB-CD2 4.32Å; F34-Y38 HydrophobicContact CD1-CD2 4.33Å; F34-Y38 AromaticContact CD1-CE2 3.9Å; F34-Y38 HydrophobicContact CD1-CE2 3.9Å; F34-Y38 WeakPolarHBondContact O-CB 3.41Å; F34-Y38 VanDerWaalsContact O-CD2 3.24Å; F34-Y38 WeakPolarHBondContact O-CD2 3.43Å; F34-Y38 PolarHBondContact O-N 3.43Å; I35-Y38 PolarHBondContact O-N 3.22Å; Y38-V41 PolarHBondContact O-N 3.38Å; Y38-F42 VanDerWaalsContact O-CB 3.25Å; Y38-F42 WeakPolarHBondContact O-CB 3.47Å; Y38-F42 PolarHBondContact O-N 3.49Å; Y38-L85 HydrophobicContact CD1-CD2 3.83Å; Y38-L85 WeakPolarHBondContact CD1-O 3.34Å; Y38-L85 HydrophobicContact CE1-CD2 4.28Å; Y38-P89 HydrophobicContact CD1-CB 4.42Å; Y38-P89 HydrophobicContact CD1-CG 3.86Å; Y38-P89 HydrophobicContact CD2-CB 3.85Å; Y38-P89 HydrophobicContact CD2-CG 4.13Å; Y38-P89 HydrophobicContact CE1-CB 4.39Å; Y38-P89 HydrophobicContact CE1-CG 4.03Å; Y38-P89 HydrophobicContact CE2-CB 3.84Å; Y38-P89 HydrophobicContact CE2-CG 4.31Å; Y38-P89 HydrophobicContact CG-CB 4.18Å; Y38-P89 HydrophobicContact CG-CG 3.93Å; Y38-L285 PolarHBondContact OH-O 3.38Å; Y38-H288 AromaticContact CE1-CE1 3.95Å; Y38-H288 AromaticContact CE1-ND1 3.53Å; Y38-H288 AromaticContact CZ-ND1 3.61Å; Y38-H288 PolarHBondContact OH-ND1 3.13Å; Y38-L289 HydrophobicContact CD1-CD1 3.89Å; Y38-L289 HydrophobicContact CD2-CD1 4.04Å; Y38-L289 HydrophobicContact CE1-CB 4.33Å; Y38-L289 HydrophobicContact CE1-CD1 3.97Å; Y38-L289 HydrophobicContact CE2-CB 4.12Å; Y38-L289 HydrophobicContact CE2-CD1 4.1Å; Y38-L289 HydrophobicContact CG-CD1 3.91Å; Y38-L289 PolarHBondContact OH-N 3.45Å |
| 39 | T | 96.6 | Very high | 94.3 | Very high | 72 Ų | 72 | 58.9 Ų | 58.9 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 174.6 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | I35 F42 L43 | I35-T39 WeakPolarHBondContact O-CB 3.29Å; I35-T39 PolarHBondContact O-N 3.46Å; I35-T39 PolarHBondContact O-OG1 3Å; T39-F42 PolarHBondContact O-N 2.87Å; T39-L43 HydrophobicContact CG2-CD1 4.11Å; T39-L43 HydrophobicContact CG2-CG 4.43Å; T39-L43 VanDerWaalsContact O-CG 3.32Å; T39-L43 WeakPolarHBondContact O-CG 3.15Å; T39-L43 PolarHBondContact O-N 2.99Å |
| 40 | F | 96.9 | Very high | 94.9 | Very high | 131 Ų | 131 | 53.5 Ų | 53.5 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.9 | -48.9 | 176.1 | 174.2 | -98.9 | 0 | 0 | 0 | 111.8 | L36 L37 F42 L43 M44 | L36-F40 WeakPolarHBondContact O-CB 3.32Å; L36-F40 PolarHBondContact O-N 3.41Å; L37-F40 PolarHBondContact O-N 2.87Å; F40-F42 VanDerWaalsContact C-N 3.33Å; F40-F42 PolarHBondContact O-N 2.83Å; F40-L43 PolarHBondContact O-N 3.35Å; F40-M44 HydrophobicContact CE1-CE 4.13Å; F40-M44 HydrophobicContact CE1-SD 4.37Å; F40-M44 WeakPolarHBondContact O-CB 3.38Å; F40-M44 PolarHBondContact O-N 3.4Å |
| 41 | V | 97.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 177.7 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | L37 Y38 M44 A45 L85 L289 M292 | L37-V41 WeakPolarHBondContact O-CG2 3.49Å; L37-V41 PolarHBondContact O-N 3Å; Y38-V41 PolarHBondContact O-N 3.38Å; V41-M44 HydrophobicContact CG2-CE 4.5Å; V41-M44 PolarHBondContact O-N 3.02Å; V41-A45 VanDerWaalsContact O-CB 3.22Å; V41-A45 WeakPolarHBondContact O-CB 3.31Å; V41-A45 PolarHBondContact O-N 3.32Å; V41-L85 HydrophobicContact CB-CD2 4.21Å; V41-L85 HydrophobicContact CG1-CD1 4.22Å; V41-L85 HydrophobicContact CG1-CD2 3.73Å; V41-L289 HydrophobicContact CG2-CD1 3.99Å; V41-M292 HydrophobicContact CG1-CB 4.49Å |
| 42 | F | 97.7 | Very high | 95.9 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 23% | 0.228 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.1 | -51.1 | 175.1 | 177.3 | -94.4 | 0 | 0 | 0 | 112.2 | Y38 T39 F40 M44 A45 F46 S81 L85 | Y38-F42 VanDerWaalsContact O-CB 3.25Å; Y38-F42 WeakPolarHBondContact O-CB 3.47Å; Y38-F42 PolarHBondContact O-N 3.49Å; T39-F42 PolarHBondContact O-N 2.87Å; F40-F42 VanDerWaalsContact C-N 3.33Å; F40-F42 PolarHBondContact O-N 2.83Å; F42-M44 PolarHBondContact O-N 3.32Å; F42-A45 PolarHBondContact O-N 3.39Å; F42-F46 HydrophobicContact CE1-CB 4.37Å; F42-F46 HydrophobicContact CE2-CB 4.4Å; F42-F46 HydrophobicContact CZ-CB 4.25Å; F42-F46 HydrophobicContact CZ-CD2 4.41Å; F42-F46 HydrophobicContact CZ-CG 4.19Å; F42-F46 WeakPolarHBondContact O-CB 3.14Å; F42-F46 PolarHBondContact O-N 2.81Å; F42-S81 WeakPolarHBondContact CD2-O 3.42Å; F42-S81 WeakPolarHBondContact CE2-O 3.16Å; F42-L85 HydrophobicContact CB-CB 4.23Å; F42-L85 HydrophobicContact CB-CD1 4.05Å; F42-L85 HydrophobicContact CD2-CB 3.96Å; F42-L85 HydrophobicContact CD2-CD1 4.14Å |
| 43 | L | 97.2 | Very high | 96.3 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63 | -43 | 179.8 | -68.7 | 174.1 | 0 | 0 | 0 | 111.6 | T39 F40 C47 | T39-L43 HydrophobicContact CG2-CD1 4.11Å; T39-L43 HydrophobicContact CG2-CG 4.43Å; T39-L43 VanDerWaalsContact O-CG 3.32Å; T39-L43 WeakPolarHBondContact O-CG 3.15Å; T39-L43 PolarHBondContact O-N 2.99Å; F40-L43 PolarHBondContact O-N 3.35Å; L43-C47 WeakPolarHBondContact O-CB 3.32Å; L43-C47 PolarHBondContact O-N 3.12Å; L43-C47 PolarHBondContact O-SG 2.96Å; L43-C47 VanDerWaalsContact O-SG 3.37Å |
| 44 | M | 96.3 | Very high | 96.5 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 20% | 0.197 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -50 | 177.6 | 178.1 | -179.2 | 50.4 | 0 | 0 | 111.8 | F40 V41 F42 G48 V300 | F40-M44 HydrophobicContact CE1-CE 4.13Å; F40-M44 HydrophobicContact CE1-SD 4.37Å; F40-M44 WeakPolarHBondContact O-CB 3.38Å; F40-M44 PolarHBondContact O-N 3.4Å; V41-M44 HydrophobicContact CG2-CE 4.5Å; V41-M44 PolarHBondContact O-N 3.02Å; F42-M44 PolarHBondContact O-N 3.32Å; M44-G48 WeakPolarHBondContact O-CA 3.39Å; M44-G48 PolarHBondContact O-N 2.88Å; M44-V300 HydrophobicContact SD-CG2 4.24Å |
| 45 | A | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.3 | -48.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V41 F42 N49 S81 L85 | V41-A45 VanDerWaalsContact O-CB 3.22Å; V41-A45 WeakPolarHBondContact O-CB 3.31Å; V41-A45 PolarHBondContact O-N 3.32Å; F42-A45 PolarHBondContact O-N 3.39Å; A45-N49 VanDerWaalsContact O-CB 3.23Å; A45-N49 WeakPolarHBondContact O-CB 3.27Å; A45-N49 PolarHBondContact O-N 3.1Å; A45-N49 PolarHBondContact O-ND2 3.35Å; A45-S81 WeakPolarHBondContact CB-OG 3.34Å; A45-L85 HydrophobicContact CB-CD1 4.31Å |
| 46 | F | 97.7 | Very high | 96.7 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 25% | 0.254 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.6 | -56.4 | -177.7 | -176.3 | -98.8 | 0 | 0 | 0 | 111.7 | F42 G48 L50 L78 L82 | F42-F46 HydrophobicContact CE1-CB 4.37Å; F42-F46 HydrophobicContact CE2-CB 4.4Å; F42-F46 HydrophobicContact CZ-CB 4.25Å; F42-F46 HydrophobicContact CZ-CD2 4.41Å; F42-F46 HydrophobicContact CZ-CG 4.19Å; F42-F46 WeakPolarHBondContact O-CB 3.14Å; F42-F46 PolarHBondContact O-N 2.81Å; F46-G48 PolarHBondContact O-N 3.08Å; F46-L50 HydrophobicContact CE1-CD2 4.33Å; F46-L50 VanDerWaalsContact O-CB 3.23Å; F46-L50 WeakPolarHBondContact O-CB 3.45Å; F46-L50 PolarHBondContact O-N 3.26Å; F46-L78 HydrophobicContact CD2-CD2 3.67Å; F46-L78 HydrophobicContact CE2-CD2 3.94Å; F46-L78 HydrophobicContact CG-CD2 4.32Å; F46-L78 WeakPolarHBondContact O-CD2 3.23Å; F46-L82 HydrophobicContact CD2-CD2 3.94Å; F46-L82 HydrophobicContact CD2-CG 4.06Å; F46-L82 HydrophobicContact CE2-CD1 4.09Å; F46-L82 HydrophobicContact CE2-CD2 3.51Å; F46-L82 HydrophobicContact CE2-CG 3.76Å; F46-L82 HydrophobicContact CZ-CD2 4.33Å |
| 47 | C | 96.7 | Very high | 96.7 | Very high | 71 Ų | 71 | 44 Ų | 44 | 48% | 0.48 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.9 | -40.6 | -177.6 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | L43 L51 | L43-C47 WeakPolarHBondContact O-CB 3.32Å; L43-C47 PolarHBondContact O-N 3.12Å; L43-C47 PolarHBondContact O-SG 2.96Å; L43-C47 VanDerWaalsContact O-SG 3.37Å; C47-L51 WeakPolarHBondContact O-CB 3.24Å; C47-L51 PolarHBondContact O-N 2.83Å |
| 48 | G | 96.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M44 F46 L51 V52 | M44-G48 WeakPolarHBondContact O-CA 3.39Å; M44-G48 PolarHBondContact O-N 2.88Å; F46-G48 PolarHBondContact O-N 3.08Å; G48-L51 PolarHBondContact O-N 3.17Å; G48-V52 WeakPolarHBondContact O-CG2 3.33Å; G48-V52 PolarHBondContact O-N 2.97Å |
| 49 | N | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.7 | -35.4 | 179.6 | -72.7 | -60.7 | 0 | 0 | 0 | 112.2 | A45 L51 V52 V53 A74 L78 S295 | A45-N49 VanDerWaalsContact O-CB 3.23Å; A45-N49 WeakPolarHBondContact O-CB 3.27Å; A45-N49 PolarHBondContact O-N 3.1Å; A45-N49 PolarHBondContact O-ND2 3.35Å; N49-L51 VanDerWaalsContact C-N 3.27Å; N49-L51 PolarHBondContact O-N 3.03Å; N49-V52 WeakPolarHBondContact O-CB 3.34Å; N49-V52 PolarHBondContact O-N 3.35Å; N49-V53 WeakPolarHBondContact O-CG2 3.38Å; N49-V53 PolarHBondContact O-N 3.17Å; N49-A74 HydrophobicContact CB-CB 3.92Å; N49-A74 WeakPolarHBondContact OD1-CA 3.33Å; N49-L78 HydrophobicContact CB-CD2 4.1Å; N49-L78 HydrophobicContact CB-CG 3.94Å; N49-S295 PolarHBondContact ND2-O 3.45Å |
| 50 | L | 97.4 | Very high | 95.9 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 47% | 0.471 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.2 | -42.8 | 171.9 | -176.6 | 63.5 | 0 | 0 | 0 | 111.2 | F46 V53 Y54 L78 | F46-L50 HydrophobicContact CE1-CD2 4.33Å; F46-L50 VanDerWaalsContact O-CB 3.23Å; F46-L50 WeakPolarHBondContact O-CB 3.45Å; F46-L50 PolarHBondContact O-N 3.26Å; L50-V53 PolarHBondContact O-N 3.27Å; L50-Y54 WeakPolarHBondContact O-CB 3.37Å; L50-Y54 PolarHBondContact O-N 3.45Å; L50-L78 HydrophobicContact CB-CD2 4.22Å |
| 51 | L | 95.9 | Very high | 95.6 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.1 | -37.9 | 177.7 | -171.1 | 60.1 | 0 | 0 | 0 | 112.4 | C47 G48 N49 Y54 I55 Y313 T316 F317 | C47-L51 WeakPolarHBondContact O-CB 3.24Å; C47-L51 PolarHBondContact O-N 2.83Å; G48-L51 PolarHBondContact O-N 3.17Å; N49-L51 VanDerWaalsContact C-N 3.27Å; N49-L51 PolarHBondContact O-N 3.03Å; L51-Y54 HydrophobicContact CD1-CD1 4.21Å; L51-Y54 PolarHBondContact O-N 2.94Å; L51-I55 HydrophobicContact CD1-CD1 4.17Å; L51-I55 HydrophobicContact CD1-CG1 4.34Å; L51-I55 HydrophobicContact CG-CD1 3.98Å; L51-I55 WeakPolarHBondContact O-CB 3.42Å; L51-I55 WeakPolarHBondContact O-CG1 3.3Å; L51-I55 PolarHBondContact O-N 2.71Å; L51-Y313 HydrophobicContact CB-CE1 4.26Å; L51-Y313 HydrophobicContact CD2-CD1 3.37Å; L51-Y313 HydrophobicContact CD2-CE1 3.47Å; L51-Y313 VanDerWaalsContact CD2-CE1 3.47Å; L51-Y313 HydrophobicContact CG-CD1 3.76Å; L51-Y313 HydrophobicContact CG-CE1 3.58Å; L51-T316 HydrophobicContact CD1-CG2 3.83Å; L51-F317 HydrophobicContact CD2-CE1 4.4Å; L51-F317 HydrophobicContact CD2-CE2 3.88Å; L51-F317 HydrophobicContact CD2-CZ 3.61Å |
| 52 | V | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.6 | -50.4 | 172.8 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | G48 N49 I55 I56 I70 A74 P299 Y302 F309 Y313 | G48-V52 WeakPolarHBondContact O-CG2 3.33Å; G48-V52 PolarHBondContact O-N 2.97Å; N49-V52 WeakPolarHBondContact O-CB 3.34Å; N49-V52 PolarHBondContact O-N 3.35Å; V52-I55 PolarHBondContact O-N 2.98Å; V52-I56 HydrophobicContact CG1-CD1 3.67Å; V52-I56 WeakPolarHBondContact O-CD1 3.32Å; V52-I56 VanDerWaalsContact O-CG1 3.31Å; V52-I56 WeakPolarHBondContact O-CG1 3.43Å; V52-I56 PolarHBondContact O-N 2.9Å; V52-I56 VanDerWaalsContact O-N 3.12Å; V52-I70 HydrophobicContact CG1-CG2 3.76Å; V52-A74 HydrophobicContact CB-CB 3.96Å; V52-A74 HydrophobicContact CG1-CB 3.74Å; V52-P299 HydrophobicContact CG2-CB 4.32Å; V52-P299 HydrophobicContact CG2-CG 4.18Å; V52-Y302 HydrophobicContact CG2-CD2 3.84Å; V52-Y302 HydrophobicContact CG2-CE2 4.22Å; V52-F309 HydrophobicContact CG1-CE1 4.34Å; V52-Y313 WeakPolarHBondContact CG2-OH 3.49Å |
| 53 | V | 97.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -50.5 | 178.6 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | N49 L50 I55 I56 V57 A74 V75 L78 | N49-V53 WeakPolarHBondContact O-CG2 3.38Å; N49-V53 PolarHBondContact O-N 3.17Å; L50-V53 PolarHBondContact O-N 3.27Å; V53-I55 PolarHBondContact O-N 3.04Å; V53-I56 PolarHBondContact O-N 3.43Å; V53-V57 HydrophobicContact CG1-CG2 4.2Å; V53-V57 WeakPolarHBondContact O-CB 3.3Å; V53-V57 VanDerWaalsContact O-CG2 3.27Å; V53-V57 WeakPolarHBondContact O-CG2 3.39Å; V53-V57 PolarHBondContact O-N 2.97Å; V53-A74 HydrophobicContact CG2-CB 3.75Å; V53-V75 HydrophobicContact CG2-CG2 3.86Å; V53-L78 HydrophobicContact CG2-CD1 4.14Å |
| 54 | Y | 95.9 | Very high | 94.9 | Very high | 84 Ų | 84 | 46.6 Ų | 46.6 | 33% | 0.329 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -54.5 | -51.7 | 178.7 | 171.5 | -99 | 0 | 0 | 0 | 112.1 | L50 L51 I56 V57 M58 T316 | L50-Y54 WeakPolarHBondContact O-CB 3.37Å; L50-Y54 PolarHBondContact O-N 3.45Å; L51-Y54 HydrophobicContact CD1-CD1 4.21Å; L51-Y54 PolarHBondContact O-N 2.94Å; Y54-I56 PolarHBondContact O-N 2.93Å; Y54-V57 PolarHBondContact O-N 2.94Å; Y54-M58 HydrophobicContact CD2-CE 4.13Å; Y54-M58 HydrophobicContact CD2-CG 3.85Å; Y54-M58 HydrophobicContact CE1-CG 4.47Å; Y54-M58 HydrophobicContact CE2-CE 3.96Å; Y54-M58 HydrophobicContact CE2-CG 3.58Å; Y54-M58 HydrophobicContact CE2-SD 4.42Å; Y54-M58 HydrophobicContact CG-CG 4.41Å; Y54-M58 WeakPolarHBondContact O-CB 3.39Å; Y54-M58 VanDerWaalsContact O-CG 3.24Å; Y54-M58 WeakPolarHBondContact O-CG 3.27Å; Y54-M58 PolarHBondContact O-N 3.21Å; Y54-T316 HydrophobicContact CD1-CG2 4.47Å; Y54-T316 HydrophobicContact CE1-CG2 3.98Å |
| 55 | I | 94.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | -178.1 | -74.8 | 172.1 | 0 | 0 | 0 | 111.5 | L51 V52 V53 R59 L62 E312 Y313 | L51-I55 HydrophobicContact CD1-CD1 4.17Å; L51-I55 HydrophobicContact CD1-CG1 4.34Å; L51-I55 HydrophobicContact CG-CD1 3.98Å; L51-I55 WeakPolarHBondContact O-CB 3.42Å; L51-I55 WeakPolarHBondContact O-CG1 3.3Å; L51-I55 PolarHBondContact O-N 2.71Å; V52-I55 PolarHBondContact O-N 2.98Å; V53-I55 PolarHBondContact O-N 3.04Å; I55-R59 WeakPolarHBondContact O-CB 3.48Å; I55-R59 VanDerWaalsContact O-CG 3.3Å; I55-R59 WeakPolarHBondContact O-CG 3.2Å; I55-R59 PolarHBondContact O-N 3.35Å; I55-L62 HydrophobicContact CG2-CD1 3.48Å; I55-L62 VanDerWaalsContact CG2-CD1 3.48Å; I55-E312 HydrophobicContact CD1-CB 4.05Å; I55-E312 HydrophobicContact CG1-CB 4.38Å; I55-E312 HydrophobicContact CG2-CB 3.7Å; I55-E312 HydrophobicContact CG2-CG 4.03Å; I55-Y313 HydrophobicContact CD1-CD1 3.27Å; I55-Y313 HydrophobicContact CD1-CE1 3.51Å; I55-Y313 HydrophobicContact CD1-CG 4.13Å |
| 56 | I | 95.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.7 | -40.5 | -177.6 | -65.3 | 166.3 | 0 | 0 | 0 | 111.2 | V52 V53 Y54 Q63 N67 I70 C71 F309 | V52-I56 HydrophobicContact CG1-CD1 3.67Å; V52-I56 WeakPolarHBondContact O-CD1 3.32Å; V52-I56 VanDerWaalsContact O-CG1 3.31Å; V52-I56 WeakPolarHBondContact O-CG1 3.43Å; V52-I56 PolarHBondContact O-N 2.9Å; V52-I56 VanDerWaalsContact O-N 3.12Å; V53-I56 PolarHBondContact O-N 3.43Å; Y54-I56 PolarHBondContact O-N 2.93Å; I56-Q63 VanDerWaalsContact O-CG 3.3Å; I56-Q63 WeakPolarHBondContact O-CG 3.39Å; I56-Q63 PolarHBondContact O-NE2 3.43Å; I56-N67 WeakPolarHBondContact CD1-O 3.49Å; I56-N67 HydrophobicContact CG2-CB 4.49Å; I56-I70 HydrophobicContact CD1-CB 4.43Å; I56-I70 HydrophobicContact CD1-CG2 4Å; I56-C71 HydrophobicContact CD1-CB 3.8Å; I56-C71 HydrophobicContact CG2-CB 4.19Å; I56-F309 HydrophobicContact CD1-CE1 3.97Å; I56-F309 HydrophobicContact CD1-CZ 3.78Å; I56-F309 HydrophobicContact CG1-CE1 3.87Å; I56-F309 HydrophobicContact CG1-CZ 3.78Å |
| 57 | V | 94.9 | Very high | 94.4 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 49% | 0.485 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.7 | -43.2 | 178.7 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | V53 Y54 Q63 | V53-V57 HydrophobicContact CG1-CG2 4.2Å; V53-V57 WeakPolarHBondContact O-CB 3.3Å; V53-V57 VanDerWaalsContact O-CG2 3.27Å; V53-V57 WeakPolarHBondContact O-CG2 3.39Å; V53-V57 PolarHBondContact O-N 2.97Å; Y54-V57 PolarHBondContact O-N 2.94Å; V57-Q63 PolarHBondContact O-NE2 3.16Å |
| 58 | M | 91.9 | Very high | 94.4 | Very high | 90 Ų | 90 | 42.7 Ų | 42.7 | 44% | 0.443 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -77.5 | -31.6 | -176.5 | -64.3 | -58.9 | 165.1 | 0 | 0 | 113.3 | Y54 | Y54-M58 HydrophobicContact CD2-CE 4.13Å; Y54-M58 HydrophobicContact CD2-CG 3.85Å; Y54-M58 HydrophobicContact CE1-CG 4.47Å; Y54-M58 HydrophobicContact CE2-CE 3.96Å; Y54-M58 HydrophobicContact CE2-CG 3.58Å; Y54-M58 HydrophobicContact CE2-SD 4.42Å; Y54-M58 HydrophobicContact CG-CG 4.41Å; Y54-M58 WeakPolarHBondContact O-CB 3.39Å; Y54-M58 VanDerWaalsContact O-CG 3.24Å; Y54-M58 WeakPolarHBondContact O-CG 3.27Å; Y54-M58 PolarHBondContact O-N 3.21Å |
| 59 | R | 91.5 | Very high | 94.5 | Very high | 29 Ų | 29 | 42.1 Ų | 42.1 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | trans | -101.9 | 97.1 | -172.4 | -58.4 | -68.5 | 176.9 | -124.7 | -13.2 | 111.8 | I55 R61 L62 E312 D364 | I55-R59 WeakPolarHBondContact O-CB 3.48Å; I55-R59 VanDerWaalsContact O-CG 3.3Å; I55-R59 WeakPolarHBondContact O-CG 3.2Å; I55-R59 PolarHBondContact O-N 3.35Å; R59-R61 HydrophobicContact CB-CG 4.43Å; R59-R61 PolarHBondContact O-N 3.04Å; R59-R61 VanDerWaalsContact O-N 3.08Å; R59-L62 HydrophobicContact CB-CB 4.36Å; R59-L62 HydrophobicContact CB-CD1 4.11Å; R59-L62 HydrophobicContact CB-CG 4.1Å; R59-L62 WeakPolarHBondContact O-CA 3.45Å; R59-L62 WeakPolarHBondContact O-CB 3.45Å; R59-L62 PolarHBondContact O-N 3.03Å; R59-E312 VanDerWaalsContact CD-OE2 3.3Å; R59-E312 WeakPolarHBondContact CD-OE2 3.49Å; R59-E312 HydrophobicContact CG-CG 4.41Å; R59-E312 WeakPolarHBondContact CG-OE2 3.28Å; R59-E312 IonicContact NE-OE2 3.11Å; R59-E312 PolarHBondContact NE-OE2 3.37Å; R59-D364 IonicContact CZ-OD1 2.68Å; R59-D364 IonicContact NH1-OD1 3.22Å; R59-D364 PolarHBondContact NH1-OD1 2.97Å; R59-D364 IonicContact NH2-OD1 3.95Å; R59-D364 PolarHBondContact NH2-OD1 3.48Å; R59-D364 VanDerWaalsContact NH2-OD1 3.15Å | ||
| 60 | R | 89.9 | Confident | 94.4 | Very high | 111 Ų | 111 | 42.1 Ų | 42.1 | 42% | 0.419 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -46.9 | -40.3 | 174.8 | -73.2 | -174.1 | 162.4 | -152.3 | -20.1 | 114.5 | L62 Q63 N368 | R60-L62 PolarHBondContact O-N 2.91Å; R60-L62 VanDerWaalsContact O-N 3.08Å; R60-Q63 WeakPolarHBondContact O-CB 3.03Å; R60-Q63 PolarHBondContact O-N 3.47Å; R60-N368 PolarHBondContact NH1-O 3.5Å; R60-N368 PolarHBondContact NH1-OD1 3.49Å; R60-N368 PolarHBondContact NH2-ND2 2.99Å; R60-N368 VanDerWaalsContact NH2-ND2 3.18Å; R60-N368 PolarHBondContact NH2-OD1 3.26Å |
| 61 | R | 90.7 | Very high | 94.4 | Very high | 105 Ų | 105 | 38.7 Ų | 38.7 | 40% | 0.396 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -58.9 | -21.9 | 177.8 | 75.1 | -173.8 | -165 | 86.5 | -5.2 | 113.6 | R59 N308 E312 | R59-R61 HydrophobicContact CB-CG 4.43Å; R59-R61 PolarHBondContact O-N 3.04Å; R59-R61 VanDerWaalsContact O-N 3.08Å; R61-N308 PolarHBondContact NH2-O 3.09Å; R61-E312 IonicContact CZ-OE1 3.96Å; R61-E312 IonicContact NE-OE1 2.78Å; R61-E312 PolarHBondContact NE-OE1 2.89Å; R61-E312 IonicContact NH2-OE1 2.84Å; R61-E312 PolarHBondContact NH2-OE1 2.85Å |
| 62 | L | 91.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -98 | -3.9 | 178.3 | -60.9 | -174.6 | 0 | 0 | 0 | 113 | I55 R59 R60 N64 N67 N308 E312 | I55-L62 HydrophobicContact CG2-CD1 3.48Å; I55-L62 VanDerWaalsContact CG2-CD1 3.48Å; R59-L62 HydrophobicContact CB-CB 4.36Å; R59-L62 HydrophobicContact CB-CD1 4.11Å; R59-L62 HydrophobicContact CB-CG 4.1Å; R59-L62 WeakPolarHBondContact O-CA 3.45Å; R59-L62 WeakPolarHBondContact O-CB 3.45Å; R59-L62 PolarHBondContact O-N 3.03Å; R60-L62 PolarHBondContact O-N 2.91Å; R60-L62 VanDerWaalsContact O-N 3.08Å; L62-N64 PolarHBondContact O-N 3.38Å; L62-N67 WeakPolarHBondContact O-CB 3.38Å; L62-N67 VanDerWaalsContact O-CG 3.31Å; L62-N67 PolarHBondContact O-ND2 3.22Å; L62-N308 HydrophobicContact CD2-CB 4.13Å; L62-E312 HydrophobicContact CD1-CG 3.92Å |
| 63 | Q | 93.2 | Very high | 94.5 | Very high | 77 Ų | 77 | 38 Ų | 38 | 36% | 0.36 | 18% | 0.178 | S | C | . | . | trans | -82.4 | 63.5 | -177.4 | -65.9 | 177.7 | -11.6 | 0 | 0 | 112.2 | I56 V57 R60 F68 | I56-Q63 VanDerWaalsContact O-CG 3.3Å; I56-Q63 WeakPolarHBondContact O-CG 3.39Å; I56-Q63 PolarHBondContact O-NE2 3.43Å; V57-Q63 PolarHBondContact O-NE2 3.16Å; R60-Q63 WeakPolarHBondContact O-CB 3.03Å; R60-Q63 PolarHBondContact O-N 3.47Å; Q63-F68 HydrophobicContact CB-CE2 4.16Å; Q63-F68 HydrophobicContact CB-CZ 4.02Å; Q63-F68 HydrophobicContact CG-CZ 4.42Å | ||
| 64 | N | 92.7 | Very high | 94.5 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 36% | 0.358 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -110 | 167.4 | 172.6 | 64.9 | 63.6 | 0 | 0 | 0 | 110.9 | L62 T66 N67 F68 | L62-N64 PolarHBondContact O-N 3.38Å; N64-T66 PolarHBondContact O-N 2.86Å; N64-T66 PolarHBondContact OD1-N 3.3Å; N64-N67 PolarHBondContact ND2-ND2 3.4Å; N64-N67 VanDerWaalsContact ND2-ND2 3.18Å; N64-N67 PolarHBondContact O-N 3.44Å; N64-N67 VanDerWaalsContact O-N 3.1Å; N64-N67 PolarHBondContact OD1-N 3.44Å; N64-N67 VanDerWaalsContact OD1-N 3.07Å; N64-F68 VanDerWaalsContact O-CD2 3.25Å; N64-F68 WeakPolarHBondContact O-CD2 3.16Å; N64-F68 PolarHBondContact O-N 3.27Å |
| 65 | V | 94.8 | Very high | 94.6 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 10% | 0.097 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -50.6 | -49.5 | -176.6 | 167.4 | 0 | 0 | 0 | 0 | 113.6 | N67 F68 F69 M141 V143 C146 | V65-N67 VanDerWaalsContact C-N 3.3Å; V65-N67 PolarHBondContact O-N 3.18Å; V65-F68 PolarHBondContact O-N 2.91Å; V65-F69 HydrophobicContact CG1-CD2 4.26Å; V65-F69 HydrophobicContact CG1-CE2 3.85Å; V65-F69 PolarHBondContact O-N 3.09Å; V65-M141 HydrophobicContact CG1-CB 4.37Å; V65-M141 HydrophobicContact CG1-CE 3.33Å; V65-M141 HydrophobicContact CG1-CG 4.27Å; V65-M141 WeakPolarHBondContact CG2-O 3.4Å; V65-V143 HydrophobicContact CG2-CG2 4.3Å; V65-C146 HydrophobicContact CB-CB 4.43Å; V65-C146 HydrophobicContact CG1-CB 3.92Å; V65-C146 HydrophobicContact CG2-CB 4.12Å |
| 66 | T | 92.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | -178.6 | -48.1 | 0 | 0 | 0 | 0 | 111.6 | N64 F68 F69 I70 I125 D128 R129 | N64-T66 PolarHBondContact O-N 2.86Å; N64-T66 PolarHBondContact OD1-N 3.3Å; T66-F68 VanDerWaalsContact C-N 3.35Å; T66-F69 PolarHBondContact O-N 3.39Å; T66-I70 HydrophobicContact CG2-CD1 4.44Å; T66-I70 WeakPolarHBondContact O-CG1 3.42Å; T66-I70 PolarHBondContact O-N 3.5Å; T66-I125 HydrophobicContact CG2-CG2 4.32Å; T66-D128 PolarHBondContact OG1-OD2 2.99Å; T66-R129 PolarHBondContact OG1-NE 3.45Å; T66-R129 PolarHBondContact OG1-NH1 2.89Å; T66-R129 PolarHBondContact OG1-NH2 3.33Å |
| 67 | N | 94.4 | Very high | 94.8 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.059 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.9 | -29.7 | 178.7 | -71.6 | -5.4 | 0 | 0 | 0 | 111.9 | I56 L62 N64 V65 F69 I70 C71 | I56-N67 WeakPolarHBondContact CD1-O 3.49Å; I56-N67 HydrophobicContact CG2-CB 4.49Å; L62-N67 WeakPolarHBondContact O-CB 3.38Å; L62-N67 VanDerWaalsContact O-CG 3.31Å; L62-N67 PolarHBondContact O-ND2 3.22Å; N64-N67 PolarHBondContact ND2-ND2 3.4Å; N64-N67 VanDerWaalsContact ND2-ND2 3.18Å; N64-N67 PolarHBondContact O-N 3.44Å; N64-N67 VanDerWaalsContact O-N 3.1Å; N64-N67 PolarHBondContact OD1-N 3.44Å; N64-N67 VanDerWaalsContact OD1-N 3.07Å; V65-N67 VanDerWaalsContact C-N 3.3Å; V65-N67 PolarHBondContact O-N 3.18Å; N67-F69 VanDerWaalsContact C-N 3.33Å; N67-I70 PolarHBondContact O-N 3.23Å; N67-C71 WeakPolarHBondContact O-CB 3.3Å; N67-C71 PolarHBondContact O-N 3.49Å |
| 68 | F | 97 | Very high | 95 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 22% | 0.219 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 169.1 | -79.7 | -63.9 | 0 | 0 | 0 | 112.1 | Q63 N64 V65 T66 C71 N72 V143 I150 | Q63-F68 HydrophobicContact CB-CE2 4.16Å; Q63-F68 HydrophobicContact CB-CZ 4.02Å; Q63-F68 HydrophobicContact CG-CZ 4.42Å; N64-F68 VanDerWaalsContact O-CD2 3.25Å; N64-F68 WeakPolarHBondContact O-CD2 3.16Å; N64-F68 PolarHBondContact O-N 3.27Å; V65-F68 PolarHBondContact O-N 2.91Å; T66-F68 VanDerWaalsContact C-N 3.35Å; F68-C71 WeakPolarHBondContact O-CB 3.19Å; F68-C71 PolarHBondContact O-N 3.43Å; F68-N72 PolarHBondContact O-N 3.48Å; F68-V143 HydrophobicContact CD2-CG1 3.91Å; F68-V143 HydrophobicContact CD2-CG2 4.26Å; F68-V143 HydrophobicContact CE2-CB 4.43Å; F68-V143 HydrophobicContact CE2-CG1 3.56Å; F68-V143 HydrophobicContact CE2-CG2 3.95Å; F68-V143 HydrophobicContact CZ-CG1 4.18Å; F68-I150 HydrophobicContact CB-CD1 4.35Å |
| 69 | F | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.6 | -39.4 | 171.2 | -68.8 | -50.9 | 0 | 0 | 0 | 112.9 | V65 T66 N67 C71 N72 L73 T121 A124 I125 D128 M141 C146 I149 I150 | V65-F69 HydrophobicContact CG1-CD2 4.26Å; V65-F69 HydrophobicContact CG1-CE2 3.85Å; V65-F69 PolarHBondContact O-N 3.09Å; T66-F69 PolarHBondContact O-N 3.39Å; N67-F69 VanDerWaalsContact C-N 3.33Å; F69-C71 VanDerWaalsContact C-N 3.31Å; F69-C71 PolarHBondContact O-N 2.9Å; F69-N72 WeakPolarHBondContact O-CB 3.42Å; F69-N72 PolarHBondContact O-N 3.4Å; F69-L73 PolarHBondContact O-N 3.33Å; F69-T121 HydrophobicContact CB-CG2 3.76Å; F69-T121 HydrophobicContact CD1-CG2 4.11Å; F69-T121 HydrophobicContact CG-CG2 4.3Å; F69-T121 VanDerWaalsContact O-CG2 3.3Å; F69-T121 WeakPolarHBondContact O-CG2 3.48Å; F69-A124 HydrophobicContact CD1-CB 4.33Å; F69-A124 HydrophobicContact CE1-CB 3.86Å; F69-A124 HydrophobicContact CE2-CB 4.14Å; F69-A124 HydrophobicContact CZ-CB 3.75Å; F69-I125 HydrophobicContact CB-CD1 3.82Å; F69-I125 HydrophobicContact CB-CG1 3.46Å; F69-I125 VanDerWaalsContact CB-CG1 3.46Å; F69-I125 HydrophobicContact CD2-CG1 4.01Å; F69-I125 HydrophobicContact CG-CG1 4.02Å; F69-D128 HydrophobicContact CE2-CB 4.39Å; F69-M141 HydrophobicContact CE2-CE 3.4Å; F69-M141 VanDerWaalsContact CE2-CE 3.4Å; F69-M141 HydrophobicContact CZ-CE 3.63Å; F69-C146 HydrophobicContact CZ-CB 4.35Å; F69-I149 HydrophobicContact CE1-CB 4.38Å; F69-I149 HydrophobicContact CE1-CG2 3.95Å; F69-I149 HydrophobicContact CZ-CB 4.48Å; F69-I149 HydrophobicContact CZ-CG2 4.17Å; F69-I150 HydrophobicContact CD1-CD1 4.06Å; F69-I150 HydrophobicContact CD1-CG1 3.79Å; F69-I150 HydrophobicContact CE1-CD1 4.37Å; F69-I150 HydrophobicContact CE1-CG1 3.86Å |
| 70 | I | 96.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 173.4 | -70.5 | 170.2 | 0 | 0 | 0 | 111.1 | V52 I56 T66 N67 N72 L73 A74 I125 Y302 F309 | V52-I70 HydrophobicContact CG1-CG2 3.76Å; I56-I70 HydrophobicContact CD1-CB 4.43Å; I56-I70 HydrophobicContact CD1-CG2 4Å; T66-I70 HydrophobicContact CG2-CD1 4.44Å; T66-I70 WeakPolarHBondContact O-CG1 3.42Å; T66-I70 PolarHBondContact O-N 3.5Å; N67-I70 PolarHBondContact O-N 3.23Å; I70-N72 VanDerWaalsContact C-N 3.33Å; I70-L73 WeakPolarHBondContact O-CB 3.48Å; I70-L73 PolarHBondContact O-N 2.98Å; I70-A74 PolarHBondContact O-N 3.26Å; I70-I125 HydrophobicContact CG1-CD1 4.46Å; I70-Y302 HydrophobicContact CD1-CE1 3.9Å; I70-Y302 HydrophobicContact CG1-CE1 4.09Å; I70-Y302 HydrophobicContact CG2-CD2 4.25Å; I70-Y302 HydrophobicContact CG2-CE1 4.07Å; I70-Y302 HydrophobicContact CG2-CE2 3.55Å; I70-Y302 VanDerWaalsContact CG2-CZ 3.44Å; I70-Y302 WeakPolarHBondContact CG2-OH 3.26Å; I70-F309 HydrophobicContact CG2-CZ 4.24Å |
| 71 | C | 97.4 | Very high | 95.6 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 12% | 0.122 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 173.8 | -168.8 | 0 | 0 | 0 | 0 | 110.9 | I56 N67 F68 F69 L73 A74 V75 | I56-C71 HydrophobicContact CD1-CB 3.8Å; I56-C71 HydrophobicContact CG2-CB 4.19Å; N67-C71 WeakPolarHBondContact O-CB 3.3Å; N67-C71 PolarHBondContact O-N 3.49Å; F68-C71 WeakPolarHBondContact O-CB 3.19Å; F68-C71 PolarHBondContact O-N 3.43Å; F69-C71 VanDerWaalsContact C-N 3.31Å; F69-C71 PolarHBondContact O-N 2.9Å; C71-L73 PolarHBondContact O-N 3.48Å; C71-A74 PolarHBondContact O-N 2.79Å; C71-A74 VanDerWaalsContact O-N 3.17Å; C71-V75 WeakPolarHBondContact O-CG2 3.33Å; C71-V75 PolarHBondContact O-N 3.08Å |
| 72 | N | 98.2 | Very high | 95.7 | Very high | 10 Ų | 10 | 25.9 Ų | 25.9 | 5% | 0.053 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 175.3 | -172.7 | 61 | 0 | 0 | 0 | 112.6 | F68 F69 I70 V75 S76 T121 I150 W154 | F68-N72 PolarHBondContact O-N 3.48Å; F69-N72 WeakPolarHBondContact O-CB 3.42Å; F69-N72 PolarHBondContact O-N 3.4Å; I70-N72 VanDerWaalsContact C-N 3.33Å; N72-V75 PolarHBondContact O-N 3.29Å; N72-S76 WeakPolarHBondContact O-CB 3.27Å; N72-S76 PolarHBondContact O-N 3.08Å; N72-T121 HydrophobicContact CB-CG2 4.35Å; N72-T121 PolarHBondContact ND2-OG1 3.38Å; N72-I150 HydrophobicContact CB-CD1 4.04Å; N72-I150 HydrophobicContact CB-CG1 4.17Å; N72-I150 HydrophobicContact CB-CG2 4.39Å; N72-I150 VanDerWaalsContact OD1-CG2 3.25Å; N72-I150 WeakPolarHBondContact OD1-CG2 3.19Å; N72-W154 PolarHBondContact OD1-NE1 3.36Å |
| 73 | L | 97.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.8 | -50.3 | 172.7 | -72.6 | 173.2 | 0 | 0 | 0 | 110.9 | F69 I70 C71 V75 S76 D77 T121 L122 I125 M249 | F69-L73 PolarHBondContact O-N 3.33Å; I70-L73 WeakPolarHBondContact O-CB 3.48Å; I70-L73 PolarHBondContact O-N 2.98Å; C71-L73 PolarHBondContact O-N 3.48Å; L73-V75 PolarHBondContact O-N 3.02Å; L73-S76 PolarHBondContact O-N 3.5Å; L73-D77 WeakPolarHBondContact O-CB 3.5Å; L73-D77 PolarHBondContact O-N 3.44Å; L73-T121 HydrophobicContact CD1-CG2 4.34Å; L73-T121 HydrophobicContact CD2-CG2 3.9Å; L73-T121 HydrophobicContact CG-CG2 3.67Å; L73-L122 HydrophobicContact CD1-CD2 4.03Å; L73-L122 HydrophobicContact CD1-CG 4.49Å; L73-L122 HydrophobicContact CD2-CG 4.45Å; L73-I125 HydrophobicContact CD1-CD1 3.86Å; L73-M249 HydrophobicContact CD1-CE 4Å |
| 74 | A | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N49 V52 V53 I70 C71 D77 L78 | N49-A74 HydrophobicContact CB-CB 3.92Å; N49-A74 WeakPolarHBondContact OD1-CA 3.33Å; V52-A74 HydrophobicContact CB-CB 3.96Å; V52-A74 HydrophobicContact CG1-CB 3.74Å; V53-A74 HydrophobicContact CG2-CB 3.75Å; I70-A74 PolarHBondContact O-N 3.26Å; C71-A74 PolarHBondContact O-N 2.79Å; C71-A74 VanDerWaalsContact O-N 3.17Å; A74-D77 PolarHBondContact O-N 2.89Å; A74-L78 VanDerWaalsContact O-CG 3.25Å; A74-L78 WeakPolarHBondContact O-CG 3.34Å; A74-L78 PolarHBondContact O-N 2.86Å |
| 75 | V | 97.9 | Very high | 95.9 | Very high | 46 Ų | 46 | 20.1 Ų | 20.1 | 28% | 0.279 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 175.6 | 172 | 0 | 0 | 0 | 0 | 111 | V53 C71 N72 L73 L78 F79 W154 | V53-V75 HydrophobicContact CG2-CG2 3.86Å; C71-V75 WeakPolarHBondContact O-CG2 3.33Å; C71-V75 PolarHBondContact O-N 3.08Å; N72-V75 PolarHBondContact O-N 3.29Å; L73-V75 PolarHBondContact O-N 3.02Å; V75-L78 WeakPolarHBondContact O-CB 3.42Å; V75-L78 PolarHBondContact O-N 2.88Å; V75-F79 HydrophobicContact CG1-CD2 4.12Å; V75-F79 HydrophobicContact CG1-CE2 3.8Å; V75-F79 VanDerWaalsContact O-CD2 3.23Å; V75-F79 WeakPolarHBondContact O-CD2 3.5Å; V75-F79 PolarHBondContact O-N 3.31Å; V75-W154 HydrophobicContact CG1-CH2 4.44Å; V75-W154 HydrophobicContact CG1-CZ2 4.1Å |
| 76 | S | 97.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 176.2 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | N72 L73 L78 F79 V80 G114 | N72-S76 WeakPolarHBondContact O-CB 3.27Å; N72-S76 PolarHBondContact O-N 3.08Å; L73-S76 PolarHBondContact O-N 3.5Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 3.45Å; S76-F79 PolarHBondContact O-N 2.84Å; S76-V80 PolarHBondContact O-N 3.06Å; S76-V80 VanDerWaalsContact O-N 3.08Å; S76-G114 WeakPolarHBondContact OG-CA 3.21Å |
| 77 | D | 97.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.027 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -33.2 | 178.2 | -78.9 | -29.6 | 0 | 0 | 0 | 112.5 | L73 A74 V80 S81 S295 N298 | L73-D77 WeakPolarHBondContact O-CB 3.5Å; L73-D77 PolarHBondContact O-N 3.44Å; A74-D77 PolarHBondContact O-N 2.89Å; D77-V80 PolarHBondContact O-N 2.61Å; D77-S81 WeakPolarHBondContact O-CB 3.43Å; D77-S81 PolarHBondContact O-N 2.84Å; D77-S81 PolarHBondContact O-OG 2.98Å; D77-S295 WeakPolarHBondContact OD1-CB 3.47Å; D77-S295 PolarHBondContact OD1-OG 3.36Å; D77-N298 PolarHBondContact OD2-ND2 2.89Å |
| 78 | L | 97.5 | Very high | 95.6 | Very high | 23 Ų | 23 | 24.8 Ų | 24.8 | 12% | 0.12 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 173.6 | -75.5 | 169 | 0 | 0 | 0 | 111.9 | F46 N49 L50 V53 A74 V75 S76 S81 L82 | F46-L78 HydrophobicContact CD2-CD2 3.67Å; F46-L78 HydrophobicContact CE2-CD2 3.94Å; F46-L78 HydrophobicContact CG-CD2 4.32Å; F46-L78 WeakPolarHBondContact O-CD2 3.23Å; N49-L78 HydrophobicContact CB-CD2 4.1Å; N49-L78 HydrophobicContact CB-CG 3.94Å; L50-L78 HydrophobicContact CB-CD2 4.22Å; V53-L78 HydrophobicContact CG2-CD1 4.14Å; A74-L78 VanDerWaalsContact O-CG 3.25Å; A74-L78 WeakPolarHBondContact O-CG 3.34Å; A74-L78 PolarHBondContact O-N 2.86Å; V75-L78 WeakPolarHBondContact O-CB 3.42Å; V75-L78 PolarHBondContact O-N 2.88Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 3.45Å; L78-S81 PolarHBondContact O-N 3.37Å; L78-L82 WeakPolarHBondContact O-CB 3.27Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 2.97Å |
| 79 | F | 95.2 | Very high | 95.3 | Very high | 111 Ų | 111 | 22.5 Ų | 22.5 | 49% | 0.487 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.8 | -79.7 | -74.8 | 0 | 0 | 0 | 111.9 | V75 S76 L82 T83 I110 W154 | V75-F79 HydrophobicContact CG1-CD2 4.12Å; V75-F79 HydrophobicContact CG1-CE2 3.8Å; V75-F79 VanDerWaalsContact O-CD2 3.23Å; V75-F79 WeakPolarHBondContact O-CD2 3.5Å; V75-F79 PolarHBondContact O-N 3.31Å; S76-F79 PolarHBondContact O-N 2.84Å; F79-L82 PolarHBondContact O-N 3.37Å; F79-T83 PolarHBondContact O-N 3.25Å; F79-T83 PolarHBondContact O-OG1 3.46Å; F79-I110 HydrophobicContact CB-CG2 4.48Å; F79-W154 AromaticContact CD2-CH2 3.82Å; F79-W154 HydrophobicContact CD2-CH2 3.82Å; F79-W154 AromaticContact CE2-CH2 3.96Å; F79-W154 HydrophobicContact CE2-CH2 3.96Å |
| 80 | V | 94.9 | Very high | 95 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | S76 D77 L82 T83 S84 M292 | S76-V80 PolarHBondContact O-N 3.06Å; S76-V80 VanDerWaalsContact O-N 3.08Å; D77-V80 PolarHBondContact O-N 2.61Å; V80-L82 PolarHBondContact O-N 3.31Å; V80-T83 PolarHBondContact O-N 3.38Å; V80-T83 PolarHBondContact O-OG1 2.99Å; V80-S84 VanDerWaalsContact O-CB 3.3Å; V80-S84 WeakPolarHBondContact O-CB 3.29Å; V80-S84 PolarHBondContact O-N 3.44Å; V80-S84 PolarHBondContact O-OG 3.49Å; V80-M292 HydrophobicContact CG1-CE 4.07Å; V80-M292 HydrophobicContact CG1-SD 3.58Å; V80-M292 VanDerWaalsContact CG1-SD 3.58Å |
| 81 | S | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 179.5 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | F42 A45 D77 L78 T83 | F42-S81 WeakPolarHBondContact CD2-O 3.42Å; F42-S81 WeakPolarHBondContact CE2-O 3.16Å; A45-S81 WeakPolarHBondContact CB-OG 3.34Å; D77-S81 WeakPolarHBondContact O-CB 3.43Å; D77-S81 PolarHBondContact O-N 2.84Å; D77-S81 PolarHBondContact O-OG 2.98Å; L78-S81 PolarHBondContact O-N 3.37Å; S81-T83 PolarHBondContact O-N 3.42Å |
| 82 | L | 94.7 | Very high | 93.9 | Very high | 87 Ų | 87 | 28.9 Ų | 28.9 | 46% | 0.455 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -70.1 | -11.3 | 179.5 | -79.1 | 174.9 | 0 | 0 | 0 | 114.4 | F46 L78 F79 V80 W86 | F46-L82 HydrophobicContact CD2-CD2 3.94Å; F46-L82 HydrophobicContact CD2-CG 4.06Å; F46-L82 HydrophobicContact CE2-CD1 4.09Å; F46-L82 HydrophobicContact CE2-CD2 3.51Å; F46-L82 HydrophobicContact CE2-CG 3.76Å; F46-L82 HydrophobicContact CZ-CD2 4.33Å; L78-L82 WeakPolarHBondContact O-CB 3.27Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 2.97Å; F79-L82 PolarHBondContact O-N 3.37Å; V80-L82 PolarHBondContact O-N 3.31Å; L82-W86 PolarHBondContact O-NE1 2.06Å |
| 83 | T | 92.8 | Very high | 93.2 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 13% | 0.129 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -116.1 | -62.2 | -179.1 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | F79 V80 S81 L87 I110 | F79-T83 PolarHBondContact O-N 3.25Å; F79-T83 PolarHBondContact O-OG1 3.46Å; V80-T83 PolarHBondContact O-N 3.38Å; V80-T83 PolarHBondContact O-OG1 2.99Å; S81-T83 PolarHBondContact O-N 3.42Å; T83-L87 WeakPolarHBondContact O-CB 3.34Å; T83-L87 VanDerWaalsContact O-CD1 3.32Å; T83-L87 WeakPolarHBondContact O-CD1 3.25Å; T83-L87 WeakPolarHBondContact O-CG 3.39Å; T83-L87 PolarHBondContact O-N 2.85Å; T83-I110 HydrophobicContact CG2-CD1 4.03Å; T83-I110 HydrophobicContact CG2-CG2 4.38Å |
| 84 | S | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -78.9 | -34.5 | -160.7 | -49.2 | 0 | 0 | 0 | 0 | 113.5 | V80 W86 T88 P89 Q111 | V80-S84 VanDerWaalsContact O-CB 3.3Å; V80-S84 WeakPolarHBondContact O-CB 3.29Å; V80-S84 PolarHBondContact O-N 3.44Å; V80-S84 PolarHBondContact O-OG 3.49Å; S84-W86 PolarHBondContact O-N 3.15Å; S84-T88 WeakPolarHBondContact O-CB 3.41Å; S84-T88 PolarHBondContact O-N 2.97Å; S84-P89 WeakPolarHBondContact O-CD 3.45Å; S84-Q111 WeakPolarHBondContact OG-CG 3.45Å; S84-Q111 PolarHBondContact OG-NE2 2.9Å |
| 85 | L | 94.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.7 | -18.1 | -175.5 | -81.6 | 169.7 | 0 | 0 | 0 | 114.2 | Y38 V41 F42 A45 P89 M292 | Y38-L85 HydrophobicContact CD1-CD2 3.83Å; Y38-L85 WeakPolarHBondContact CD1-O 3.34Å; Y38-L85 HydrophobicContact CE1-CD2 4.28Å; V41-L85 HydrophobicContact CB-CD2 4.21Å; V41-L85 HydrophobicContact CG1-CD1 4.22Å; V41-L85 HydrophobicContact CG1-CD2 3.73Å; F42-L85 HydrophobicContact CB-CB 4.23Å; F42-L85 HydrophobicContact CB-CD1 4.05Å; F42-L85 HydrophobicContact CD2-CB 3.96Å; F42-L85 HydrophobicContact CD2-CD1 4.14Å; A45-L85 HydrophobicContact CB-CD1 4.31Å; L85-P89 WeakPolarHBondContact O-CG 3.01Å; L85-M292 HydrophobicContact CD2-CB 3.49Å; L85-M292 VanDerWaalsContact CD2-CB 3.49Å; L85-M292 HydrophobicContact CD2-CG 3.99Å; L85-M292 HydrophobicContact CG-CB 4.25Å; L85-M292 HydrophobicContact CG-CG 4.48Å |
| 86 | W | 92.9 | Very high | 91 | Very high | 118 Ų | 118 | 37.6 Ų | 37.6 | 45% | 0.447 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -118.6 | -38.8 | 175.1 | 69 | -85.8 | 0 | 0 | 0 | 112.4 | L82 S84 P89 M90 W99 | L82-W86 PolarHBondContact O-NE1 2.06Å; S84-W86 PolarHBondContact O-N 3.15Å; W86-P89 WeakPolarHBondContact O-CD 3.46Å; W86-P89 WeakPolarHBondContact O-CG 3.45Å; W86-M90 VanDerWaalsContact O-CB 3.23Å; W86-M90 WeakPolarHBondContact O-CB 2.98Å; W86-M90 WeakPolarHBondContact O-CG 3.39Å; W86-M90 PolarHBondContact O-N 3.41Å; W86-M90 VanDerWaalsContact O-N 3.09Å; W86-W99 AromaticContact CZ3-NE1 3.8Å |
| 87 | L | 93.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -49.7 | -179 | -71.5 | 166.4 | 0 | 0 | 0 | 112.3 | T83 M90 Y91 W99 V107 | T83-L87 WeakPolarHBondContact O-CB 3.34Å; T83-L87 VanDerWaalsContact O-CD1 3.32Å; T83-L87 WeakPolarHBondContact O-CD1 3.25Å; T83-L87 WeakPolarHBondContact O-CG 3.39Å; T83-L87 PolarHBondContact O-N 2.85Å; L87-M90 PolarHBondContact O-N 2.78Å; L87-Y91 PolarHBondContact O-N 3.06Å; L87-W99 VanDerWaalsContact CD2-CD1 3.43Å; L87-W99 HydrophobicContact CD2-CD2 3.72Å; L87-W99 HydrophobicContact CD2-CG 3.78Å; L87-W99 HydrophobicContact CD2-CZ2 3.99Å; L87-V107 HydrophobicContact CD1-CG2 3.57Å |
| 88 | T | 91.3 | Very high | 90.4 | Very high | 14 Ų | 14 | 42 Ų | 42 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.4 | -48.8 | -176.4 | -59.6 | 0 | 0 | 0 | 0 | 113.3 | S84 M90 Y91 G92 Q111 F284 | S84-T88 WeakPolarHBondContact O-CB 3.41Å; S84-T88 PolarHBondContact O-N 2.97Å; T88-M90 VanDerWaalsContact C-N 3.31Å; T88-M90 PolarHBondContact O-N 3.05Å; T88-Y91 PolarHBondContact O-N 2.95Å; T88-G92 PolarHBondContact O-N 3.49Å; T88-Q111 PolarHBondContact OG1-NE2 2.86Å; T88-F284 HydrophobicContact CG2-CE1 3.78Å; T88-F284 HydrophobicContact CG2-CZ 4.32Å |
| 89 | P | 90.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 174.4 | 23.2 | -32.1 | 0 | 0 | 0 | 112.1 | Y38 S84 L85 W86 Y91 G92 Y93 L285 | Y38-P89 HydrophobicContact CD1-CB 4.42Å; Y38-P89 HydrophobicContact CD1-CG 3.86Å; Y38-P89 HydrophobicContact CD2-CB 3.85Å; Y38-P89 HydrophobicContact CD2-CG 4.13Å; Y38-P89 HydrophobicContact CE1-CB 4.39Å; Y38-P89 HydrophobicContact CE1-CG 4.03Å; Y38-P89 HydrophobicContact CE2-CB 3.84Å; Y38-P89 HydrophobicContact CE2-CG 4.31Å; Y38-P89 HydrophobicContact CG-CB 4.18Å; Y38-P89 HydrophobicContact CG-CG 3.93Å; S84-P89 WeakPolarHBondContact O-CD 3.45Å; L85-P89 WeakPolarHBondContact O-CG 3.01Å; W86-P89 WeakPolarHBondContact O-CD 3.46Å; W86-P89 WeakPolarHBondContact O-CG 3.45Å; P89-Y91 VanDerWaalsContact C-N 3.31Å; P89-Y91 PolarHBondContact O-N 3.28Å; P89-G92 CarbonylContact O-C 3.58Å; P89-G92 PolarHBondContact O-N 3.37Å; P89-Y93 HydrophobicContact CB-CE2 3.93Å; P89-Y93 WeakPolarHBondContact O-CD2 3.41Å; P89-Y93 PolarHBondContact O-N 3.48Å; P89-L285 HydrophobicContact CB-CD2 4.36Å |
| 90 | M | 89.4 | Confident | 90.1 | Very high | 75 Ų | 75 | 40 Ų | 40 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 174.8 | -69.1 | -61.9 | 147.5 | 0 | 0 | 112.1 | W86 L87 T88 G92 Y93 L94 W99 | W86-M90 VanDerWaalsContact O-CB 3.23Å; W86-M90 WeakPolarHBondContact O-CB 2.98Å; W86-M90 WeakPolarHBondContact O-CG 3.39Å; W86-M90 PolarHBondContact O-N 3.41Å; W86-M90 VanDerWaalsContact O-N 3.09Å; L87-M90 PolarHBondContact O-N 2.78Å; T88-M90 VanDerWaalsContact C-N 3.31Å; T88-M90 PolarHBondContact O-N 3.05Å; M90-G92 VanDerWaalsContact C-N 3.34Å; M90-Y93 HydrophobicContact CE-CD2 4.26Å; M90-Y93 HydrophobicContact CE-CE2 4.36Å; M90-Y93 PolarHBondContact O-N 2.82Å; M90-Y93 HydrophobicContact SD-CD2 4.12Å; M90-L94 WeakPolarHBondContact O-CB 3.09Å; M90-L94 VanDerWaalsContact O-CG 3.32Å; M90-L94 WeakPolarHBondContact O-CG 3.1Å; M90-L94 PolarHBondContact O-N 3.22Å; M90-W99 HydrophobicContact CB-CH2 3.91Å; M90-W99 HydrophobicContact CB-CZ2 3.76Å |
| 91 | Y | 88.1 | Confident | 90.1 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 174.4 | 179 | -130.1 | 0 | 0 | 0 | 110.6 | L87 T88 P89 Y93 L94 G95 R96 W97 W99 | L87-Y91 PolarHBondContact O-N 3.06Å; T88-Y91 PolarHBondContact O-N 2.95Å; P89-Y91 VanDerWaalsContact C-N 3.31Å; P89-Y91 PolarHBondContact O-N 3.28Å; Y91-Y93 VanDerWaalsContact C-N 3.29Å; Y91-Y93 PolarHBondContact O-N 2.93Å; Y91-L94 PolarHBondContact O-N 3.04Å; Y91-G95 PolarHBondContact O-N 3.4Å; Y91-R96 WeakPolarHBondContact CD2-O 3.31Å; Y91-W97 HydrophobicContact CD1-CE3 4.3Å; Y91-W97 HydrophobicContact CD1-CZ3 4.48Å; Y91-W97 HydrophobicContact CD2-CB 4.33Å; Y91-W97 AromaticContact CD2-CE3 3.8Å; Y91-W97 HydrophobicContact CD2-CE3 3.8Å; Y91-W97 HydrophobicContact CE2-CB 3.94Å; Y91-W97 HydrophobicContact CE2-CE3 4.07Å; Y91-W97 AromaticContact CG-CE3 3.94Å; Y91-W97 HydrophobicContact CG-CE3 3.94Å; Y91-W97 HydrophobicContact CG-CZ3 4.28Å; Y91-W99 HydrophobicContact CD2-CZ3 4.06Å; Y91-W99 HydrophobicContact CG-CZ3 4.22Å |
| 92 | G | 83.8 | Confident | 90.1 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -31.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H25 T88 P89 M90 | H25-G92 PolarHBondContact NE2-O 3.41Å; T88-G92 PolarHBondContact O-N 3.49Å; P89-G92 CarbonylContact O-C 3.58Å; P89-G92 PolarHBondContact O-N 3.37Å; M90-G92 VanDerWaalsContact C-N 3.34Å |
| 93 | Y | 82.5 | Confident | 90 | Very high | 30 Ų | 30 | 49 Ų | 49 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -83.9 | -35.9 | 177.9 | -62.1 | -42 | 0 | 0 | 0 | 114.1 | H25 K31 F34 I35 P89 M90 Y91 L285 | H25-Y93 PolarHBondContact CE1-O 2.89Å; K31-Y93 HydrophobicContact CB-CE1 4.31Å; K31-Y93 HydrophobicContact CD-CD1 4.44Å; K31-Y93 HydrophobicContact CG-CD1 4.24Å; K31-Y93 HydrophobicContact CG-CE1 4.13Å; F34-Y93 WeakPolarHBondContact CB-OH 3.47Å; I35-Y93 HydrophobicContact CD1-CE2 4.45Å; I35-Y93 HydrophobicContact CG1-CE2 3.84Å; I35-Y93 PolarHBondContact N-OH 3.46Å; P89-Y93 HydrophobicContact CB-CE2 3.93Å; P89-Y93 WeakPolarHBondContact O-CD2 3.41Å; P89-Y93 PolarHBondContact O-N 3.48Å; M90-Y93 HydrophobicContact CE-CD2 4.26Å; M90-Y93 HydrophobicContact CE-CE2 4.36Å; M90-Y93 PolarHBondContact O-N 2.82Å; M90-Y93 HydrophobicContact SD-CD2 4.12Å; Y91-Y93 VanDerWaalsContact C-N 3.29Å; Y91-Y93 PolarHBondContact O-N 2.93Å; Y93-L285 HydrophobicContact CE1-CD1 4.45Å |
| 94 | L | 83.4 | Confident | 90.1 | Very high | 74 Ų | 74 | 48 Ų | 48 | 39% | 0.387 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -76.7 | -28.4 | 178.3 | -70.1 | 174.3 | 0 | 0 | 0 | 111.5 | M90 Y91 R96 V98 W99 | M90-L94 WeakPolarHBondContact O-CB 3.09Å; M90-L94 VanDerWaalsContact O-CG 3.32Å; M90-L94 WeakPolarHBondContact O-CG 3.1Å; M90-L94 PolarHBondContact O-N 3.22Å; Y91-L94 PolarHBondContact O-N 3.04Å; L94-R96 HydrophobicContact CB-CG 4.14Å; L94-R96 PolarHBondContact O-N 3.19Å; L94-R96 VanDerWaalsContact O-N 3.16Å; L94-V98 HydrophobicContact CD1-CG1 4.34Å; L94-V98 HydrophobicContact CD1-CG2 3.78Å; L94-W99 HydrophobicContact CD1-CH2 4.15Å; L94-W99 HydrophobicContact CD1-CZ2 4.42Å |
| 95 | G | 78.8 | Confident | 90.2 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 68.5 | 3.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y91 Y178 | Y91-G95 PolarHBondContact O-N 3.4Å; G95-Y178 VanDerWaalsContact O-CE2 3.26Å; G95-Y178 WeakPolarHBondContact O-CE2 3.45Å |
| 96 | R | 85.3 | Confident | 90.1 | Very high | 122 Ų | 122 | 50.9 Ų | 50.9 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -143.2 | 148 | -176.9 | 62.5 | 179.9 | -179.9 | 177.1 | 0 | 111.2 | Y91 L94 V98 Y178 | Y91-R96 WeakPolarHBondContact CD2-O 3.31Å; L94-R96 HydrophobicContact CB-CG 4.14Å; L94-R96 PolarHBondContact O-N 3.19Å; L94-R96 VanDerWaalsContact O-N 3.16Å; R96-V98 HydrophobicContact CG-CG1 4.07Å; R96-Y178 HydrophobicContact CB-CD1 4.48Å; R96-Y178 HydrophobicContact CB-CD2 3.49Å; R96-Y178 VanDerWaalsContact CB-CD2 3.49Å; R96-Y178 HydrophobicContact CB-CE2 4.15Å; R96-Y178 HydrophobicContact CB-CG 3.69Å |
| 97 | W | 89.9 | Confident | 90.1 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 8% | 0.076 | 23% | 0.232 | C | C | . | . | trans | -88.7 | 117.3 | -179.2 | -172.7 | -90.1 | 0 | 0 | 0 | 110.6 | Y91 W99 G100 M103 C104 V107 L170 H179 C181 | Y91-W97 HydrophobicContact CD1-CE3 4.3Å; Y91-W97 HydrophobicContact CD1-CZ3 4.48Å; Y91-W97 HydrophobicContact CD2-CB 4.33Å; Y91-W97 AromaticContact CD2-CE3 3.8Å; Y91-W97 HydrophobicContact CD2-CE3 3.8Å; Y91-W97 HydrophobicContact CE2-CB 3.94Å; Y91-W97 HydrophobicContact CE2-CE3 4.07Å; Y91-W97 AromaticContact CG-CE3 3.94Å; Y91-W97 HydrophobicContact CG-CE3 3.94Å; Y91-W97 HydrophobicContact CG-CZ3 4.28Å; W97-W99 AromaticContact CD2-CE3 3.69Å; W97-W99 HydrophobicContact CD2-CE3 3.69Å; W97-W99 HydrophobicContact CD2-CZ3 4.25Å; W97-W99 AromaticContact CE2-CE3 3.83Å; W97-W99 AromaticContact CE3-CE3 3.7Å; W97-W99 HydrophobicContact CE3-CE3 3.7Å; W97-W99 AromaticContact CE3-CZ3 3.89Å; W97-W99 HydrophobicContact CE3-CZ3 3.89Å; W97-W99 HydrophobicContact CG-CE3 4.28Å; W97-W99 HydrophobicContact CH2-CE3 4Å; W97-W99 HydrophobicContact CZ2-CB 3.95Å; W97-W99 AromaticContact CZ2-CE3 3.97Å; W97-W99 HydrophobicContact CZ2-CE3 3.97Å; W97-W99 AromaticContact CZ3-CE3 3.87Å; W97-W99 HydrophobicContact CZ3-CE3 3.87Å; W97-W99 HydrophobicContact CZ3-CZ3 4.13Å; W97-G100 PolarHBondContact NE1-O 2.98Å; W97-M103 HydrophobicContact CZ2-CB 3.69Å; W97-M103 WeakPolarHBondContact CZ2-O 3.36Å; W97-C104 VanDerWaalsContact CZ2-CA 3.49Å; W97-C104 HydrophobicContact CZ2-CB 4.16Å; W97-C104 VanDerWaalsContact CZ2-N 3.32Å; W97-V107 HydrophobicContact CH2-CB 4.3Å; W97-V107 HydrophobicContact CH2-CG2 4.25Å; W97-L170 HydrophobicContact CB-CD1 4.15Å; W97-L170 HydrophobicContact CG-CD1 3.91Å; W97-H179 PolarHBondContact N-O 3.42Å; W97-C181 HydrophobicContact CB-CB 4.15Å; W97-C181 HydrophobicContact CD2-CB 3.51Å; W97-C181 HydrophobicContact CE3-CB 3.57Å; W97-C181 HydrophobicContact CG-CB 3.78Å; W97-C181 HydrophobicContact CZ3-CB 4.23Å | ||
| 98 | V | 92.4 | Very high | 90 | Very high | 80 Ų | 80 | 45.9 Ų | 45.9 | 49% | 0.485 | 23% | 0.234 | S | C | . | . | trans | -114.7 | -0.3 | -174.9 | -60.8 | 0 | 0 | 0 | 0 | 114 | L94 R96 | L94-V98 HydrophobicContact CD1-CG1 4.34Å; L94-V98 HydrophobicContact CD1-CG2 3.78Å; R96-V98 HydrophobicContact CG-CG1 4.07Å | ||
| 99 | W | 92.4 | Very high | 90.1 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -94.4 | 8.6 | -173.9 | -57.3 | -83.6 | 0 | 0 | 0 | 114.3 | W86 L87 M90 Y91 L94 W97 M103 | W86-W99 AromaticContact CZ3-NE1 3.8Å; L87-W99 VanDerWaalsContact CD2-CD1 3.43Å; L87-W99 HydrophobicContact CD2-CD2 3.72Å; L87-W99 HydrophobicContact CD2-CG 3.78Å; L87-W99 HydrophobicContact CD2-CZ2 3.99Å; M90-W99 HydrophobicContact CB-CH2 3.91Å; M90-W99 HydrophobicContact CB-CZ2 3.76Å; Y91-W99 HydrophobicContact CD2-CZ3 4.06Å; Y91-W99 HydrophobicContact CG-CZ3 4.22Å; L94-W99 HydrophobicContact CD1-CH2 4.15Å; L94-W99 HydrophobicContact CD1-CZ2 4.42Å; W97-W99 AromaticContact CD2-CE3 3.69Å; W97-W99 HydrophobicContact CD2-CE3 3.69Å; W97-W99 HydrophobicContact CD2-CZ3 4.25Å; W97-W99 AromaticContact CE2-CE3 3.83Å; W97-W99 AromaticContact CE3-CE3 3.7Å; W97-W99 HydrophobicContact CE3-CE3 3.7Å; W97-W99 AromaticContact CE3-CZ3 3.89Å; W97-W99 HydrophobicContact CE3-CZ3 3.89Å; W97-W99 HydrophobicContact CG-CE3 4.28Å; W97-W99 HydrophobicContact CH2-CE3 4Å; W97-W99 HydrophobicContact CZ2-CB 3.95Å; W97-W99 AromaticContact CZ2-CE3 3.97Å; W97-W99 HydrophobicContact CZ2-CE3 3.97Å; W97-W99 AromaticContact CZ3-CE3 3.87Å; W97-W99 HydrophobicContact CZ3-CE3 3.87Å; W97-W99 HydrophobicContact CZ3-CZ3 4.13Å; W99-M103 HydrophobicContact CB-CB 3.64Å; W99-M103 HydrophobicContact CB-CG 3.94Å; W99-M103 WeakPolarHBondContact O-CB 3.48Å; W99-M103 WeakPolarHBondContact O-CG 3.32Å |
| 100 | G | 93.9 | Very high | 90.2 | Very high | 34 Ų | 34 | 50 Ų | 50 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | 73.3 | 178.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | W97 C104 | W97-G100 PolarHBondContact NE1-O 2.98Å; G100-C104 PolarHBondContact O-N 2.91Å |
| 101 | N | 94.1 | Very high | 90.4 | Very high | 81 Ų | 81 | 47.3 Ų | 47.3 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.2 | -45.5 | -171.4 | -167.4 | 60.6 | 0 | 0 | 0 | 112.5 | M103 C104 H105 L170 | N101-M103 VanDerWaalsContact C-N 3.32Å; N101-M103 PolarHBondContact O-N 3.43Å; N101-C104 VanDerWaalsContact O-CB 3.29Å; N101-C104 WeakPolarHBondContact O-CB 3.41Å; N101-C104 PolarHBondContact O-N 3.35Å; N101-H105 PolarHBondContact ND2-NE2 2.89Å; N101-H105 PolarHBondContact O-CD2 3.05Å; N101-H105 VanDerWaalsContact O-CD2 3.24Å; N101-H105 PolarHBondContact O-N 3.46Å; N101-L170 HydrophobicContact CB-CB 4.44Å; N101-L170 HydrophobicContact CB-CD2 4.16Å; N101-L170 VanDerWaalsContact OD1-CB 3.28Å; N101-L170 WeakPolarHBondContact OD1-CB 3.44Å |
| 102 | F | 95.2 | Very high | 90.6 | Very high | 149 Ų | 149 | 45 Ų | 45 | 65% | 0.654 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -55.6 | -45.1 | -177.5 | 176.6 | -105.6 | 0 | 0 | 0 | 112.9 | C104 H105 S106 | F102-C104 VanDerWaalsContact C-N 3.32Å; F102-C104 PolarHBondContact O-N 3.2Å; F102-H105 PolarHBondContact O-N 2.95Å; F102-S106 WeakPolarHBondContact CE2-OG 3.36Å; F102-S106 WeakPolarHBondContact CZ-OG 3.24Å; F102-S106 VanDerWaalsContact O-CB 3.24Å; F102-S106 WeakPolarHBondContact O-CB 3.3Å; F102-S106 PolarHBondContact O-N 3.36Å; F102-S106 PolarHBondContact O-OG 2.89Å |
| 103 | M | 93.8 | Very high | 91.2 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.4 | -28 | 178.6 | -70.2 | -80.3 | 109.1 | 0 | 0 | 112.1 | W97 W99 N101 H105 S106 V107 | W97-M103 HydrophobicContact CZ2-CB 3.69Å; W97-M103 WeakPolarHBondContact CZ2-O 3.36Å; W99-M103 HydrophobicContact CB-CB 3.64Å; W99-M103 HydrophobicContact CB-CG 3.94Å; W99-M103 WeakPolarHBondContact O-CB 3.48Å; W99-M103 WeakPolarHBondContact O-CG 3.32Å; N101-M103 VanDerWaalsContact C-N 3.32Å; N101-M103 PolarHBondContact O-N 3.43Å; M103-H105 VanDerWaalsContact C-N 3.3Å; M103-H105 PolarHBondContact O-N 3.23Å; M103-S106 PolarHBondContact O-N 3.48Å; M103-V107 HydrophobicContact CB-CG2 4.27Å; M103-V107 WeakPolarHBondContact O-CB 3.47Å; M103-V107 VanDerWaalsContact O-CG2 3.31Å; M103-V107 WeakPolarHBondContact O-CG2 3.14Å; M103-V107 PolarHBondContact O-N 2.89Å; M103-V107 HydrophobicContact SD-CG2 4.06Å |
| 104 | C | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 177.8 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | W97 G100 N101 F102 P108 L170 C181 | W97-C104 VanDerWaalsContact CZ2-CA 3.49Å; W97-C104 HydrophobicContact CZ2-CB 4.16Å; W97-C104 VanDerWaalsContact CZ2-N 3.32Å; G100-C104 PolarHBondContact O-N 2.91Å; N101-C104 VanDerWaalsContact O-CB 3.29Å; N101-C104 WeakPolarHBondContact O-CB 3.41Å; N101-C104 PolarHBondContact O-N 3.35Å; F102-C104 VanDerWaalsContact C-N 3.32Å; F102-C104 PolarHBondContact O-N 3.2Å; C104-P108 WeakPolarHBondContact O-CD 3.21Å; C104-P108 VanDerWaalsContact O-CG 3.31Å; C104-P108 WeakPolarHBondContact O-CG 3.45Å; C104-L170 HydrophobicContact CB-CB 4.42Å; C104-C181 WeakPolarHBondContact CA-SG 3.26Å; C104-C181 HydrophobicContact CB-CB 3.87Å; C104-C181 WeakPolarHBondContact CB-SG 3.48Å; C104-C181 PolarHBondContact O-SG 3.44Å; C104-C181 VanDerWaalsContact SG-CA 3.52Å; C104-C181 WeakPolarHBondContact SG-CB 3.47Å; C104-C181 CovalentContact SG-SG 2.03Å; C104-C181 PolarHBondContact SG-SG 3.18Å |
| 105 | H | 94 | Very high | 92.4 | Very high | 48 Ų | 48 | 40 Ų | 40 | 22% | 0.222 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.4 | -45.2 | 171.4 | -62.6 | -86.9 | 0 | 0 | 0 | 112.4 | N101 F102 M103 P108 M109 G165 M168 | N101-H105 PolarHBondContact ND2-NE2 2.89Å; N101-H105 PolarHBondContact O-CD2 3.05Å; N101-H105 VanDerWaalsContact O-CD2 3.24Å; N101-H105 PolarHBondContact O-N 3.46Å; F102-H105 PolarHBondContact O-N 2.95Å; M103-H105 VanDerWaalsContact C-N 3.3Å; M103-H105 PolarHBondContact O-N 3.23Å; H105-P108 WeakPolarHBondContact O-CD 3.4Å; H105-M109 VanDerWaalsContact O-CG 3.26Å; H105-M109 WeakPolarHBondContact O-CG 3.49Å; H105-M109 PolarHBondContact O-N 3.4Å; H105-G165 PolarHBondContact ND1-O 2.79Å; H105-M168 PolarHBondContact CE1-O 2.97Å; H105-M168 PolarHBondContact ND1-O 3.37Å; H105-M168 PolarHBondContact NE2-O 3.04Å |
| 106 | S | 92.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.3 | -37.2 | -166.9 | -58.1 | 0 | 0 | 0 | 0 | 114 | F102 M103 M109 I110 | F102-S106 WeakPolarHBondContact CE2-OG 3.36Å; F102-S106 WeakPolarHBondContact CZ-OG 3.24Å; F102-S106 VanDerWaalsContact O-CB 3.24Å; F102-S106 WeakPolarHBondContact O-CB 3.3Å; F102-S106 PolarHBondContact O-N 3.36Å; F102-S106 PolarHBondContact O-OG 2.89Å; M103-S106 PolarHBondContact O-N 3.48Å; S106-M109 WeakPolarHBondContact O-CB 3.17Å; S106-M109 PolarHBondContact O-N 3.14Å; S106-I110 VanDerWaalsContact O-CG1 3.25Å; S106-I110 WeakPolarHBondContact O-CG1 3.22Å; S106-I110 PolarHBondContact O-N 2.95Å |
| 107 | V | 92.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -49.1 | -176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | L87 W97 M103 M109 I110 Q111 | L87-V107 HydrophobicContact CD1-CG2 3.57Å; W97-V107 HydrophobicContact CH2-CB 4.3Å; W97-V107 HydrophobicContact CH2-CG2 4.25Å; M103-V107 HydrophobicContact CB-CG2 4.27Å; M103-V107 WeakPolarHBondContact O-CB 3.47Å; M103-V107 VanDerWaalsContact O-CG2 3.31Å; M103-V107 WeakPolarHBondContact O-CG2 3.14Å; M103-V107 PolarHBondContact O-N 2.89Å; M103-V107 HydrophobicContact SD-CG2 4.06Å; V107-M109 VanDerWaalsContact C-N 3.27Å; V107-M109 PolarHBondContact O-N 3.16Å; V107-I110 PolarHBondContact O-N 3.41Å; V107-Q111 WeakPolarHBondContact O-CG 3.49Å; V107-Q111 PolarHBondContact O-N 2.9Å |
| 108 | P | 91.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 7% | 0.071 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -35.6 | 173.9 | -20.1 | 32.1 | 0 | 0 | 0 | 112.5 | C104 H105 Q111 G112 Y164 M168 | C104-P108 WeakPolarHBondContact O-CD 3.21Å; C104-P108 VanDerWaalsContact O-CG 3.31Å; C104-P108 WeakPolarHBondContact O-CG 3.45Å; H105-P108 WeakPolarHBondContact O-CD 3.4Å; P108-Q111 PolarHBondContact O-N 3.3Å; P108-G112 PolarHBondContact O-N 3.37Å; P108-Y164 HydrophobicContact CB-CD1 3.88Å; P108-Y164 HydrophobicContact CB-CE1 3.3Å; P108-M168 HydrophobicContact CB-CE 4.26Å; P108-M168 HydrophobicContact CB-CG 4.18Å; P108-M168 HydrophobicContact CG-CE 3.42Å; P108-M168 VanDerWaalsContact CG-CE 3.42Å; P108-M168 HydrophobicContact CG-CG 3.96Å; P108-M168 HydrophobicContact CG-SD 4.42Å |
| 109 | M | 92.9 | Very high | 94.3 | Very high | 49 Ų | 49 | 29.1 Ų | 29.1 | 24% | 0.241 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 174.6 | -73.1 | 179.7 | 72.7 | 0 | 0 | 112.9 | H105 S106 V107 Q111 G112 A113 V161 | H105-M109 VanDerWaalsContact O-CG 3.26Å; H105-M109 WeakPolarHBondContact O-CG 3.49Å; H105-M109 PolarHBondContact O-N 3.4Å; S106-M109 WeakPolarHBondContact O-CB 3.17Å; S106-M109 PolarHBondContact O-N 3.14Å; V107-M109 VanDerWaalsContact C-N 3.27Å; V107-M109 PolarHBondContact O-N 3.16Å; M109-Q111 VanDerWaalsContact C-N 3.3Å; M109-Q111 PolarHBondContact O-N 3.37Å; M109-G112 PolarHBondContact O-N 3.45Å; M109-A113 WeakPolarHBondContact O-CB 3.12Å; M109-A113 PolarHBondContact O-N 2.94Å; M109-V161 HydrophobicContact CB-CG1 4.45Å |
| 110 | I | 93 | Very high | 94.5 | Very high | 53 Ų | 53 | 28.1 Ų | 28.1 | 27% | 0.272 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 178.9 | -69.3 | 165.9 | 0 | 0 | 0 | 110.1 | F79 T83 S106 V107 G114 | F79-I110 HydrophobicContact CB-CG2 4.48Å; T83-I110 HydrophobicContact CG2-CD1 4.03Å; T83-I110 HydrophobicContact CG2-CG2 4.38Å; S106-I110 VanDerWaalsContact O-CG1 3.25Å; S106-I110 WeakPolarHBondContact O-CG1 3.22Å; S106-I110 PolarHBondContact O-N 2.95Å; V107-I110 PolarHBondContact O-N 3.41Å; I110-G114 PolarHBondContact O-N 3.3Å |
| 111 | Q | 93.2 | Very high | 94.7 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 9% | 0.093 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -57.4 | 174.9 | -76 | -177.9 | 35.1 | 0 | 0 | 111.5 | S84 T88 V107 P108 M109 A113 G114 I115 M292 | S84-Q111 WeakPolarHBondContact OG-CG 3.45Å; S84-Q111 PolarHBondContact OG-NE2 2.9Å; T88-Q111 PolarHBondContact OG1-NE2 2.86Å; V107-Q111 WeakPolarHBondContact O-CG 3.49Å; V107-Q111 PolarHBondContact O-N 2.9Å; P108-Q111 PolarHBondContact O-N 3.3Å; M109-Q111 VanDerWaalsContact C-N 3.3Å; M109-Q111 PolarHBondContact O-N 3.37Å; Q111-A113 VanDerWaalsContact C-N 3.33Å; Q111-A113 PolarHBondContact O-N 2.78Å; Q111-G114 PolarHBondContact O-N 2.91Å; Q111-I115 VanDerWaalsContact O-CG1 3.3Å; Q111-I115 WeakPolarHBondContact O-CG1 3.29Å; Q111-I115 PolarHBondContact O-N 3.41Å; Q111-M292 HydrophobicContact CG-CE 4.3Å |
| 112 | G | 93.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 22.9 Ų | 22.9 | 11% | 0.113 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P108 M109 G114 I115 F116 V161 | P108-G112 PolarHBondContact O-N 3.37Å; M109-G112 PolarHBondContact O-N 3.45Å; G112-G114 VanDerWaalsContact C-N 3.33Å; G112-G114 PolarHBondContact O-N 3.26Å; G112-I115 PolarHBondContact O-N 3.23Å; G112-F116 WeakPolarHBondContact O-CD2 3.27Å; G112-F116 PolarHBondContact O-N 3.1Å; G112-F116 VanDerWaalsContact O-N 3.12Å; G112-V161 VanDerWaalsContact C-CG2 3.46Å |
| 113 | A | 96.2 | Very high | 95 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 3% | 0.033 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M109 Q111 I115 F116 I117 L158 | M109-A113 WeakPolarHBondContact O-CB 3.12Å; M109-A113 PolarHBondContact O-N 2.94Å; Q111-A113 VanDerWaalsContact C-N 3.33Å; Q111-A113 PolarHBondContact O-N 2.78Å; A113-I115 VanDerWaalsContact C-N 3.27Å; A113-I115 PolarHBondContact O-N 2.9Å; A113-F116 PolarHBondContact O-N 3.07Å; A113-I117 HydrophobicContact CB-CD1 4.46Å; A113-I117 WeakPolarHBondContact O-CB 3.31Å; A113-I117 WeakPolarHBondContact O-CD1 3.21Å; A113-I117 WeakPolarHBondContact O-CG1 3.3Å; A113-I117 PolarHBondContact O-N 2.88Å; A113-L158 HydrophobicContact CB-CD2 3.93Å |
| 114 | G | 95.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 15 Ų | 15 | 4% | 0.041 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.8 | -37.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S76 I110 Q111 G112 S118 | S76-G114 WeakPolarHBondContact OG-CA 3.21Å; I110-G114 PolarHBondContact O-N 3.3Å; Q111-G114 PolarHBondContact O-N 2.91Å; G112-G114 VanDerWaalsContact C-N 3.33Å; G112-G114 PolarHBondContact O-N 3.26Å; G114-S118 VanDerWaalsContact O-CB 3.29Å; G114-S118 WeakPolarHBondContact O-CB 3.48Å; G114-S118 PolarHBondContact O-N 3.29Å; G114-S118 PolarHBondContact O-OG 3.25Å |
| 115 | I | 94.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 15 Ų | 15 | 5% | 0.051 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69 | -46.5 | 177.2 | -54.4 | 160.1 | 0 | 0 | 0 | 111.1 | Q111 G112 A113 S118 T119 Q202 F253 W257 | Q111-I115 VanDerWaalsContact O-CG1 3.3Å; Q111-I115 WeakPolarHBondContact O-CG1 3.29Å; Q111-I115 PolarHBondContact O-N 3.41Å; G112-I115 PolarHBondContact O-N 3.23Å; A113-I115 VanDerWaalsContact C-N 3.27Å; A113-I115 PolarHBondContact O-N 2.9Å; I115-S118 PolarHBondContact O-N 2.74Å; I115-T119 WeakPolarHBondContact O-CB 3.14Å; I115-T119 PolarHBondContact O-N 3.18Å; I115-T119 PolarHBondContact O-OG1 3.32Å; I115-Q202 HydrophobicContact CG2-CG 3.73Å; I115-F253 HydrophobicContact CG2-CZ 3.89Å; I115-W257 HydrophobicContact CD1-CD2 4.36Å; I115-W257 HydrophobicContact CD1-CE3 3.61Å; I115-W257 HydrophobicContact CD1-CH2 3.51Å; I115-W257 HydrophobicContact CD1-CZ2 4.26Å; I115-W257 HydrophobicContact CD1-CZ3 3.13Å; I115-W257 HydrophobicContact CG1-CD2 4.05Å; I115-W257 HydrophobicContact CG1-CE3 3.78Å; I115-W257 HydrophobicContact CG1-CH2 3.24Å; I115-W257 HydrophobicContact CG1-CZ2 3.53Å; I115-W257 HydrophobicContact CG1-CZ3 3.39Å; I115-W257 HydrophobicContact CG2-CD2 4.27Å; I115-W257 HydrophobicContact CG2-CE3 4.45Å |
| 116 | F | 96.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 1% | 0.013 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 176.6 | -84.9 | -73.5 | 0 | 0 | 0 | 111.8 | G112 A113 S118 T119 L120 S157 L160 V161 V198 L201 Q202 | G112-F116 WeakPolarHBondContact O-CD2 3.27Å; G112-F116 PolarHBondContact O-N 3.1Å; G112-F116 VanDerWaalsContact O-N 3.12Å; A113-F116 PolarHBondContact O-N 3.07Å; F116-S118 VanDerWaalsContact C-N 3.27Å; F116-S118 PolarHBondContact O-N 3.37Å; F116-T119 PolarHBondContact O-N 2.82Å; F116-L120 WeakPolarHBondContact O-CB 3.48Å; F116-L120 VanDerWaalsContact O-CG 3.25Å; F116-L120 WeakPolarHBondContact O-CG 3.38Å; F116-L120 PolarHBondContact O-N 3.44Å; F116-S157 WeakPolarHBondContact CB-OG 3.45Å; F116-L160 HydrophobicContact CD1-CD1 3.72Å; F116-L160 HydrophobicContact CE1-CD1 3.5Å; F116-L160 HydrophobicContact CE2-CB 4.23Å; F116-L160 HydrophobicContact CG-CD1 4.38Å; F116-L160 HydrophobicContact CZ-CB 4.24Å; F116-L160 HydrophobicContact CZ-CD1 3.98Å; F116-V161 HydrophobicContact CD2-CG2 3.39Å; F116-V161 HydrophobicContact CE2-CG2 3.67Å; F116-V198 HydrophobicContact CE2-CG1 4.07Å; F116-V198 HydrophobicContact CZ-CB 4.43Å; F116-V198 HydrophobicContact CZ-CG1 3.97Å; F116-V198 HydrophobicContact CZ-CG2 4.38Å; F116-L201 HydrophobicContact CE1-CB 3.99Å; F116-L201 HydrophobicContact CZ-CB 4.48Å; F116-Q202 HydrophobicContact CE1-CB 4Å; F116-Q202 HydrophobicContact CZ-CB 4.2Å |
| 117 | I | 97.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.9 | -46.2 | 176.7 | -68.7 | 163 | 0 | 0 | 0 | 109.5 | A113 T121 I153 W154 S157 | A113-I117 HydrophobicContact CB-CD1 4.46Å; A113-I117 WeakPolarHBondContact O-CB 3.31Å; A113-I117 WeakPolarHBondContact O-CD1 3.21Å; A113-I117 WeakPolarHBondContact O-CG1 3.3Å; A113-I117 PolarHBondContact O-N 2.88Å; I117-T121 WeakPolarHBondContact O-CB 3.38Å; I117-T121 PolarHBondContact O-N 2.82Å; I117-T121 PolarHBondContact O-OG1 3.33Å; I117-I153 HydrophobicContact CB-CG2 4.21Å; I117-I153 HydrophobicContact CG1-CG2 4.18Å; I117-I153 HydrophobicContact CG2-CG2 4.11Å; I117-W154 HydrophobicContact CD1-CD2 3.64Å; I117-W154 HydrophobicContact CD1-CE3 3.51Å; I117-W154 HydrophobicContact CD1-CG 4.28Å; I117-W154 HydrophobicContact CD1-CH2 4.01Å; I117-W154 HydrophobicContact CD1-CZ2 4.13Å; I117-W154 HydrophobicContact CD1-CZ3 3.7Å; I117-W154 HydrophobicContact CG1-CD2 4.4Å; I117-S157 WeakPolarHBondContact CG1-OG 3.15Å; I117-S157 PolarHBondContact N-OG 2.93Å |
| 118 | S | 96.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 3% | 0.028 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.5 | -51.2 | 179 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | G114 I115 F116 T121 L122 F253 | G114-S118 VanDerWaalsContact O-CB 3.29Å; G114-S118 WeakPolarHBondContact O-CB 3.48Å; G114-S118 PolarHBondContact O-N 3.29Å; G114-S118 PolarHBondContact O-OG 3.25Å; I115-S118 PolarHBondContact O-N 2.74Å; F116-S118 VanDerWaalsContact C-N 3.27Å; F116-S118 PolarHBondContact O-N 3.37Å; S118-T121 PolarHBondContact O-N 2.97Å; S118-L122 WeakPolarHBondContact O-CB 3.25Å; S118-L122 VanDerWaalsContact O-CG 3.27Å; S118-L122 WeakPolarHBondContact O-CG 3.35Å; S118-L122 PolarHBondContact O-N 3.46Å; S118-F253 VanDerWaalsContact CB-CE2 3.44Å |
| 119 | T | 96.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | -176.9 | -50 | 0 | 0 | 0 | 0 | 112.4 | I115 F116 T121 L122 T123 Q202 P206 F207 F253 | I115-T119 WeakPolarHBondContact O-CB 3.14Å; I115-T119 PolarHBondContact O-N 3.18Å; I115-T119 PolarHBondContact O-OG1 3.32Å; F116-T119 PolarHBondContact O-N 2.82Å; T119-T121 VanDerWaalsContact C-N 3.31Å; T119-T121 PolarHBondContact O-N 3.08Å; T119-L122 PolarHBondContact O-N 3.08Å; T119-T123 PolarHBondContact O-N 2.94Å; T119-T123 PolarHBondContact O-OG1 3.12Å; T119-Q202 WeakPolarHBondContact CG2-O 3.4Å; T119-P206 HydrophobicContact CG2-CB 3.34Å; T119-P206 HydrophobicContact CG2-CG 3.72Å; T119-F207 HydrophobicContact CG2-CD2 4.49Å; T119-F207 HydrophobicContact CG2-CE2 4.19Å; T119-F253 WeakPolarHBondContact OG1-CE1 3.46Å; T119-F253 VanDerWaalsContact OG1-CZ 3.27Å; T119-F253 WeakPolarHBondContact OG1-CZ 3.36Å |
| 120 | L | 97.2 | Very high | 95.8 | Very high | 35 Ų | 35 | 18.2 Ų | 18.2 | 18% | 0.183 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.5 | -35.1 | 179.1 | -65.6 | 172.6 | 0 | 0 | 0 | 111.1 | F116 T123 A124 I153 F156 | F116-L120 WeakPolarHBondContact O-CB 3.48Å; F116-L120 VanDerWaalsContact O-CG 3.25Å; F116-L120 WeakPolarHBondContact O-CG 3.38Å; F116-L120 PolarHBondContact O-N 3.44Å; L120-T123 WeakPolarHBondContact O-CB 3.41Å; L120-T123 PolarHBondContact O-N 3.39Å; L120-A124 WeakPolarHBondContact O-CB 3.22Å; L120-A124 PolarHBondContact O-N 2.99Å; L120-I153 HydrophobicContact CB-CD1 4.2Å; L120-I153 HydrophobicContact CB-CG1 3.98Å; L120-I153 HydrophobicContact CB-CG2 3.91Å; L120-I153 HydrophobicContact CD1-CG2 4.3Å; L120-F156 HydrophobicContact CD1-CD1 3.81Å; L120-F156 HydrophobicContact CD1-CE1 4.42Å |
| 121 | T | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | 174.2 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | F69 N72 L73 I117 S118 T119 T123 A124 I125 | F69-T121 HydrophobicContact CB-CG2 3.76Å; F69-T121 HydrophobicContact CD1-CG2 4.11Å; F69-T121 HydrophobicContact CG-CG2 4.3Å; F69-T121 VanDerWaalsContact O-CG2 3.3Å; F69-T121 WeakPolarHBondContact O-CG2 3.48Å; N72-T121 HydrophobicContact CB-CG2 4.35Å; N72-T121 PolarHBondContact ND2-OG1 3.38Å; L73-T121 HydrophobicContact CD1-CG2 4.34Å; L73-T121 HydrophobicContact CD2-CG2 3.9Å; L73-T121 HydrophobicContact CG-CG2 3.67Å; I117-T121 WeakPolarHBondContact O-CB 3.38Å; I117-T121 PolarHBondContact O-N 2.82Å; I117-T121 PolarHBondContact O-OG1 3.33Å; S118-T121 PolarHBondContact O-N 2.97Å; T119-T121 VanDerWaalsContact C-N 3.31Å; T119-T121 PolarHBondContact O-N 3.08Å; T121-T123 VanDerWaalsContact C-N 3.26Å; T121-T123 PolarHBondContact O-N 3.31Å; T121-A124 PolarHBondContact O-N 3.19Å; T121-I125 HydrophobicContact CG2-CD1 4.25Å; T121-I125 VanDerWaalsContact O-CG1 3.31Å; T121-I125 WeakPolarHBondContact O-CG1 3.23Å; T121-I125 PolarHBondContact O-N 3.39Å |
| 122 | L | 97 | Very high | 95.7 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60 | -38.5 | 173.2 | -72.5 | 169.2 | 0 | 0 | 0 | 111.6 | L73 S118 T119 I125 A126 I210 M249 V250 F253 | L73-L122 HydrophobicContact CD1-CD2 4.03Å; L73-L122 HydrophobicContact CD1-CG 4.49Å; L73-L122 HydrophobicContact CD2-CG 4.45Å; S118-L122 WeakPolarHBondContact O-CB 3.25Å; S118-L122 VanDerWaalsContact O-CG 3.27Å; S118-L122 WeakPolarHBondContact O-CG 3.35Å; S118-L122 PolarHBondContact O-N 3.46Å; T119-L122 PolarHBondContact O-N 3.08Å; L122-I125 PolarHBondContact O-N 2.96Å; L122-A126 PolarHBondContact O-N 3.32Å; L122-I210 HydrophobicContact CB-CD1 4.16Å; L122-M249 HydrophobicContact CD2-CB 4.43Å; L122-M249 HydrophobicContact CD2-CE 3.99Å; L122-V250 HydrophobicContact CB-CG2 4.2Å; L122-V250 HydrophobicContact CD1-CG2 4.23Å; L122-V250 HydrophobicContact CD2-CG2 4.06Å; L122-V250 HydrophobicContact CG-CG2 4.39Å; L122-F253 HydrophobicContact CD1-CB 4.16Å; L122-F253 HydrophobicContact CD1-CD1 4.04Å; L122-F253 HydrophobicContact CD1-CD2 4.39Å; L122-F253 HydrophobicContact CD1-CG 3.93Å |
| 123 | T | 97.5 | Very high | 95.5 | Very high | 16 Ų | 16 | 20.4 Ų | 20.4 | 10% | 0.098 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 174.4 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | T119 L120 T121 I125 A126 V127 P206 I209 I210 | T119-T123 PolarHBondContact O-N 2.94Å; T119-T123 PolarHBondContact O-OG1 3.12Å; L120-T123 WeakPolarHBondContact O-CB 3.41Å; L120-T123 PolarHBondContact O-N 3.39Å; T121-T123 VanDerWaalsContact C-N 3.26Å; T121-T123 PolarHBondContact O-N 3.31Å; T123-I125 VanDerWaalsContact C-N 3.31Å; T123-I125 PolarHBondContact O-N 3.31Å; T123-A126 WeakPolarHBondContact O-CB 3.47Å; T123-A126 PolarHBondContact O-N 2.97Å; T123-A126 VanDerWaalsContact O-N 3.14Å; T123-V127 WeakPolarHBondContact O-CG2 3.32Å; T123-V127 PolarHBondContact O-N 3.49Å; T123-P206 WeakPolarHBondContact OG1-CB 3.36Å; T123-I209 HydrophobicContact CG2-CB 4.14Å; T123-I209 HydrophobicContact CG2-CD1 4.4Å; T123-I209 HydrophobicContact CG2-CG2 3.75Å; T123-I210 HydrophobicContact CG2-CG1 4.47Å |
| 124 | A | 97.5 | Very high | 95.2 | Very high | 16 Ų | 16 | 22.5 Ų | 22.5 | 13% | 0.132 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F69 L120 T121 V127 D128 I149 I153 | F69-A124 HydrophobicContact CD1-CB 4.33Å; F69-A124 HydrophobicContact CE1-CB 3.86Å; F69-A124 HydrophobicContact CE2-CB 4.14Å; F69-A124 HydrophobicContact CZ-CB 3.75Å; L120-A124 WeakPolarHBondContact O-CB 3.22Å; L120-A124 PolarHBondContact O-N 2.99Å; T121-A124 PolarHBondContact O-N 3.19Å; A124-V127 PolarHBondContact O-N 3.37Å; A124-D128 VanDerWaalsContact O-CB 3.29Å; A124-D128 WeakPolarHBondContact O-CB 3.28Å; A124-D128 PolarHBondContact O-N 3.41Å; A124-I149 HydrophobicContact CB-CG2 4.27Å; A124-I153 HydrophobicContact CB-CD1 4.37Å |
| 125 | I | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.6 | -48.4 | 172.2 | -68.2 | 165.6 | 0 | 0 | 0 | 110.2 | T66 F69 I70 L73 T121 L122 T123 V127 D128 R129 L246 | T66-I125 HydrophobicContact CG2-CG2 4.32Å; F69-I125 HydrophobicContact CB-CD1 3.82Å; F69-I125 HydrophobicContact CB-CG1 3.46Å; F69-I125 VanDerWaalsContact CB-CG1 3.46Å; F69-I125 HydrophobicContact CD2-CG1 4.01Å; F69-I125 HydrophobicContact CG-CG1 4.02Å; I70-I125 HydrophobicContact CG1-CD1 4.46Å; L73-I125 HydrophobicContact CD1-CD1 3.86Å; T121-I125 HydrophobicContact CG2-CD1 4.25Å; T121-I125 VanDerWaalsContact O-CG1 3.31Å; T121-I125 WeakPolarHBondContact O-CG1 3.23Å; T121-I125 PolarHBondContact O-N 3.39Å; L122-I125 PolarHBondContact O-N 2.96Å; T123-I125 VanDerWaalsContact C-N 3.31Å; T123-I125 PolarHBondContact O-N 3.31Å; I125-V127 VanDerWaalsContact C-N 3.34Å; I125-V127 PolarHBondContact O-N 3.26Å; I125-D128 PolarHBondContact O-N 3.15Å; I125-R129 HydrophobicContact CG2-CG 4.27Å; I125-R129 VanDerWaalsContact O-CG 3.27Å; I125-R129 WeakPolarHBondContact O-CG 3.46Å; I125-R129 PolarHBondContact O-N 2.68Å; I125-L246 HydrophobicContact CG2-CD1 4.12Å; I125-L246 HydrophobicContact CG2-CD2 3.79Å |
| 126 | A | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L122 T123 R129 Y130 I210 C213 Y214 | L122-A126 PolarHBondContact O-N 3.32Å; T123-A126 WeakPolarHBondContact O-CB 3.47Å; T123-A126 PolarHBondContact O-N 2.97Å; T123-A126 VanDerWaalsContact O-N 3.14Å; A126-R129 PolarHBondContact O-N 3.07Å; A126-Y130 WeakPolarHBondContact O-CB 3.5Å; A126-Y130 PolarHBondContact O-N 3.27Å; A126-I210 HydrophobicContact CB-CB 4.31Å; A126-I210 HydrophobicContact CB-CG1 3.94Å; A126-I210 HydrophobicContact CB-CG2 4.19Å; A126-C213 HydrophobicContact CB-CB 4.02Å; A126-Y214 HydrophobicContact CB-CD1 4.48Å; A126-Y214 HydrophobicContact CB-CE1 3.8Å |
| 127 | V | 95.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 36.7 Ų | 36.7 | 33% | 0.327 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.5 | -44.6 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | T123 A124 I125 R129 Y130 I131 I209 | T123-V127 WeakPolarHBondContact O-CG2 3.32Å; T123-V127 PolarHBondContact O-N 3.49Å; A124-V127 PolarHBondContact O-N 3.37Å; I125-V127 VanDerWaalsContact C-N 3.34Å; I125-V127 PolarHBondContact O-N 3.26Å; V127-R129 PolarHBondContact O-N 3.37Å; V127-Y130 WeakPolarHBondContact O-CB 3.39Å; V127-Y130 PolarHBondContact O-N 2.91Å; V127-I131 HydrophobicContact CG1-CD1 3.84Å; V127-I131 HydrophobicContact CG1-CG1 4.44Å; V127-I131 WeakPolarHBondContact O-CG1 3.3Å; V127-I131 PolarHBondContact O-N 2.95Å; V127-I209 HydrophobicContact CG2-CG2 4.12Å |
| 128 | D | 94.4 | Very high | 93 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -46.9 | 175.5 | 169 | 68.5 | 0 | 0 | 0 | 111.3 | T66 F69 A124 I125 Y130 I131 V132 M141 | T66-D128 PolarHBondContact OG1-OD2 2.99Å; F69-D128 HydrophobicContact CE2-CB 4.39Å; A124-D128 VanDerWaalsContact O-CB 3.29Å; A124-D128 WeakPolarHBondContact O-CB 3.28Å; A124-D128 PolarHBondContact O-N 3.41Å; I125-D128 PolarHBondContact O-N 3.15Å; D128-Y130 VanDerWaalsContact C-N 3.32Å; D128-Y130 PolarHBondContact O-N 3.47Å; D128-I131 PolarHBondContact O-N 2.94Å; D128-V132 WeakPolarHBondContact O-CB 3.43Å; D128-V132 VanDerWaalsContact O-CG2 3.29Å; D128-V132 WeakPolarHBondContact O-CG2 3.34Å; D128-V132 PolarHBondContact O-N 3.48Å; D128-M141 HydrophobicContact CB-CE 3.91Å |
| 129 | R | 93.9 | Very high | 92.4 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 23% | 0.23 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 175.9 | -64.6 | -57.4 | 80.4 | -175.5 | -5.2 | 112.2 | T66 I125 A126 V127 I133 I217 L246 | T66-R129 PolarHBondContact OG1-NE 3.45Å; T66-R129 PolarHBondContact OG1-NH1 2.89Å; T66-R129 PolarHBondContact OG1-NH2 3.33Å; I125-R129 HydrophobicContact CG2-CG 4.27Å; I125-R129 VanDerWaalsContact O-CG 3.27Å; I125-R129 WeakPolarHBondContact O-CG 3.46Å; I125-R129 PolarHBondContact O-N 2.68Å; A126-R129 PolarHBondContact O-N 3.07Å; V127-R129 PolarHBondContact O-N 3.37Å; R129-I133 HydrophobicContact CB-CD1 4.36Å; R129-I133 VanDerWaalsContact O-CB 3.27Å; R129-I133 WeakPolarHBondContact O-CB 3.15Å; R129-I133 VanDerWaalsContact O-CG1 3.24Å; R129-I133 WeakPolarHBondContact O-CG1 3.23Å; R129-I133 PolarHBondContact O-N 3.41Å; R129-I217 HydrophobicContact CB-CD1 4Å; R129-L246 HydrophobicContact CG-CD1 3.63Å |
| 130 | Y | 94.3 | Very high | 92.1 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 31% | 0.31 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 176.1 | 175 | -90.7 | 0 | 0 | 0 | 110.9 | A126 V127 D128 V132 L134 C213 R216 I217 | A126-Y130 WeakPolarHBondContact O-CB 3.5Å; A126-Y130 PolarHBondContact O-N 3.27Å; V127-Y130 WeakPolarHBondContact O-CB 3.39Å; V127-Y130 PolarHBondContact O-N 2.91Å; D128-Y130 VanDerWaalsContact C-N 3.32Å; D128-Y130 PolarHBondContact O-N 3.47Å; Y130-V132 PolarHBondContact O-N 3.47Å; Y130-L134 HydrophobicContact CD2-CD1 3.57Å; Y130-L134 HydrophobicContact CD2-CD2 4.23Å; Y130-L134 HydrophobicContact CD2-CG 4.45Å; Y130-L134 HydrophobicContact CE2-CD1 3.91Å; Y130-L134 HydrophobicContact CE2-CD2 3.67Å; Y130-L134 HydrophobicContact CE2-CG 4.32Å; Y130-L134 HydrophobicContact CG-CD1 4.09Å; Y130-L134 WeakPolarHBondContact O-CB 3.39Å; Y130-L134 VanDerWaalsContact O-CD1 3.23Å; Y130-L134 WeakPolarHBondContact O-CD1 3.27Å; Y130-L134 PolarHBondContact O-N 2.87Å; Y130-C213 HydrophobicContact CD2-CB 4.46Å; Y130-R216 HydrophobicContact CD2-CB 4.1Å; Y130-R216 HydrophobicContact CE2-CB 3.68Å; Y130-R216 HydrophobicContact CE2-CG 4.1Å; Y130-I217 HydrophobicContact CD2-CG1 4.38Å |
| 131 | I | 92.8 | Very high | 91.8 | Very high | 61 Ų | 61 | 60 Ų | 60 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 179.1 | -66.3 | 166.4 | 0 | 0 | 0 | 110.3 | V127 D128 I133 N135 | V127-I131 HydrophobicContact CG1-CD1 3.84Å; V127-I131 HydrophobicContact CG1-CG1 4.44Å; V127-I131 WeakPolarHBondContact O-CG1 3.3Å; V127-I131 PolarHBondContact O-N 2.95Å; D128-I131 PolarHBondContact O-N 2.94Å; I131-I133 PolarHBondContact O-N 3.41Å; I131-N135 WeakPolarHBondContact O-CA 3.43Å; I131-N135 WeakPolarHBondContact O-CB 3.24Å; I131-N135 PolarHBondContact O-N 2.88Å |
| 132 | V | 91 | Very high | 91.7 | Very high | 32 Ų | 32 | 62.7 Ų | 62.7 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.1 | -37 | -175.4 | 171.1 | 0 | 0 | 0 | 0 | 112.6 | D128 Y130 | D128-V132 WeakPolarHBondContact O-CB 3.43Å; D128-V132 VanDerWaalsContact O-CG2 3.29Å; D128-V132 WeakPolarHBondContact O-CG2 3.34Å; D128-V132 PolarHBondContact O-N 3.48Å; Y130-V132 PolarHBondContact O-N 3.47Å |
| 133 | I | 90 | Very high | 91.5 | Very high | 37 Ų | 37 | 65.1 Ų | 65.1 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -85.3 | -41.1 | -175.7 | -63.5 | 168.8 | 0 | 0 | 0 | 111.9 | R129 I131 I217 L221 | R129-I133 HydrophobicContact CB-CD1 4.36Å; R129-I133 VanDerWaalsContact O-CB 3.27Å; R129-I133 WeakPolarHBondContact O-CB 3.15Å; R129-I133 VanDerWaalsContact O-CG1 3.24Å; R129-I133 WeakPolarHBondContact O-CG1 3.23Å; R129-I133 PolarHBondContact O-N 3.41Å; I131-I133 PolarHBondContact O-N 3.41Å; I133-I217 HydrophobicContact CB-CG2 4.31Å; I133-I217 HydrophobicContact CD1-CG2 3.53Å; I133-I217 HydrophobicContact CG2-CG2 3.99Å; I133-L221 HydrophobicContact CG2-CD2 3.98Å; I133-L221 HydrophobicContact CG2-CG 4.35Å |
| 134 | L | 90.5 | Very high | 91.4 | Very high | 48 Ų | 48 | 72.6 Ų | 72.6 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -87.1 | -23.3 | -176.9 | -72.5 | 89.7 | 0 | 0 | 0 | 113.4 | Y130 P136 R216 I217 | Y130-L134 HydrophobicContact CD2-CD1 3.57Å; Y130-L134 HydrophobicContact CD2-CD2 4.23Å; Y130-L134 HydrophobicContact CD2-CG 4.45Å; Y130-L134 HydrophobicContact CE2-CD1 3.91Å; Y130-L134 HydrophobicContact CE2-CD2 3.67Å; Y130-L134 HydrophobicContact CE2-CG 4.32Å; Y130-L134 HydrophobicContact CG-CD1 4.09Å; Y130-L134 WeakPolarHBondContact O-CB 3.39Å; Y130-L134 VanDerWaalsContact O-CD1 3.23Å; Y130-L134 WeakPolarHBondContact O-CD1 3.27Å; Y130-L134 PolarHBondContact O-N 2.87Å; L134-P136 VanDerWaalsContact C-CD 3.41Å; L134-P136 VanDerWaalsContact O-CD 3.31Å; L134-P136 WeakPolarHBondContact O-CD 3.38Å; L134-R216 HydrophobicContact CD2-CB 4.14Å; L134-I217 HydrophobicContact CD1-CB 4.28Å; L134-I217 HydrophobicContact CD1-CG1 3.49Å; L134-I217 VanDerWaalsContact CD1-CG1 3.49Å |
| 135 | N | 87.5 | Confident | 91.4 | Very high | 51 Ų | 51 | 75.3 Ų | 75.3 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | trans | -120.9 | 66.9 | -179.9 | -56.7 | -71.7 | 0 | 0 | 0 | 111.6 | I131 F137 K138 | I131-N135 WeakPolarHBondContact O-CA 3.43Å; I131-N135 WeakPolarHBondContact O-CB 3.24Å; I131-N135 PolarHBondContact O-N 2.88Å; N135-F137 PolarHBondContact O-N 3.21Å; N135-K138 HydrophobicContact CB-CB 3.84Å; N135-K138 HydrophobicContact CB-CD 3.8Å; N135-K138 HydrophobicContact CB-CG 3.81Å; N135-K138 PolarHBondContact O-N 3.34Å | ||
| 136 | P | 82.7 | Confident | 91.4 | Very high | 69 Ų | 69 | 75.3 Ų | 75.3 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.2 | -173.9 | 23.7 | -34.3 | 0 | 0 | 0 | 114.2 | L134 | L134-P136 VanDerWaalsContact C-CD 3.41Å; L134-P136 VanDerWaalsContact O-CD 3.31Å; L134-P136 WeakPolarHBondContact O-CD 3.38Å |
| 137 | F | 82.9 | Confident | 91.4 | Very high | 195 Ų | 195 | 79 Ų | 79 | 86% | 0.855 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -6.8 | -179.6 | -54.8 | -68.5 | 0 | 0 | 0 | 114.2 | N135 | N135-F137 PolarHBondContact O-N 3.21Š|
| 138 | K | 82.7 | Confident | 91.5 | Very high | 138 Ų | 138 | 80.9 Ų | 80.9 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -80 | 150.7 | 175.2 | -74.2 | -169.9 | -178.5 | -176.6 | 0 | 110.5 | N135 R140 | N135-K138 HydrophobicContact CB-CB 3.84Å; N135-K138 HydrophobicContact CB-CD 3.8Å; N135-K138 HydrophobicContact CB-CG 3.81Å; N135-K138 PolarHBondContact O-N 3.34Å; K138-R140 PolarHBondContact O-N 3.39Å |
| 139 | K | 85.4 | Confident | 91.7 | Very high | 181 Ų | 181 | 83 Ų | 83 | 79% | 0.787 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -56 | 125.3 | 174.7 | -174.3 | 176.9 | 179.7 | 178.5 | 0 | 109.5 | ||
| 140 | R | 89.3 | Confident | 91.9 | Very high | 170 Ų | 170 | 81.1 Ų | 81.1 | 64% | 0.642 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 152.4 | 176.4 | -61.2 | -177 | -177.9 | -177.4 | 2.1 | 110.1 | K138 T142 | K138-R140 PolarHBondContact O-N 3.39Å; R140-T142 PolarHBondContact O-N 2.94Å |
| 141 | M | 92.3 | Very high | 92.1 | Very high | 43 Ų | 43 | 82.3 Ų | 82.3 | 21% | 0.212 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 133.3 | 169.6 | -176.6 | 151.4 | 64.9 | 0 | 0 | 109.4 | V65 F69 D128 V145 C146 I149 | V65-M141 HydrophobicContact CG1-CB 4.37Å; V65-M141 HydrophobicContact CG1-CE 3.33Å; V65-M141 HydrophobicContact CG1-CG 4.27Å; V65-M141 WeakPolarHBondContact CG2-O 3.4Å; F69-M141 HydrophobicContact CE2-CE 3.4Å; F69-M141 VanDerWaalsContact CE2-CE 3.4Å; F69-M141 HydrophobicContact CZ-CE 3.63Å; D128-M141 HydrophobicContact CB-CE 3.91Å; M141-V145 HydrophobicContact CG-CB 3.96Å; M141-V145 HydrophobicContact CG-CG1 3.88Å; M141-V145 HydrophobicContact SD-CB 4.46Å; M141-V145 HydrophobicContact SD-CG1 3.81Å; M141-C146 HydrophobicContact CG-CB 4.49Å; M141-I149 HydrophobicContact CE-CD1 4.34Å; M141-I149 HydrophobicContact SD-CD1 3.49Å; M141-I149 WeakPolarHBondContact SD-CD1 3.39Å |
| 142 | T | 94 | Very high | 92.4 | Very high | 55 Ų | 55 | 82.3 Ų | 82.3 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 158.5 | 175.5 | 66 | 0 | 0 | 0 | 0 | 109.5 | R140 K144 V145 C146 | R140-T142 PolarHBondContact O-N 2.94Å; T142-K144 PolarHBondContact O-N 3.35Å; T142-V145 PolarHBondContact O-N 3.28Å; T142-V145 WeakPolarHBondContact OG1-CG2 3.32Å; T142-V145 PolarHBondContact OG1-N 3.32Å; T142-C146 PolarHBondContact O-N 3.05Å |
| 143 | V | 93.6 | Very high | 92.7 | Very high | 56 Ų | 56 | 81.3 Ų | 81.3 | 34% | 0.339 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.2 | -36.8 | 174.4 | 175.8 | 0 | 0 | 0 | 0 | 111 | V65 F68 V145 C146 L147 | V65-V143 HydrophobicContact CG2-CG2 4.3Å; F68-V143 HydrophobicContact CD2-CG1 3.91Å; F68-V143 HydrophobicContact CD2-CG2 4.26Å; F68-V143 HydrophobicContact CE2-CB 4.43Å; F68-V143 HydrophobicContact CE2-CG1 3.56Å; F68-V143 HydrophobicContact CE2-CG2 3.95Å; F68-V143 HydrophobicContact CZ-CG1 4.18Å; V143-V145 PolarHBondContact O-N 3.48Å; V143-C146 WeakPolarHBondContact O-CB 3.47Å; V143-C146 PolarHBondContact O-N 3.39Å; V143-L147 HydrophobicContact CG1-CD1 4.04Å; V143-L147 HydrophobicContact CG1-CG 4.19Å; V143-L147 WeakPolarHBondContact O-CG 3.32Å; V143-L147 PolarHBondContact O-N 3.02Å |
| 144 | K | 95.9 | Very high | 93.1 | Very high | 174 Ų | 174 | 82.9 Ų | 82.9 | 76% | 0.757 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -57.3 | -49.3 | 176.1 | -65.1 | -174.4 | 178.7 | -176 | 0 | 112 | T142 C146 L147 T148 | T142-K144 PolarHBondContact O-N 3.35Å; K144-C146 VanDerWaalsContact C-N 3.35Å; K144-L147 PolarHBondContact O-N 2.63Å; K144-T148 PolarHBondContact O-N 2.86Å; K144-T148 PolarHBondContact O-OG1 3.38Å; K144-T148 VanDerWaalsContact O-OG1 3.11Å |
| 145 | V | 96.6 | Very high | 93.5 | Very high | 73 Ų | 73 | 86 Ų | 86 | 44% | 0.442 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | M141 T142 V143 L147 T148 I149 | M141-V145 HydrophobicContact CG-CB 3.96Å; M141-V145 HydrophobicContact CG-CG1 3.88Å; M141-V145 HydrophobicContact SD-CB 4.46Å; M141-V145 HydrophobicContact SD-CG1 3.81Å; T142-V145 PolarHBondContact O-N 3.28Å; T142-V145 WeakPolarHBondContact OG1-CG2 3.32Å; T142-V145 PolarHBondContact OG1-N 3.32Å; V143-V145 PolarHBondContact O-N 3.48Å; V145-L147 PolarHBondContact O-N 2.89Å; V145-T148 PolarHBondContact O-N 3.18Å; V145-I149 HydrophobicContact CG1-CD1 3.99Å; V145-I149 HydrophobicContact CG1-CG1 4.5Å; V145-I149 WeakPolarHBondContact O-CG1 3.33Å; V145-I149 PolarHBondContact O-N 3.21Å |
| 146 | C | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 175.8 | 174.9 | 0 | 0 | 0 | 0 | 112.3 | V65 F69 M141 T142 V143 K144 I149 I150 | V65-C146 HydrophobicContact CB-CB 4.43Å; V65-C146 HydrophobicContact CG1-CB 3.92Å; V65-C146 HydrophobicContact CG2-CB 4.12Å; F69-C146 HydrophobicContact CZ-CB 4.35Å; M141-C146 HydrophobicContact CG-CB 4.49Å; T142-C146 PolarHBondContact O-N 3.05Å; V143-C146 WeakPolarHBondContact O-CB 3.47Å; V143-C146 PolarHBondContact O-N 3.39Å; K144-C146 VanDerWaalsContact C-N 3.35Å; C146-I149 WeakPolarHBondContact O-CB 3.47Å; C146-I149 PolarHBondContact O-N 3.21Å; C146-I150 WeakPolarHBondContact O-CG1 3.17Å; C146-I150 PolarHBondContact O-N 3.3Å |
| 147 | L | 97.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 84.6 Ų | 84.6 | 40% | 0.398 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 177.2 | -67.6 | 174.7 | 0 | 0 | 0 | 112.2 | V143 K144 V145 I149 I150 I151 | V143-L147 HydrophobicContact CG1-CD1 4.04Å; V143-L147 HydrophobicContact CG1-CG 4.19Å; V143-L147 WeakPolarHBondContact O-CG 3.32Å; V143-L147 PolarHBondContact O-N 3.02Å; K144-L147 PolarHBondContact O-N 2.63Å; V145-L147 PolarHBondContact O-N 2.89Å; L147-I149 VanDerWaalsContact C-N 3.33Å; L147-I149 PolarHBondContact O-N 3.32Å; L147-I150 HydrophobicContact CD2-CD1 4.46Å; L147-I150 PolarHBondContact O-N 3.5Å; L147-I151 WeakPolarHBondContact O-CG1 3.2Å; L147-I151 PolarHBondContact O-N 3.1Å |
| 148 | T | 98 | Very high | 95.3 | Very high | 95 Ų | 95 | 78.9 Ų | 78.9 | 58% | 0.583 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.3 | -42.9 | 172.6 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | K144 V145 I151 S152 | K144-T148 PolarHBondContact O-N 2.86Å; K144-T148 PolarHBondContact O-OG1 3.38Å; K144-T148 VanDerWaalsContact O-OG1 3.11Å; V145-T148 PolarHBondContact O-N 3.18Å; T148-I151 PolarHBondContact O-N 3.2Å; T148-S152 PolarHBondContact O-N 2.96Å; T148-S152 PolarHBondContact O-OG 3.24Å |
| 149 | I | 98.2 | Very high | 95.9 | Very high | 50 Ų | 50 | 77.6 Ų | 77.6 | 26% | 0.256 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 175.6 | -68.6 | 166.8 | 0 | 0 | 0 | 110.3 | F69 A124 M141 V145 C146 L147 I151 S152 I153 | F69-I149 HydrophobicContact CE1-CB 4.38Å; F69-I149 HydrophobicContact CE1-CG2 3.95Å; F69-I149 HydrophobicContact CZ-CB 4.48Å; F69-I149 HydrophobicContact CZ-CG2 4.17Å; A124-I149 HydrophobicContact CB-CG2 4.27Å; M141-I149 HydrophobicContact CE-CD1 4.34Å; M141-I149 HydrophobicContact SD-CD1 3.49Å; M141-I149 WeakPolarHBondContact SD-CD1 3.39Å; V145-I149 HydrophobicContact CG1-CD1 3.99Å; V145-I149 HydrophobicContact CG1-CG1 4.5Å; V145-I149 WeakPolarHBondContact O-CG1 3.33Å; V145-I149 PolarHBondContact O-N 3.21Å; C146-I149 WeakPolarHBondContact O-CB 3.47Å; C146-I149 PolarHBondContact O-N 3.21Å; L147-I149 VanDerWaalsContact C-N 3.33Å; L147-I149 PolarHBondContact O-N 3.32Å; I149-I151 PolarHBondContact O-N 3.28Å; I149-S152 WeakPolarHBondContact CA-OG 3.03Å; I149-S152 PolarHBondContact O-N 3.31Å; I149-S152 PolarHBondContact O-OG 2.83Å; I149-I153 HydrophobicContact CG2-CD1 3.78Å; I149-I153 HydrophobicContact CG2-CG1 4.27Å; I149-I153 WeakPolarHBondContact O-CG1 3.23Å; I149-I153 PolarHBondContact O-N 3.46Å |
| 150 | I | 98.5 | Very high | 96.3 | Very high | 20 Ų | 20 | 70.4 Ų | 70.4 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.7 | -52.3 | 176.8 | -72.9 | 167.4 | 0 | 0 | 0 | 110.5 | F68 F69 N72 C146 L147 S152 I153 W154 | F68-I150 HydrophobicContact CB-CD1 4.35Å; F69-I150 HydrophobicContact CD1-CD1 4.06Å; F69-I150 HydrophobicContact CD1-CG1 3.79Å; F69-I150 HydrophobicContact CE1-CD1 4.37Å; F69-I150 HydrophobicContact CE1-CG1 3.86Å; N72-I150 HydrophobicContact CB-CD1 4.04Å; N72-I150 HydrophobicContact CB-CG1 4.17Å; N72-I150 HydrophobicContact CB-CG2 4.39Å; N72-I150 VanDerWaalsContact OD1-CG2 3.25Å; N72-I150 WeakPolarHBondContact OD1-CG2 3.19Å; C146-I150 WeakPolarHBondContact O-CG1 3.17Å; C146-I150 PolarHBondContact O-N 3.3Å; L147-I150 HydrophobicContact CD2-CD1 4.46Å; L147-I150 PolarHBondContact O-N 3.5Å; I150-S152 VanDerWaalsContact C-N 3.28Å; I150-S152 PolarHBondContact O-N 3.26Å; I150-I153 WeakPolarHBondContact O-CB 3.41Å; I150-I153 PolarHBondContact O-N 3.37Å; I150-W154 VanDerWaalsContact O-CD1 3.26Å; I150-W154 PolarHBondContact O-N 3.35Å; I150-W154 VanDerWaalsContact O-N 3.09Å |
| 151 | I | 98.2 | Very high | 96.6 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 54% | 0.538 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.8 | -43.1 | 179.3 | -65.9 | 165.1 | 0 | 0 | 0 | 110.9 | L147 T148 I149 I153 W154 L155 | L147-I151 WeakPolarHBondContact O-CG1 3.2Å; L147-I151 PolarHBondContact O-N 3.1Å; T148-I151 PolarHBondContact O-N 3.2Å; I149-I151 PolarHBondContact O-N 3.28Å; I151-I153 VanDerWaalsContact C-N 3.33Å; I151-I153 PolarHBondContact O-N 2.81Å; I151-W154 PolarHBondContact O-N 3.05Å; I151-L155 HydrophobicContact CG2-CD1 4.11Å; I151-L155 HydrophobicContact CG2-CG 4.5Å; I151-L155 WeakPolarHBondContact O-CG 2.99Å; I151-L155 PolarHBondContact O-N 3.26Å; I151-L155 VanDerWaalsContact O-N 3.09Å |
| 152 | S | 98.3 | Very high | 96.7 | Very high | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 176.7 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | T148 I149 I150 L155 F156 | T148-S152 PolarHBondContact O-N 2.96Å; T148-S152 PolarHBondContact O-OG 3.24Å; I149-S152 WeakPolarHBondContact CA-OG 3.03Å; I149-S152 PolarHBondContact O-N 3.31Å; I149-S152 PolarHBondContact O-OG 2.83Å; I150-S152 VanDerWaalsContact C-N 3.28Å; I150-S152 PolarHBondContact O-N 3.26Å; S152-L155 PolarHBondContact O-N 3.28Å; S152-F156 WeakPolarHBondContact O-CB 3.27Å; S152-F156 PolarHBondContact O-N 2.97Å |
| 153 | I | 98.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.1 | -73.2 | 169.5 | 0 | 0 | 0 | 110.2 | I117 L120 A124 I149 I150 I151 S157 | I117-I153 HydrophobicContact CB-CG2 4.21Å; I117-I153 HydrophobicContact CG1-CG2 4.18Å; I117-I153 HydrophobicContact CG2-CG2 4.11Å; L120-I153 HydrophobicContact CB-CD1 4.2Å; L120-I153 HydrophobicContact CB-CG1 3.98Å; L120-I153 HydrophobicContact CB-CG2 3.91Å; L120-I153 HydrophobicContact CD1-CG2 4.3Å; A124-I153 HydrophobicContact CB-CD1 4.37Å; I149-I153 HydrophobicContact CG2-CD1 3.78Å; I149-I153 HydrophobicContact CG2-CG1 4.27Å; I149-I153 WeakPolarHBondContact O-CG1 3.23Å; I149-I153 PolarHBondContact O-N 3.46Å; I150-I153 WeakPolarHBondContact O-CB 3.41Å; I150-I153 PolarHBondContact O-N 3.37Å; I151-I153 VanDerWaalsContact C-N 3.33Å; I151-I153 PolarHBondContact O-N 2.81Å; I153-S157 WeakPolarHBondContact O-CB 3.45Å; I153-S157 PolarHBondContact O-N 3.24Å; I153-S157 PolarHBondContact O-OG 3.03Å |
| 154 | W | 98.2 | Very high | 96.5 | Very high | 69 Ų | 69 | 61.1 Ų | 61.1 | 26% | 0.261 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -51.5 | 178.1 | -80.6 | 84.5 | 0 | 0 | 0 | 111.9 | N72 V75 F79 I117 I150 I151 F156 S157 L158 | N72-W154 PolarHBondContact OD1-NE1 3.36Å; V75-W154 HydrophobicContact CG1-CH2 4.44Å; V75-W154 HydrophobicContact CG1-CZ2 4.1Å; F79-W154 AromaticContact CD2-CH2 3.82Å; F79-W154 HydrophobicContact CD2-CH2 3.82Å; F79-W154 AromaticContact CE2-CH2 3.96Å; F79-W154 HydrophobicContact CE2-CH2 3.96Å; I117-W154 HydrophobicContact CD1-CD2 3.64Å; I117-W154 HydrophobicContact CD1-CE3 3.51Å; I117-W154 HydrophobicContact CD1-CG 4.28Å; I117-W154 HydrophobicContact CD1-CH2 4.01Å; I117-W154 HydrophobicContact CD1-CZ2 4.13Å; I117-W154 HydrophobicContact CD1-CZ3 3.7Å; I117-W154 HydrophobicContact CG1-CD2 4.4Å; I150-W154 VanDerWaalsContact O-CD1 3.26Å; I150-W154 PolarHBondContact O-N 3.35Å; I150-W154 VanDerWaalsContact O-N 3.09Å; I151-W154 PolarHBondContact O-N 3.05Å; W154-F156 PolarHBondContact O-N 2.97Å; W154-S157 PolarHBondContact O-N 2.9Å; W154-L158 WeakPolarHBondContact O-CG 3.46Å; W154-L158 PolarHBondContact O-N 2.89Å |
| 155 | L | 97.8 | Very high | 96.4 | Very high | 114 Ų | 114 | 52.8 Ų | 52.8 | 60% | 0.597 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | -179.3 | -65.8 | 176.7 | 0 | 0 | 0 | 111.8 | I151 S152 L158 M159 | I151-L155 HydrophobicContact CG2-CD1 4.11Å; I151-L155 HydrophobicContact CG2-CG 4.5Å; I151-L155 WeakPolarHBondContact O-CG 2.99Å; I151-L155 PolarHBondContact O-N 3.26Å; I151-L155 VanDerWaalsContact O-N 3.09Å; S152-L155 PolarHBondContact O-N 3.28Å; L155-L158 PolarHBondContact O-N 2.8Å; L155-M159 WeakPolarHBondContact O-CB 3.47Å; L155-M159 PolarHBondContact O-N 3.37Å |
| 156 | F | 96.9 | Very high | 96.2 | Very high | 91 Ų | 91 | 55.6 Ų | 55.6 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 179.9 | -172.7 | -110.5 | 0 | 0 | 0 | 112 | L120 S152 W154 M159 L160 | L120-F156 HydrophobicContact CD1-CD1 3.81Å; L120-F156 HydrophobicContact CD1-CE1 4.42Å; S152-F156 WeakPolarHBondContact O-CB 3.27Å; S152-F156 PolarHBondContact O-N 2.97Å; W154-F156 PolarHBondContact O-N 2.97Å; F156-M159 HydrophobicContact CD2-CE 3.57Å; F156-M159 HydrophobicContact CE2-CE 3.54Å; F156-M159 PolarHBondContact O-N 3.18Å; F156-L160 HydrophobicContact CD1-CD1 3.82Å; F156-L160 HydrophobicContact CD1-CG 4.33Å; F156-L160 HydrophobicContact CE1-CD1 3.38Å; F156-L160 HydrophobicContact CE1-CG 4.05Å; F156-L160 HydrophobicContact CE2-CD2 4.46Å; F156-L160 HydrophobicContact CE2-CG 4.41Å; F156-L160 HydrophobicContact CZ-CD1 3.8Å; F156-L160 HydrophobicContact CZ-CD2 4.14Å; F156-L160 HydrophobicContact CZ-CG 4.08Å; F156-L160 WeakPolarHBondContact O-CG 3.35Å; F156-L160 PolarHBondContact O-N 3.27Å |
| 157 | S | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.7 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | F116 I117 I153 W154 M159 L160 V161 | F116-S157 WeakPolarHBondContact CB-OG 3.45Å; I117-S157 WeakPolarHBondContact CG1-OG 3.15Å; I117-S157 PolarHBondContact N-OG 2.93Å; I153-S157 WeakPolarHBondContact O-CB 3.45Å; I153-S157 PolarHBondContact O-N 3.24Å; I153-S157 PolarHBondContact O-OG 3.03Å; W154-S157 PolarHBondContact O-N 2.9Å; S157-M159 VanDerWaalsContact C-N 3.33Å; S157-M159 PolarHBondContact O-N 2.9Å; S157-L160 PolarHBondContact O-N 3.39Å; S157-V161 WeakPolarHBondContact O-CB 3.49Å; S157-V161 VanDerWaalsContact O-CG2 3.24Å; S157-V161 WeakPolarHBondContact O-CG2 3.44Å; S157-V161 PolarHBondContact O-N 3.27Å |
| 158 | L | 96.2 | Very high | 95.8 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 175.2 | -71.6 | 169.2 | 0 | 0 | 0 | 111.5 | A113 W154 L155 V161 A162 | A113-L158 HydrophobicContact CB-CD2 3.93Å; W154-L158 WeakPolarHBondContact O-CG 3.46Å; W154-L158 PolarHBondContact O-N 2.89Å; L155-L158 PolarHBondContact O-N 2.8Å; L158-V161 PolarHBondContact O-N 3.28Å; L158-A162 WeakPolarHBondContact O-CB 3.44Å; L158-A162 PolarHBondContact O-N 2.91Å |
| 159 | M | 95.8 | Very high | 95.5 | Very high | 112 Ų | 112 | 55.4 Ų | 55.4 | 55% | 0.552 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.1 | -46 | 176.8 | -175.3 | -165.8 | 78.8 | 0 | 0 | 112.2 | L155 F156 S157 V161 A162 | L155-M159 WeakPolarHBondContact O-CB 3.47Å; L155-M159 PolarHBondContact O-N 3.37Å; F156-M159 HydrophobicContact CD2-CE 3.57Å; F156-M159 HydrophobicContact CE2-CE 3.54Å; F156-M159 PolarHBondContact O-N 3.18Å; S157-M159 VanDerWaalsContact C-N 3.33Å; S157-M159 PolarHBondContact O-N 2.9Å; M159-V161 VanDerWaalsContact C-N 3.26Å; M159-V161 PolarHBondContact O-N 2.91Å; M159-A162 PolarHBondContact O-N 2.94Å |
| 160 | L | 94.9 | Very high | 95.3 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -31.7 | 179.5 | -73.9 | -179.6 | 0 | 0 | 0 | 112.9 | F116 F156 S157 Y194 L201 | F116-L160 HydrophobicContact CD1-CD1 3.72Å; F116-L160 HydrophobicContact CE1-CD1 3.5Å; F116-L160 HydrophobicContact CE2-CB 4.23Å; F116-L160 HydrophobicContact CG-CD1 4.38Å; F116-L160 HydrophobicContact CZ-CB 4.24Å; F116-L160 HydrophobicContact CZ-CD1 3.98Å; F156-L160 HydrophobicContact CD1-CD1 3.82Å; F156-L160 HydrophobicContact CD1-CG 4.33Å; F156-L160 HydrophobicContact CE1-CD1 3.38Å; F156-L160 HydrophobicContact CE1-CG 4.05Å; F156-L160 HydrophobicContact CE2-CD2 4.46Å; F156-L160 HydrophobicContact CE2-CG 4.41Å; F156-L160 HydrophobicContact CZ-CD1 3.8Å; F156-L160 HydrophobicContact CZ-CD2 4.14Å; F156-L160 HydrophobicContact CZ-CG 4.08Å; F156-L160 WeakPolarHBondContact O-CG 3.35Å; F156-L160 PolarHBondContact O-N 3.27Å; S157-L160 PolarHBondContact O-N 3.39Å; L160-Y194 WeakPolarHBondContact O-CE2 3.32Å; L160-Y194 PolarHBondContact O-OH 3.46Å; L160-L201 HydrophobicContact CD1-CD1 4.2Å; L160-L201 HydrophobicContact CD2-CD1 3.74Å |
| 161 | V | 95.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -93.7 | -15.9 | -176.1 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | M109 G112 F116 S157 L158 M159 P163 Y164 G165 Y194 | M109-V161 HydrophobicContact CB-CG1 4.45Å; G112-V161 VanDerWaalsContact C-CG2 3.46Å; F116-V161 HydrophobicContact CD2-CG2 3.39Å; F116-V161 HydrophobicContact CE2-CG2 3.67Å; S157-V161 WeakPolarHBondContact O-CB 3.49Å; S157-V161 VanDerWaalsContact O-CG2 3.24Å; S157-V161 WeakPolarHBondContact O-CG2 3.44Å; S157-V161 PolarHBondContact O-N 3.27Å; L158-V161 PolarHBondContact O-N 3.28Å; M159-V161 VanDerWaalsContact C-N 3.26Å; M159-V161 PolarHBondContact O-N 2.91Å; V161-P163 VanDerWaalsContact C-CD 3.48Å; V161-Y164 HydrophobicContact CG1-CD1 4.42Å; V161-Y164 WeakPolarHBondContact O-CB 3.29Å; V161-Y164 PolarHBondContact O-N 3.35Å; V161-Y164 VanDerWaalsContact O-N 3.09Å; V161-G165 PolarHBondContact O-N 3.46Å; V161-G165 VanDerWaalsContact O-N 3.11Å; V161-Y194 WeakPolarHBondContact CA-OH 3.25Å |
| 162 | A | 93.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.2 | -43.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L158 M159 Y164 G165 L166 | L158-A162 WeakPolarHBondContact O-CB 3.44Å; L158-A162 PolarHBondContact O-N 2.91Å; M159-A162 PolarHBondContact O-N 2.94Å; A162-Y164 VanDerWaalsContact C-N 3.34Å; A162-Y164 PolarHBondContact O-N 2.93Å; A162-G165 PolarHBondContact O-N 3.05Å; A162-G165 VanDerWaalsContact O-N 3.15Å; A162-L166 WeakPolarHBondContact O-CB 3.39Å; A162-L166 VanDerWaalsContact O-CG 3.28Å; A162-L166 WeakPolarHBondContact O-CG 3.29Å; A162-L166 PolarHBondContact O-N 3.01Å |
| 163 | P | 92.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 55.3 Ų | 55.3 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.7 | -46.3 | 176.5 | -25.6 | 35.5 | 0 | 0 | 0 | 112.5 | V161 G165 L166 H167 W185 Y194 | V161-P163 VanDerWaalsContact C-CD 3.48Å; P163-G165 VanDerWaalsContact C-N 3.33Å; P163-G165 PolarHBondContact O-N 3.4Å; P163-L166 PolarHBondContact O-N 2.97Å; P163-H167 WeakPolarHBondContact O-CB 3.14Å; P163-H167 PolarHBondContact O-CD2 3.44Å; P163-H167 PolarHBondContact O-N 3.45Å; P163-W185 HydrophobicContact CB-CH2 4.23Å; P163-Y194 HydrophobicContact CB-CD2 4.28Å; P163-Y194 HydrophobicContact CB-CE2 3.87Å; P163-Y194 HydrophobicContact CG-CE2 4.05Å |
| 164 | Y | 91.3 | Very high | 93.3 | Very high | 51 Ų | 51 | 62.4 Ų | 62.4 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 176.4 | -177.9 | -125.8 | 0 | 0 | 0 | 112.1 | P108 V161 A162 H167 M168 E183 Y194 | P108-Y164 HydrophobicContact CB-CD1 3.88Å; P108-Y164 HydrophobicContact CB-CE1 3.3Å; V161-Y164 HydrophobicContact CG1-CD1 4.42Å; V161-Y164 WeakPolarHBondContact O-CB 3.29Å; V161-Y164 PolarHBondContact O-N 3.35Å; V161-Y164 VanDerWaalsContact O-N 3.09Å; A162-Y164 VanDerWaalsContact C-N 3.34Å; A162-Y164 PolarHBondContact O-N 2.93Å; Y164-H167 PolarHBondContact O-N 2.83Å; Y164-M168 HydrophobicContact CE2-SD 4.45Å; Y164-M168 VanDerWaalsContact O-CG 3.26Å; Y164-M168 WeakPolarHBondContact O-CG 3.3Å; Y164-M168 PolarHBondContact O-N 3.43Å; Y164-E183 WeakPolarHBondContact CD2-OE1 3.42Å; Y164-E183 HydrophobicContact CE2-CG 4.4Å; Y164-E183 WeakPolarHBondContact CE2-OE1 3.34Å; Y164-Y194 WeakPolarHBondContact CB-OH 3.37Å; Y164-Y194 HydrophobicContact CG-CE1 4.39Å |
| 165 | G | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H105 V161 A162 P163 M168 | H105-G165 PolarHBondContact ND1-O 2.79Å; V161-G165 PolarHBondContact O-N 3.46Å; V161-G165 VanDerWaalsContact O-N 3.11Å; A162-G165 PolarHBondContact O-N 3.05Å; A162-G165 VanDerWaalsContact O-N 3.15Å; P163-G165 VanDerWaalsContact C-N 3.33Å; P163-G165 PolarHBondContact O-N 3.4Å; G165-M168 PolarHBondContact O-N 3.06Å |
| 166 | L | 92.3 | Very high | 91.5 | Very high | 131 Ų | 131 | 60.8 Ų | 60.8 | 69% | 0.686 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71.3 | -32.9 | -179.5 | -68.7 | 172.7 | 0 | 0 | 0 | 112.1 | A162 P163 M168 | A162-L166 WeakPolarHBondContact O-CB 3.39Å; A162-L166 VanDerWaalsContact O-CG 3.28Å; A162-L166 WeakPolarHBondContact O-CG 3.29Å; A162-L166 PolarHBondContact O-N 3.01Å; P163-L166 PolarHBondContact O-N 2.97Å; L166-M168 VanDerWaalsContact C-N 3.3Å |
| 167 | H | 92.9 | Very high | 91 | Very high | 62 Ų | 62 | 62 Ų | 62 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -1.8 | 175.9 | -77.1 | -70.8 | 0 | 0 | 0 | 114.1 | P163 Y164 E183 L184 W185 | P163-H167 WeakPolarHBondContact O-CB 3.14Å; P163-H167 PolarHBondContact O-CD2 3.44Å; P163-H167 PolarHBondContact O-N 3.45Å; Y164-H167 PolarHBondContact O-N 2.83Å; H167-E183 CarbonylContact O-C 3.6Å; H167-E183 WeakPolarHBondContact O-CA 3.49Å; H167-L184 PolarHBondContact ND1-O 3.37Å; H167-L184 PolarHBondContact O-N 3.07Å; H167-W185 HydrophobicContact CB-CD2 4.28Å; H167-W185 HydrophobicContact CB-CZ2 4.28Å; H167-W185 AromaticContact CD2-CD2 3.94Å; H167-W185 AromaticContact CD2-CE3 3.67Å; H167-W185 AromaticContact CD2-CH2 3.64Å; H167-W185 AromaticContact CD2-CZ2 3.89Å; H167-W185 AromaticContact CD2-CZ3 3.52Å; H167-W185 AromaticContact CE1-CE3 3.96Å; H167-W185 AromaticContact CG-CD2 3.86Å; H167-W185 AromaticContact CG-CE2 3.95Å; H167-W185 AromaticContact NE2-CE3 3.66Å; H167-W185 AromaticContact NE2-CZ3 3.62Å |
| 168 | M | 93.5 | Very high | 90.5 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.3 | 172 | -73.8 | -70.2 | -80.1 | 0 | 0 | 110.1 | H105 P108 Y164 G165 L166 C181 E183 | H105-M168 PolarHBondContact CE1-O 2.97Å; H105-M168 PolarHBondContact ND1-O 3.37Å; H105-M168 PolarHBondContact NE2-O 3.04Å; P108-M168 HydrophobicContact CB-CE 4.26Å; P108-M168 HydrophobicContact CB-CG 4.18Å; P108-M168 HydrophobicContact CG-CE 3.42Å; P108-M168 VanDerWaalsContact CG-CE 3.42Å; P108-M168 HydrophobicContact CG-CG 3.96Å; P108-M168 HydrophobicContact CG-SD 4.42Å; Y164-M168 HydrophobicContact CE2-SD 4.45Å; Y164-M168 VanDerWaalsContact O-CG 3.26Å; Y164-M168 WeakPolarHBondContact O-CG 3.3Å; Y164-M168 PolarHBondContact O-N 3.43Å; G165-M168 PolarHBondContact O-N 3.06Å; L166-M168 VanDerWaalsContact C-N 3.3Å; M168-C181 VanDerWaalsContact CE-SG 3.53Å; M168-E183 HydrophobicContact SD-CB 3.74Å; M168-E183 HydrophobicContact SD-CG 4.34Å |
| 169 | E | 92.1 | Very high | 90.2 | Very high | 88 Ų | 88 | 63.2 Ų | 63.2 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 140.4 | -176.9 | -168.2 | -178.8 | 159.8 | 0 | 0 | 111.9 | H171 R182 L184 | E169-H171 PolarHBondContact O-N 3.34Å; E169-R182 PolarHBondContact N-O 3.18Å; E169-R182 PolarHBondContact O-N 2.94Å; E169-L184 VanDerWaalsContact OE2-CD2 3.23Å; E169-L184 WeakPolarHBondContact OE2-CD2 3.5Å |
| 170 | L | 93.3 | Very high | 89.9 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 96.7 | 169.3 | -173.2 | 70.9 | 0 | 0 | 0 | 110 | W97 N101 C104 H179 | W97-L170 HydrophobicContact CB-CD1 4.15Å; W97-L170 HydrophobicContact CG-CD1 3.91Å; N101-L170 HydrophobicContact CB-CB 4.44Å; N101-L170 HydrophobicContact CB-CD2 4.16Å; N101-L170 VanDerWaalsContact OD1-CB 3.28Å; N101-L170 WeakPolarHBondContact OD1-CB 3.44Å; C104-L170 HydrophobicContact CB-CB 4.42Å; L170-H179 HydrophobicContact CD1-CB 3.77Å; L170-H179 HydrophobicContact CG-CB 4.24Å |
| 171 | H | 90.9 | Very high | 89.7 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.4 | 179.9 | -173.4 | 77.2 | 0 | 0 | 0 | 111.2 | E169 H179 V180 R182 | E169-H171 PolarHBondContact O-N 3.34Å; H171-H179 WeakPolarHBondContact O-CA 3.25Å; H171-V180 HydrophobicContact CB-CG2 4.15Å; H171-V180 PolarHBondContact N-O 2.55Å; H171-V180 PolarHBondContact O-N 2.94Å; H171-R182 HydrophobicContact CB-CG 4.26Å |
| 172 | Y | 90.3 | Very high | 89.3 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 114.9 | 170.4 | -179.9 | -103.5 | 0 | 0 | 0 | 109.8 | Q174 D177 H179 | Y172-Q174 HydrophobicContact CD1-CG 4.14Å; Y172-Q174 HydrophobicContact CE1-CG 4.15Å; Y172-Q174 PolarHBondContact O-N 3.45Å; Y172-D177 PolarHBondContact OH-OD1 3.37Å; Y172-H179 AromaticContact CD2-CE1 3.81Å; Y172-H179 AromaticContact CD2-NE2 3.8Å |
| 173 | S | 86.1 | Confident | 89.1 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 105.3 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | Q175 C176 D177 Y178 | S173-Q175 PolarHBondContact O-N 3.38Å; S173-Q175 PolarHBondContact OG-OE1 3Å; S173-C176 PolarHBondContact O-N 3.43Å; S173-C176 PolarHBondContact OG-N 3.04Å; S173-C176 PolarHBondContact OG-SG 2.93Å; S173-C176 VanDerWaalsContact OG-SG 3.38Å; S173-D177 PolarHBondContact O-N 3.2Å; S173-Y178 PolarHBondContact N-O 2.97Å |
| 174 | Q | 84.7 | Confident | 88.8 | Confident | 161 Ų | 161 | 66.5 Ų | 66.5 | 75% | 0.752 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30.7 | 173.7 | -68.9 | -173.1 | -16.7 | 0 | 0 | 112.1 | Y172 | Y172-Q174 HydrophobicContact CD1-CG 4.14Å; Y172-Q174 HydrophobicContact CE1-CG 4.15Å; Y172-Q174 PolarHBondContact O-N 3.45Å |
| 175 | Q | 77.9 | Confident | 88.7 | Confident | 121 Ų | 121 | 65.7 Ų | 65.7 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -33 | -179 | -61 | 78.7 | 9.6 | 0 | 0 | 112.3 | C16 S173 | C16-Q175 PolarHBondContact SG-O 3.36Å; S173-Q175 PolarHBondContact O-N 3.38Å; S173-Q175 PolarHBondContact OG-OE1 3Å |
| 176 | C | 79.8 | Confident | 88.3 | Confident | 28 Ų | 28 | 73.8 Ų | 73.8 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -6.4 | -174 | -41.3 | 0 | 0 | 0 | 0 | 114.3 | C16 S173 Y178 | C16-C176 HydrophobicContact CB-CB 3.65Å; C16-C176 WeakPolarHBondContact CB-SG 3.42Å; C16-C176 WeakPolarHBondContact SG-CA 3.46Å; C16-C176 WeakPolarHBondContact SG-CB 3.36Å; C16-C176 PolarHBondContact SG-N 3.39Å; C16-C176 VanDerWaalsContact SG-N 3.44Å; C16-C176 CovalentContact SG-SG 2.03Å; C16-C176 PolarHBondContact SG-SG 2.77Å; S173-C176 PolarHBondContact O-N 3.43Å; S173-C176 PolarHBondContact OG-N 3.04Å; S173-C176 PolarHBondContact OG-SG 2.93Å; S173-C176 VanDerWaalsContact OG-SG 3.38Å; C176-Y178 HydrophobicContact CB-CD1 3.68Å; C176-Y178 HydrophobicContact CB-CE1 3.11Å; C176-Y178 HydrophobicContact CB-CE2 4.22Å; C176-Y178 HydrophobicContact CB-CG 4.41Å; C176-Y178 VanDerWaalsContact CB-CZ 3.42Å; C176-Y178 WeakPolarHBondContact O-CD1 3.42Å; C176-Y178 WeakPolarHBondContact O-CE1 3.36Å; C176-Y178 PolarHBondContact O-N 3.36Å |
| 177 | D | 87 | Confident | 87.9 | Confident | 117 Ų | 117 | 73.4 Ų | 73.4 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 43.9 | -177 | -167.2 | 23.2 | 0 | 0 | 0 | 113.9 | Y172 S173 | Y172-D177 PolarHBondContact OH-OD1 3.37Å; S173-D177 PolarHBondContact O-N 3.2Å |
| 178 | Y | 87 | Confident | 87.4 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 7% | 0.071 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 164 | 170.4 | 58 | -101.8 | 0 | 0 | 0 | 112.5 | G95 R96 S173 C176 V180 | G95-Y178 VanDerWaalsContact O-CE2 3.26Å; G95-Y178 WeakPolarHBondContact O-CE2 3.45Å; R96-Y178 HydrophobicContact CB-CD1 4.48Å; R96-Y178 HydrophobicContact CB-CD2 3.49Å; R96-Y178 VanDerWaalsContact CB-CD2 3.49Å; R96-Y178 HydrophobicContact CB-CE2 4.15Å; R96-Y178 HydrophobicContact CB-CG 3.69Å; S173-Y178 PolarHBondContact N-O 2.97Å; C176-Y178 HydrophobicContact CB-CD1 3.68Å; C176-Y178 HydrophobicContact CB-CE1 3.11Å; C176-Y178 HydrophobicContact CB-CE2 4.22Å; C176-Y178 HydrophobicContact CB-CG 4.41Å; C176-Y178 VanDerWaalsContact CB-CZ 3.42Å; C176-Y178 WeakPolarHBondContact O-CD1 3.42Å; C176-Y178 WeakPolarHBondContact O-CE1 3.36Å; C176-Y178 PolarHBondContact O-N 3.36Å; Y178-V180 HydrophobicContact CD2-CG1 3.82Å; Y178-V180 HydrophobicContact CE2-CG1 3.44Å; Y178-V180 VanDerWaalsContact CE2-CG1 3.44Å |
| 179 | H | 89.3 | Confident | 87 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 38% | 0.375 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 139.2 | 173.7 | -70.4 | -81.4 | 0 | 0 | 0 | 112.3 | W97 L170 H171 Y172 | W97-H179 PolarHBondContact N-O 3.42Å; L170-H179 HydrophobicContact CD1-CB 3.77Å; L170-H179 HydrophobicContact CG-CB 4.24Å; H171-H179 WeakPolarHBondContact O-CA 3.25Å; Y172-H179 AromaticContact CD2-CE1 3.81Å; Y172-H179 AromaticContact CD2-NE2 3.8Å |
| 180 | V | 89.2 | Confident | 86.9 | Confident | 26 Ų | 26 | 80 Ų | 80 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.4 | 168.8 | -66.5 | 0 | 0 | 0 | 0 | 109.4 | H171 Y178 | H171-V180 HydrophobicContact CB-CG2 4.15Å; H171-V180 PolarHBondContact N-O 2.55Å; H171-V180 PolarHBondContact O-N 2.94Å; Y178-V180 HydrophobicContact CD2-CG1 3.82Å; Y178-V180 HydrophobicContact CE2-CG1 3.44Å; Y178-V180 VanDerWaalsContact CE2-CG1 3.44Å |
| 181 | C | 91.2 | Very high | 86.6 | Confident | 10 Ų | 10 | 79.6 Ų | 79.6 | 7% | 0.068 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 110 | 171.1 | -178 | 0 | 0 | 0 | 0 | 107.3 | W97 C104 M168 | W97-C181 HydrophobicContact CB-CB 4.15Å; W97-C181 HydrophobicContact CD2-CB 3.51Å; W97-C181 HydrophobicContact CE3-CB 3.57Å; W97-C181 HydrophobicContact CG-CB 3.78Å; W97-C181 HydrophobicContact CZ3-CB 4.23Å; C104-C181 WeakPolarHBondContact CA-SG 3.26Å; C104-C181 HydrophobicContact CB-CB 3.87Å; C104-C181 WeakPolarHBondContact CB-SG 3.48Å; C104-C181 PolarHBondContact O-SG 3.44Å; C104-C181 VanDerWaalsContact SG-CA 3.52Å; C104-C181 WeakPolarHBondContact SG-CB 3.47Å; C104-C181 CovalentContact SG-SG 2.03Å; C104-C181 PolarHBondContact SG-SG 3.18Å; M168-C181 VanDerWaalsContact CE-SG 3.53Å |
| 182 | R | 88 | Confident | 86.5 | Confident | 140 Ų | 140 | 76.4 Ų | 76.4 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.2 | -175.3 | 67.5 | 177.2 | -66.4 | 177 | 1.7 | 111.2 | E169 H171 | E169-R182 PolarHBondContact N-O 3.18Å; E169-R182 PolarHBondContact O-N 2.94Å; H171-R182 HydrophobicContact CB-CG 4.26Å |
| 183 | E | 88.3 | Confident | 86.5 | Confident | 24 Ų | 24 | 74 Ų | 74 | 11% | 0.112 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127.9 | 173.2 | -167.8 | 174.2 | -168.8 | 0 | 0 | 109.3 | Y164 H167 M168 W185 Q191 R267 | Y164-E183 WeakPolarHBondContact CD2-OE1 3.42Å; Y164-E183 HydrophobicContact CE2-CG 4.4Å; Y164-E183 WeakPolarHBondContact CE2-OE1 3.34Å; H167-E183 CarbonylContact O-C 3.6Å; H167-E183 WeakPolarHBondContact O-CA 3.49Å; M168-E183 HydrophobicContact SD-CB 3.74Å; M168-E183 HydrophobicContact SD-CG 4.34Å; E183-W185 VanDerWaalsContact CD-NE1 3.28Å; E183-W185 VanDerWaalsContact CG-CD1 3.49Å; E183-W185 PolarHBondContact OE1-NE1 2.89Å; E183-Q191 PolarHBondContact OE2-NE2 3.33Å; E183-R267 IonicContact OE2-NH2 2.87Å; E183-R267 PolarHBondContact OE2-NH2 3.14Å |
| 184 | L | 87.7 | Confident | 86.8 | Confident | 88 Ų | 88 | 75.2 Ų | 75.2 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | trans | -127.8 | 102.8 | 179.5 | -170.5 | 73 | 0 | 0 | 0 | 109.6 | H167 E169 | H167-L184 PolarHBondContact ND1-O 3.37Å; H167-L184 PolarHBondContact O-N 3.07Å; E169-L184 VanDerWaalsContact OE2-CD2 3.23Å; E169-L184 WeakPolarHBondContact OE2-CD2 3.5Å | ||
| 185 | W | 88 | Confident | 87 | Confident | 34 Ų | 34 | 68 Ų | 68 | 13% | 0.129 | 35% | 0.346 | C | S | . | . | trans | -102.8 | 136.8 | 169 | -64.9 | 83.4 | 0 | 0 | 0 | 109.4 | P163 H167 E183 F187 L190 Q191 Y194 | P163-W185 HydrophobicContact CB-CH2 4.23Å; H167-W185 HydrophobicContact CB-CD2 4.28Å; H167-W185 HydrophobicContact CB-CZ2 4.28Å; H167-W185 AromaticContact CD2-CD2 3.94Å; H167-W185 AromaticContact CD2-CE3 3.67Å; H167-W185 AromaticContact CD2-CH2 3.64Å; H167-W185 AromaticContact CD2-CZ2 3.89Å; H167-W185 AromaticContact CD2-CZ3 3.52Å; H167-W185 AromaticContact CE1-CE3 3.96Å; H167-W185 AromaticContact CG-CD2 3.86Å; H167-W185 AromaticContact CG-CE2 3.95Å; H167-W185 AromaticContact NE2-CE3 3.66Å; H167-W185 AromaticContact NE2-CZ3 3.62Å; E183-W185 VanDerWaalsContact CD-NE1 3.28Å; E183-W185 VanDerWaalsContact CG-CD1 3.49Å; E183-W185 PolarHBondContact OE1-NE1 2.89Å; W185-F187 PolarHBondContact O-N 2.86Å; W185-L190 HydrophobicContact CE3-CB 3.94Å; W185-L190 HydrophobicContact CZ3-CB 4.29Å; W185-Q191 HydrophobicContact CB-CB 4.01Å; W185-Q191 VanDerWaalsContact CD1-CD 3.48Å; W185-Q191 VanDerWaalsContact CD1-CG 3.46Å; W185-Q191 HydrophobicContact CD2-CB 3.91Å; W185-Q191 HydrophobicContact CD2-CG 4.44Å; W185-Q191 HydrophobicContact CG-CB 3.56Å; W185-Q191 HydrophobicContact CG-CG 4.05Å; W185-Y194 AromaticContact CH2-CD1 3.94Å; W185-Y194 HydrophobicContact CH2-CD1 3.94Å; W185-Y194 HydrophobicContact CH2-CD2 4.04Å; W185-Y194 AromaticContact CH2-CG 3.59Å; W185-Y194 HydrophobicContact CH2-CG 3.59Å; W185-Y194 AromaticContact CZ2-CD1 3.75Å; W185-Y194 HydrophobicContact CZ2-CD1 3.75Å; W185-Y194 HydrophobicContact CZ2-CE1 4.41Å; W185-Y194 AromaticContact CZ2-CG 3.9Å; W185-Y194 HydrophobicContact CZ2-CG 3.9Å | ||
| 186 | E | 84.4 | Confident | 87.6 | Confident | 170 Ų | 170 | 67.2 Ų | 67.2 | 79% | 0.794 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -61 | -33.9 | 174.6 | -65 | -176 | 168.3 | 0 | 0 | 111.6 | ||
| 187 | F | 85 | Confident | 88.1 | Confident | 123 Ų | 123 | 69.5 Ų | 69.5 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | trans | -129.6 | 121.5 | -178.9 | -55 | -78.8 | 0 | 0 | 0 | 109.9 | W185 E189 L190 Q191 | W185-F187 PolarHBondContact O-N 2.86Å; F187-E189 PolarHBondContact O-N 3.25Å; F187-L190 HydrophobicContact CB-CB 4.42Å; F187-L190 HydrophobicContact CB-CD1 4.12Å; F187-L190 HydrophobicContact CB-CG 4.05Å; F187-L190 HydrophobicContact CD2-CD1 3.76Å; F187-L190 HydrophobicContact CG-CD1 4.38Å; F187-L190 WeakPolarHBondContact O-CB 3.43Å; F187-L190 PolarHBondContact O-N 3.3Å; F187-Q191 PolarHBondContact O-N 2.85Å | ||
| 188 | G | 82.1 | Confident | 88.3 | Confident | 45 Ų | 45 | 65 Ų | 65 | 46% | 0.464 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -27.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L190 Q191 A192 | G188-L190 VanDerWaalsContact C-N 3.33Å; G188-L190 PolarHBondContact O-N 2.76Å; G188-Q191 WeakPolarHBondContact O-CB 3.26Å; G188-Q191 PolarHBondContact O-N 2.87Å; G188-A192 PolarHBondContact O-N 2.93Å |
| 189 | E | 85.6 | Confident | 88.5 | Confident | 166 Ų | 166 | 65.6 Ų | 65.6 | 78% | 0.776 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 173.7 | -65 | -178.4 | -176.1 | 0 | 0 | 112.3 | F187 A193 | F187-E189 PolarHBondContact O-N 3.25Å; E189-A193 WeakPolarHBondContact O-CB 3.25Å; E189-A193 PolarHBondContact O-N 2.79Å |
| 190 | L | 88.7 | Confident | 88.6 | Confident | 94 Ų | 94 | 64.1 Ų | 64.1 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.4 | -39.5 | 176.4 | -68.1 | 178.4 | 0 | 0 | 0 | 111.3 | W185 F187 G188 A193 Y194 | W185-L190 HydrophobicContact CE3-CB 3.94Å; W185-L190 HydrophobicContact CZ3-CB 4.29Å; F187-L190 HydrophobicContact CB-CB 4.42Å; F187-L190 HydrophobicContact CB-CD1 4.12Å; F187-L190 HydrophobicContact CB-CG 4.05Å; F187-L190 HydrophobicContact CD2-CD1 3.76Å; F187-L190 HydrophobicContact CG-CD1 4.38Å; F187-L190 WeakPolarHBondContact O-CB 3.43Å; F187-L190 PolarHBondContact O-N 3.3Å; G188-L190 VanDerWaalsContact C-N 3.33Å; G188-L190 PolarHBondContact O-N 2.76Å; L190-A193 PolarHBondContact O-N 3.31Å; L190-Y194 VanDerWaalsContact O-CB 3.24Å; L190-Y194 WeakPolarHBondContact O-CB 3.17Å; L190-Y194 PolarHBondContact O-N 2.79Å |
| 191 | Q | 88 | Confident | 88.7 | Confident | 27 Ų | 27 | 65.4 Ų | 65.4 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.6 | -51.2 | 173.7 | -176.1 | 173.3 | -5.5 | 0 | 0 | 111 | E183 W185 F187 G188 Y194 G195 D268 | E183-Q191 PolarHBondContact OE2-NE2 3.33Å; W185-Q191 HydrophobicContact CB-CB 4.01Å; W185-Q191 VanDerWaalsContact CD1-CD 3.48Å; W185-Q191 VanDerWaalsContact CD1-CG 3.46Å; W185-Q191 HydrophobicContact CD2-CB 3.91Å; W185-Q191 HydrophobicContact CD2-CG 4.44Å; W185-Q191 HydrophobicContact CG-CB 3.56Å; W185-Q191 HydrophobicContact CG-CG 4.05Å; F187-Q191 PolarHBondContact O-N 2.85Å; G188-Q191 WeakPolarHBondContact O-CB 3.26Å; G188-Q191 PolarHBondContact O-N 2.87Å; Q191-Y194 PolarHBondContact O-N 3.47Å; Q191-G195 PolarHBondContact O-N 3.36Å; Q191-D268 HydrophobicContact CG-CB 4.28Å; Q191-D268 PolarHBondContact NE2-OD1 3.28Å |
| 192 | A | 87.7 | Confident | 88.7 | Confident | 17 Ų | 17 | 65 Ų | 65 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G188 Y194 G195 F196 | G188-A192 PolarHBondContact O-N 2.93Å; A192-Y194 VanDerWaalsContact C-N 3.32Å; A192-Y194 PolarHBondContact O-N 3.27Å; A192-G195 PolarHBondContact O-N 3.46Å; A192-F196 WeakPolarHBondContact O-CD2 3.43Å; A192-F196 PolarHBondContact O-N 3.03Å |
| 193 | A | 91 | Very high | 88.7 | Confident | 50 Ų | 50 | 59.5 Ų | 59.5 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E189 L190 T197 | E189-A193 WeakPolarHBondContact O-CB 3.25Å; E189-A193 PolarHBondContact O-N 2.79Å; L190-A193 PolarHBondContact O-N 3.31Å; A193-T197 WeakPolarHBondContact O-CB 3.23Å; A193-T197 PolarHBondContact O-N 3.34Å; A193-T197 PolarHBondContact O-OG1 2.63Å |
| 194 | Y | 91.6 | Very high | 88.8 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63 | -48.3 | 173.5 | 179.8 | -99.3 | 0 | 0 | 0 | 111 | L160 V161 P163 Y164 W185 L190 Q191 A192 F196 T197 V198 | L160-Y194 WeakPolarHBondContact O-CE2 3.32Å; L160-Y194 PolarHBondContact O-OH 3.46Å; V161-Y194 WeakPolarHBondContact CA-OH 3.25Å; P163-Y194 HydrophobicContact CB-CD2 4.28Å; P163-Y194 HydrophobicContact CB-CE2 3.87Å; P163-Y194 HydrophobicContact CG-CE2 4.05Å; Y164-Y194 WeakPolarHBondContact CB-OH 3.37Å; Y164-Y194 HydrophobicContact CG-CE1 4.39Å; W185-Y194 AromaticContact CH2-CD1 3.94Å; W185-Y194 HydrophobicContact CH2-CD1 3.94Å; W185-Y194 HydrophobicContact CH2-CD2 4.04Å; W185-Y194 AromaticContact CH2-CG 3.59Å; W185-Y194 HydrophobicContact CH2-CG 3.59Å; W185-Y194 AromaticContact CZ2-CD1 3.75Å; W185-Y194 HydrophobicContact CZ2-CD1 3.75Å; W185-Y194 HydrophobicContact CZ2-CE1 4.41Å; W185-Y194 AromaticContact CZ2-CG 3.9Å; W185-Y194 HydrophobicContact CZ2-CG 3.9Å; L190-Y194 VanDerWaalsContact O-CB 3.24Å; L190-Y194 WeakPolarHBondContact O-CB 3.17Å; L190-Y194 PolarHBondContact O-N 2.79Å; Q191-Y194 PolarHBondContact O-N 3.47Å; A192-Y194 VanDerWaalsContact C-N 3.32Å; A192-Y194 PolarHBondContact O-N 3.27Å; Y194-F196 PolarHBondContact O-N 3.33Å; Y194-T197 WeakPolarHBondContact O-CB 3.35Å; Y194-T197 PolarHBondContact O-N 2.98Å; Y194-T197 VanDerWaalsContact O-N 3.1Å; Y194-V198 HydrophobicContact CD1-CG2 4.02Å; Y194-V198 HydrophobicContact CD2-CG2 4.35Å; Y194-V198 HydrophobicContact CE1-CG2 3.51Å; Y194-V198 HydrophobicContact CE2-CG2 3.89Å; Y194-V198 HydrophobicContact CG-CG2 4.4Å; Y194-V198 VanDerWaalsContact CZ-CG2 3.44Å; Y194-V198 WeakPolarHBondContact O-CG2 3.22Å; Y194-V198 PolarHBondContact O-N 2.94Å |
| 195 | G | 89.9 | Confident | 89.1 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 9% | 0.093 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.8 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q191 A192 V198 M199 | Q191-G195 PolarHBondContact O-N 3.36Å; A192-G195 PolarHBondContact O-N 3.46Å; G195-V198 PolarHBondContact O-N 3.26Å; G195-M199 WeakPolarHBondContact O-CB 3.25Å; G195-M199 PolarHBondContact O-N 2.92Å |
| 196 | F | 89.8 | Confident | 89.4 | Confident | 105 Ų | 105 | 59.3 Ų | 59.3 | 46% | 0.461 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 173.8 | -82.5 | -65.1 | 0 | 0 | 0 | 112.9 | A192 Y194 M199 A200 L265 L269 | A192-F196 WeakPolarHBondContact O-CD2 3.43Å; A192-F196 PolarHBondContact O-N 3.03Å; Y194-F196 PolarHBondContact O-N 3.33Å; F196-M199 WeakPolarHBondContact O-CB 3.49Å; F196-M199 PolarHBondContact O-N 2.84Å; F196-A200 WeakPolarHBondContact O-CB 3.4Å; F196-A200 PolarHBondContact O-N 3.35Å; F196-L265 HydrophobicContact CD1-CD1 4.21Å; F196-L265 HydrophobicContact CE1-CD1 4.17Å; F196-L265 HydrophobicContact CE1-CD2 4.23Å; F196-L265 HydrophobicContact CG-CD1 4.39Å; F196-L265 HydrophobicContact CZ-CD1 4.33Å; F196-L269 HydrophobicContact CE2-CD2 3.64Å; F196-L269 HydrophobicContact CZ-CD1 4.22Å; F196-L269 HydrophobicContact CZ-CD2 3.87Å |
| 197 | T | 91.6 | Very high | 89.9 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 178.8 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | A193 Y194 M199 A200 L201 | A193-T197 WeakPolarHBondContact O-CB 3.23Å; A193-T197 PolarHBondContact O-N 3.34Å; A193-T197 PolarHBondContact O-OG1 2.63Å; Y194-T197 WeakPolarHBondContact O-CB 3.35Å; Y194-T197 PolarHBondContact O-N 2.98Å; Y194-T197 VanDerWaalsContact O-N 3.1Å; T197-M199 PolarHBondContact O-N 2.89Å; T197-A200 PolarHBondContact O-N 3.23Å; T197-L201 HydrophobicContact CG2-CD1 3.83Å; T197-L201 HydrophobicContact CG2-CG 4.28Å; T197-L201 WeakPolarHBondContact O-CB 3Å; T197-L201 VanDerWaalsContact O-CG 3.31Å; T197-L201 WeakPolarHBondContact O-CG 3.25Å; T197-L201 PolarHBondContact O-N 3.21Å |
| 198 | V | 91.1 | Very high | 90.5 | Very high | 23 Ų | 23 | 54.4 Ų | 54.4 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 174.1 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | F116 Y194 G195 A200 L201 Q202 | F116-V198 HydrophobicContact CE2-CG1 4.07Å; F116-V198 HydrophobicContact CZ-CB 4.43Å; F116-V198 HydrophobicContact CZ-CG1 3.97Å; F116-V198 HydrophobicContact CZ-CG2 4.38Å; Y194-V198 HydrophobicContact CD1-CG2 4.02Å; Y194-V198 HydrophobicContact CD2-CG2 4.35Å; Y194-V198 HydrophobicContact CE1-CG2 3.51Å; Y194-V198 HydrophobicContact CE2-CG2 3.89Å; Y194-V198 HydrophobicContact CG-CG2 4.4Å; Y194-V198 VanDerWaalsContact CZ-CG2 3.44Å; Y194-V198 WeakPolarHBondContact O-CG2 3.22Å; Y194-V198 PolarHBondContact O-N 2.94Å; G195-V198 PolarHBondContact O-N 3.26Å; V198-A200 VanDerWaalsContact C-N 3.34Å; V198-A200 PolarHBondContact O-N 2.91Å; V198-L201 PolarHBondContact O-N 3.45Å; V198-Q202 WeakPolarHBondContact O-CB 3.46Å; V198-Q202 PolarHBondContact O-N 3.35Å |
| 199 | M | 89.8 | Confident | 91.2 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 15% | 0.153 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.5 | -44.7 | 177.5 | -170.1 | 67.1 | 59.5 | 0 | 0 | 112.6 | G195 F196 T197 F203 G204 N261 M262 L265 | G195-M199 WeakPolarHBondContact O-CB 3.25Å; G195-M199 PolarHBondContact O-N 2.92Å; F196-M199 WeakPolarHBondContact O-CB 3.49Å; F196-M199 PolarHBondContact O-N 2.84Å; T197-M199 PolarHBondContact O-N 2.89Å; M199-F203 WeakPolarHBondContact O-CB 3.09Å; M199-F203 PolarHBondContact O-N 3.05Å; M199-F203 HydrophobicContact SD-CD2 3.47Å; M199-F203 WeakPolarHBondContact SD-CD2 3.24Å; M199-F203 HydrophobicContact SD-CE2 3.88Å; M199-F203 HydrophobicContact SD-CG 4.32Å; M199-G204 PolarHBondContact O-N 3.4Å; M199-N261 HydrophobicContact CE-CB 3.65Å; M199-N261 HydrophobicContact SD-CB 4.32Å; M199-M262 HydrophobicContact CE-CE 3.33Å; M199-M262 HydrophobicContact SD-CE 3.58Å; M199-M262 VanDerWaalsContact SD-CE 3.58Å; M199-L265 HydrophobicContact CE-CB 4.3Å; M199-L265 HydrophobicContact CE-CD2 4.26Å |
| 200 | A | 91.6 | Very high | 91.8 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 41% | 0.405 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -67.3 | -43.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F196 T197 V198 G204 I205 | F196-A200 WeakPolarHBondContact O-CB 3.4Å; F196-A200 PolarHBondContact O-N 3.35Å; T197-A200 PolarHBondContact O-N 3.23Å; V198-A200 VanDerWaalsContact C-N 3.34Å; V198-A200 PolarHBondContact O-N 2.91Å; A200-G204 WeakPolarHBondContact O-CA 3.33Å; A200-G204 PolarHBondContact O-N 3.45Å; A200-I205 PolarHBondContact O-N 2.9Å |
| 201 | L | 92.2 | Very high | 92.1 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -76 | -27.4 | -179.5 | -67.2 | -178.7 | 0 | 0 | 0 | 113.1 | F116 L160 T197 V198 I205 P206 | F116-L201 HydrophobicContact CE1-CB 3.99Å; F116-L201 HydrophobicContact CZ-CB 4.48Å; L160-L201 HydrophobicContact CD1-CD1 4.2Å; L160-L201 HydrophobicContact CD2-CD1 3.74Å; T197-L201 HydrophobicContact CG2-CD1 3.83Å; T197-L201 HydrophobicContact CG2-CG 4.28Å; T197-L201 WeakPolarHBondContact O-CB 3Å; T197-L201 VanDerWaalsContact O-CG 3.31Å; T197-L201 WeakPolarHBondContact O-CG 3.25Å; T197-L201 PolarHBondContact O-N 3.21Å; V198-L201 PolarHBondContact O-N 3.45Å; L201-I205 HydrophobicContact CD2-CD1 3.89Å; L201-P206 WeakPolarHBondContact O-CD 3.49Å; L201-P206 WeakPolarHBondContact O-CG 3.35Å |
| 202 | Q | 89.9 | Confident | 92.6 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -89.9 | -40.9 | -178.8 | -173.7 | -176.1 | -56.7 | 0 | 0 | 112.3 | I115 F116 T119 V198 N261 | I115-Q202 HydrophobicContact CG2-CG 3.73Å; F116-Q202 HydrophobicContact CE1-CB 4Å; F116-Q202 HydrophobicContact CZ-CB 4.2Å; T119-Q202 WeakPolarHBondContact CG2-O 3.4Å; V198-Q202 WeakPolarHBondContact O-CB 3.46Å; V198-Q202 PolarHBondContact O-N 3.35Å; Q202-N261 PolarHBondContact NE2-ND2 3.11Å; Q202-N261 PolarHBondContact NE2-OD1 3.17Å |
| 203 | F | 88.8 | Confident | 93 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 10% | 0.101 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -108 | -55.6 | -179.9 | -69.9 | -87.8 | 0 | 0 | 0 | 112 | M199 F207 W257 N261 | M199-F203 WeakPolarHBondContact O-CB 3.09Å; M199-F203 PolarHBondContact O-N 3.05Å; M199-F203 HydrophobicContact SD-CD2 3.47Å; M199-F203 WeakPolarHBondContact SD-CD2 3.24Å; M199-F203 HydrophobicContact SD-CE2 3.88Å; M199-F203 HydrophobicContact SD-CG 4.32Å; F203-F207 HydrophobicContact CB-CD2 4.4Å; F203-F207 HydrophobicContact CD1-CD2 4.21Å; F203-F207 HydrophobicContact CD1-CE1 4.46Å; F203-F207 AromaticContact CD1-CE2 3.63Å; F203-F207 HydrophobicContact CD1-CE2 3.63Å; F203-F207 AromaticContact CD1-CZ 3.78Å; F203-F207 HydrophobicContact CD1-CZ 3.78Å; F203-F207 HydrophobicContact CE1-CE2 4.28Å; F203-F207 HydrophobicContact CE1-CZ 4.12Å; F203-F207 HydrophobicContact CG-CE2 4.37Å; F203-F207 WeakPolarHBondContact O-CB 3.45Å; F203-F207 WeakPolarHBondContact O-CD2 3.34Å; F203-F207 WeakPolarHBondContact O-CG 3.31Å; F203-F207 PolarHBondContact O-N 3.42Å; F203-W257 HydrophobicContact CE1-CB 4.3Å; F203-W257 HydrophobicContact CZ-CB 3.76Å; F203-N261 HydrophobicContact CE2-CB 3.89Å; F203-N261 HydrophobicContact CZ-CB 4.36Å |
| 204 | G | 90.4 | Very high | 93.3 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 44% | 0.443 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -55.1 | -65.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | M199 A200 F208 | M199-G204 PolarHBondContact O-N 3.4Å; A200-G204 WeakPolarHBondContact O-CA 3.33Å; A200-G204 PolarHBondContact O-N 3.45Å; G204-F208 VanDerWaalsContact O-CB 3.24Å; G204-F208 WeakPolarHBondContact O-CB 3.39Å; G204-F208 PolarHBondContact O-N 2.88Å |
| 205 | I | 93.4 | Very high | 93.5 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 48% | 0.482 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66 | -50.1 | -175.9 | -58 | 178.7 | 0 | 0 | 0 | 111.8 | A200 L201 F208 I209 | A200-I205 PolarHBondContact O-N 2.9Å; L201-I205 HydrophobicContact CD2-CD1 3.89Å; I205-F208 PolarHBondContact O-N 2.96Å; I205-I209 HydrophobicContact CG2-CD1 3.82Å; I205-I209 WeakPolarHBondContact O-CG1 3.01Å; I205-I209 PolarHBondContact O-N 3.5Å; I205-I209 VanDerWaalsContact O-N 3.07Å |
| 206 | P | 95.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | -176.6 | -27.3 | 40.3 | 0 | 0 | 0 | 113.2 | T119 T123 L201 F208 I209 I210 | T119-P206 HydrophobicContact CG2-CB 3.34Å; T119-P206 HydrophobicContact CG2-CG 3.72Å; T123-P206 WeakPolarHBondContact OG1-CB 3.36Å; L201-P206 WeakPolarHBondContact O-CD 3.49Å; L201-P206 WeakPolarHBondContact O-CG 3.35Å; P206-F208 VanDerWaalsContact C-N 3.3Å; P206-F208 PolarHBondContact O-N 3.26Å; P206-I209 PolarHBondContact O-N 3.26Å; P206-I210 WeakPolarHBondContact O-CB 3.47Å; P206-I210 WeakPolarHBondContact O-CG1 3.44Å; P206-I210 PolarHBondContact O-N 2.92Å |
| 207 | F | 95.2 | Very high | 94.1 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.8 | -33.9 | -179.3 | -76.5 | -119.8 | 0 | 0 | 0 | 111.4 | T119 F203 I210 A211 V250 F253 | T119-F207 HydrophobicContact CG2-CD2 4.49Å; T119-F207 HydrophobicContact CG2-CE2 4.19Å; F203-F207 HydrophobicContact CB-CD2 4.4Å; F203-F207 HydrophobicContact CD1-CD2 4.21Å; F203-F207 HydrophobicContact CD1-CE1 4.46Å; F203-F207 AromaticContact CD1-CE2 3.63Å; F203-F207 HydrophobicContact CD1-CE2 3.63Å; F203-F207 AromaticContact CD1-CZ 3.78Å; F203-F207 HydrophobicContact CD1-CZ 3.78Å; F203-F207 HydrophobicContact CE1-CE2 4.28Å; F203-F207 HydrophobicContact CE1-CZ 4.12Å; F203-F207 HydrophobicContact CG-CE2 4.37Å; F203-F207 WeakPolarHBondContact O-CB 3.45Å; F203-F207 WeakPolarHBondContact O-CD2 3.34Å; F203-F207 WeakPolarHBondContact O-CG 3.31Å; F203-F207 PolarHBondContact O-N 3.42Å; F207-I210 PolarHBondContact O-N 3.48Å; F207-A211 WeakPolarHBondContact O-CB 3.25Å; F207-A211 PolarHBondContact O-N 3.3Å; F207-V250 HydrophobicContact CD1-CG1 4.15Å; F207-V250 HydrophobicContact CE1-CG1 3.92Å; F207-V250 HydrophobicContact CZ-CG1 4.41Å; F207-F253 HydrophobicContact CE2-CD1 4.41Å; F207-F253 HydrophobicContact CE2-CE1 4.48Å; F207-F253 HydrophobicContact CZ-CD1 4Å; F207-F253 HydrophobicContact CZ-CE1 4.47Å |
| 208 | F | 96 | Very high | 94.2 | Very high | 138 Ų | 138 | 51.2 Ų | 51.2 | 61% | 0.605 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.7 | -47 | 173.6 | -176.1 | -104.7 | 0 | 0 | 0 | 111.9 | G204 I205 P206 I210 A211 I212 | G204-F208 VanDerWaalsContact O-CB 3.24Å; G204-F208 WeakPolarHBondContact O-CB 3.39Å; G204-F208 PolarHBondContact O-N 2.88Å; I205-F208 PolarHBondContact O-N 2.96Å; P206-F208 VanDerWaalsContact C-N 3.3Å; P206-F208 PolarHBondContact O-N 3.26Å; F208-I210 PolarHBondContact O-N 3.47Å; F208-A211 PolarHBondContact O-N 3.39Å; F208-I212 HydrophobicContact CD1-CD1 3.81Å; F208-I212 HydrophobicContact CE1-CD1 3.33Å; F208-I212 HydrophobicContact CE1-CG1 4.49Å; F208-I212 HydrophobicContact CE2-CD1 4.19Å; F208-I212 HydrophobicContact CG-CD1 4.43Å; F208-I212 HydrophobicContact CZ-CD1 3.56Å; F208-I212 HydrophobicContact CZ-CG1 4.47Å; F208-I212 WeakPolarHBondContact O-CG1 3.37Å; F208-I212 PolarHBondContact O-N 2.7Å |
| 209 | I | 97.4 | Very high | 94.3 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 32% | 0.323 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 175.8 | -66.1 | 167.9 | 0 | 0 | 0 | 110.6 | T123 V127 I205 P206 A211 I212 C213 | T123-I209 HydrophobicContact CG2-CB 4.14Å; T123-I209 HydrophobicContact CG2-CD1 4.4Å; T123-I209 HydrophobicContact CG2-CG2 3.75Å; V127-I209 HydrophobicContact CG2-CG2 4.12Å; I205-I209 HydrophobicContact CG2-CD1 3.82Å; I205-I209 WeakPolarHBondContact O-CG1 3.01Å; I205-I209 PolarHBondContact O-N 3.5Å; I205-I209 VanDerWaalsContact O-N 3.07Å; P206-I209 PolarHBondContact O-N 3.26Å; I209-A211 PolarHBondContact O-N 2.95Å; I209-I212 PolarHBondContact O-N 2.87Å; I209-C213 WeakPolarHBondContact O-CB 3.32Å; I209-C213 PolarHBondContact O-N 3.4Å; I209-C213 PolarHBondContact O-SG 3.44Å |
| 210 | I | 97.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 179.3 | -69 | 165.6 | 0 | 0 | 0 | 110.9 | L122 T123 A126 P206 F207 F208 I212 C213 Y214 V250 | L122-I210 HydrophobicContact CB-CD1 4.16Å; T123-I210 HydrophobicContact CG2-CG1 4.47Å; A126-I210 HydrophobicContact CB-CB 4.31Å; A126-I210 HydrophobicContact CB-CG1 3.94Å; A126-I210 HydrophobicContact CB-CG2 4.19Å; P206-I210 WeakPolarHBondContact O-CB 3.47Å; P206-I210 WeakPolarHBondContact O-CG1 3.44Å; P206-I210 PolarHBondContact O-N 2.92Å; F207-I210 PolarHBondContact O-N 3.48Å; F208-I210 PolarHBondContact O-N 3.47Å; I210-I212 PolarHBondContact O-N 3.24Å; I210-C213 WeakPolarHBondContact O-CB 3.41Å; I210-C213 PolarHBondContact O-N 3.4Å; I210-Y214 HydrophobicContact CG2-CD2 3.44Å; I210-Y214 VanDerWaalsContact CG2-CD2 3.44Å; I210-Y214 HydrophobicContact CG2-CE2 3.26Å; I210-Y214 HydrophobicContact CG2-CG 4.34Å; I210-Y214 PolarHBondContact O-N 3.38Å; I210-V250 HydrophobicContact CD1-CG1 4.13Å; I210-V250 HydrophobicContact CD1-CG2 4.23Å; I210-V250 HydrophobicContact CG2-CB 4.44Å; I210-V250 HydrophobicContact CG2-CG1 4.01Å; I210-V250 HydrophobicContact CG2-CG2 4.04Å |
| 211 | A | 96.8 | Very high | 94.3 | Very high | 45 Ų | 45 | 53.9 Ų | 53.9 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F207 F208 I209 C213 Y214 I215 | F207-A211 WeakPolarHBondContact O-CB 3.25Å; F207-A211 PolarHBondContact O-N 3.3Å; F208-A211 PolarHBondContact O-N 3.39Å; I209-A211 PolarHBondContact O-N 2.95Å; A211-C213 VanDerWaalsContact C-N 3.33Å; A211-C213 PolarHBondContact O-N 2.87Å; A211-Y214 PolarHBondContact O-N 2.85Å; A211-I215 WeakPolarHBondContact O-CB 3.49Å; A211-I215 WeakPolarHBondContact O-CD1 3.3Å; A211-I215 WeakPolarHBondContact O-CG1 3.2Å; A211-I215 PolarHBondContact O-N 3.4Å |
| 212 | I | 97.3 | Very high | 94.1 | Very high | 74 Ų | 74 | 54 Ų | 54 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.8 | -47.3 | 175.9 | -68.9 | 171 | 0 | 0 | 0 | 110.6 | F208 I209 I210 R216 | F208-I212 HydrophobicContact CD1-CD1 3.81Å; F208-I212 HydrophobicContact CE1-CD1 3.33Å; F208-I212 HydrophobicContact CE1-CG1 4.49Å; F208-I212 HydrophobicContact CE2-CD1 4.19Å; F208-I212 HydrophobicContact CG-CD1 4.43Å; F208-I212 HydrophobicContact CZ-CD1 3.56Å; F208-I212 HydrophobicContact CZ-CG1 4.47Å; F208-I212 WeakPolarHBondContact O-CG1 3.37Å; F208-I212 PolarHBondContact O-N 2.7Å; I209-I212 PolarHBondContact O-N 2.87Å; I210-I212 PolarHBondContact O-N 3.24Å; I212-R216 HydrophobicContact CG2-CG 4.29Å; I212-R216 WeakPolarHBondContact O-CB 3.45Å; I212-R216 WeakPolarHBondContact O-CG 3.17Å; I212-R216 PolarHBondContact O-N 2.84Å |
| 213 | C | 97.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.7 | -53.6 | 179.6 | -70.4 | 0 | 0 | 0 | 0 | 111.1 | A126 Y130 I209 I210 A211 R216 I217 | A126-C213 HydrophobicContact CB-CB 4.02Å; Y130-C213 HydrophobicContact CD2-CB 4.46Å; I209-C213 WeakPolarHBondContact O-CB 3.32Å; I209-C213 PolarHBondContact O-N 3.4Å; I209-C213 PolarHBondContact O-SG 3.44Å; I210-C213 WeakPolarHBondContact O-CB 3.41Å; I210-C213 PolarHBondContact O-N 3.4Å; A211-C213 VanDerWaalsContact C-N 3.33Å; A211-C213 PolarHBondContact O-N 2.87Å; C213-R216 PolarHBondContact O-N 2.67Å; C213-I217 WeakPolarHBondContact O-CD1 3.45Å; C213-I217 WeakPolarHBondContact O-CG1 3.37Å; C213-I217 PolarHBondContact O-N 2.83Å |
| 214 | Y | 96.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.4 | -35.6 | -176.4 | -67.9 | -25.8 | 0 | 0 | 0 | 113.6 | A126 I210 A211 I217 W218 L243 L246 I247 V250 | A126-Y214 HydrophobicContact CB-CD1 4.48Å; A126-Y214 HydrophobicContact CB-CE1 3.8Å; I210-Y214 HydrophobicContact CG2-CD2 3.44Å; I210-Y214 VanDerWaalsContact CG2-CD2 3.44Å; I210-Y214 HydrophobicContact CG2-CE2 3.26Å; I210-Y214 HydrophobicContact CG2-CG 4.34Å; I210-Y214 PolarHBondContact O-N 3.38Å; A211-Y214 PolarHBondContact O-N 2.85Å; Y214-I217 HydrophobicContact CD1-CD1 3.97Å; Y214-I217 PolarHBondContact O-N 2.8Å; Y214-W218 VanDerWaalsContact O-CB 3.26Å; Y214-W218 WeakPolarHBondContact O-CB 3.19Å; Y214-W218 PolarHBondContact O-N 3.48Å; Y214-L243 HydrophobicContact CD1-CD1 3.44Å; Y214-L243 VanDerWaalsContact CD1-CD1 3.44Å; Y214-L243 HydrophobicContact CE1-CD1 3.94Å; Y214-L243 HydrophobicContact CG-CD1 4.09Å; Y214-L246 HydrophobicContact CE1-CB 4.22Å; Y214-L246 HydrophobicContact CE2-CB 4.47Å; Y214-L246 WeakPolarHBondContact OH-CB 3.41Å; Y214-I247 HydrophobicContact CD2-CB 4.44Å; Y214-I247 HydrophobicContact CD2-CG1 3.53Å; Y214-I247 HydrophobicContact CE2-CG1 4.11Å; Y214-I247 HydrophobicContact CG-CG1 3.82Å; Y214-V250 HydrophobicContact CE2-CG2 4.03Å |
| 215 | I | 96.1 | Very high | 92.6 | Very high | 98 Ų | 98 | 71.1 Ų | 71.1 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 172.8 | -70.5 | 166.2 | 0 | 0 | 0 | 110 | A211 I217 W218 H219 | A211-I215 WeakPolarHBondContact O-CB 3.49Å; A211-I215 WeakPolarHBondContact O-CD1 3.3Å; A211-I215 WeakPolarHBondContact O-CG1 3.2Å; A211-I215 PolarHBondContact O-N 3.4Å; I215-I217 PolarHBondContact O-N 3.01Å; I215-W218 PolarHBondContact O-N 2.85Å; I215-H219 PolarHBondContact O-CD2 2.88Å; I215-H219 PolarHBondContact O-N 2.96Å |
| 216 | R | 96.3 | Very high | 91.8 | Very high | 156 Ų | 156 | 67.8 Ų | 67.8 | 59% | 0.589 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 179.6 | -67.8 | -78.5 | -173.3 | 175.2 | 1 | 112 | Y130 L134 I212 C213 S220 | Y130-R216 HydrophobicContact CD2-CB 4.1Å; Y130-R216 HydrophobicContact CE2-CB 3.68Å; Y130-R216 HydrophobicContact CE2-CG 4.1Å; L134-R216 HydrophobicContact CD2-CB 4.14Å; I212-R216 HydrophobicContact CG2-CG 4.29Å; I212-R216 WeakPolarHBondContact O-CB 3.45Å; I212-R216 WeakPolarHBondContact O-CG 3.17Å; I212-R216 PolarHBondContact O-N 2.84Å; C213-R216 PolarHBondContact O-N 2.67Å; R216-S220 WeakPolarHBondContact O-CB 3.39Å; R216-S220 PolarHBondContact O-N 3.17Å |
| 217 | I | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.2 | -64 | 159.7 | 0 | 0 | 0 | 110.2 | R129 Y130 I133 L134 C213 Y214 I215 H219 S220 L221 L243 | R129-I217 HydrophobicContact CB-CD1 4Å; Y130-I217 HydrophobicContact CD2-CG1 4.38Å; I133-I217 HydrophobicContact CB-CG2 4.31Å; I133-I217 HydrophobicContact CD1-CG2 3.53Å; I133-I217 HydrophobicContact CG2-CG2 3.99Å; L134-I217 HydrophobicContact CD1-CB 4.28Å; L134-I217 HydrophobicContact CD1-CG1 3.49Å; L134-I217 VanDerWaalsContact CD1-CG1 3.49Å; C213-I217 WeakPolarHBondContact O-CD1 3.45Å; C213-I217 WeakPolarHBondContact O-CG1 3.37Å; C213-I217 PolarHBondContact O-N 2.83Å; Y214-I217 HydrophobicContact CD1-CD1 3.97Å; Y214-I217 PolarHBondContact O-N 2.8Å; I215-I217 PolarHBondContact O-N 3.01Å; I217-H219 PolarHBondContact O-N 3.35Å; I217-S220 PolarHBondContact O-N 2.99Å; I217-L221 HydrophobicContact CG2-CD1 3.98Å; I217-L221 HydrophobicContact CG2-CG 4.2Å; I217-L221 WeakPolarHBondContact O-CG 3.38Å; I217-L221 PolarHBondContact O-N 3.46Å; I217-L243 HydrophobicContact CB-CD1 4.35Å; I217-L243 HydrophobicContact CB-CD2 4.18Å; I217-L243 HydrophobicContact CD1-CD1 4.36Å; I217-L243 HydrophobicContact CG2-CD1 4Å; I217-L243 HydrophobicContact CG2-CD2 3.61Å; I217-L243 HydrophobicContact CG2-CG 4.39Å |
| 218 | W | 94.4 | Very high | 89.4 | Confident | 97 Ų | 97 | 75 Ų | 75 | 37% | 0.367 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | -179.9 | -176.7 | -95.1 | 0 | 0 | 0 | 112.3 | Y214 I215 L221 S222 L243 K244 | Y214-W218 VanDerWaalsContact O-CB 3.26Å; Y214-W218 WeakPolarHBondContact O-CB 3.19Å; Y214-W218 PolarHBondContact O-N 3.48Å; I215-W218 PolarHBondContact O-N 2.85Å; W218-L221 PolarHBondContact O-N 3.16Å; W218-S222 WeakPolarHBondContact O-CB 3.35Å; W218-S222 PolarHBondContact O-N 3.09Å; W218-S222 PolarHBondContact O-OG 3.27Å; W218-L243 HydrophobicContact CB-CD2 4.37Å; W218-L243 HydrophobicContact CE3-CD2 3.98Å; W218-K244 HydrophobicContact CZ3-CG 4.18Å |
| 219 | H | 93.4 | Very high | 88.5 | Confident | 129 Ų | 129 | 74.4 Ų | 74.4 | 60% | 0.597 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 174.8 | -78.8 | -71.6 | 0 | 0 | 0 | 112.2 | I215 I217 L221 S222 S223 | I215-H219 PolarHBondContact O-CD2 2.88Å; I215-H219 PolarHBondContact O-N 2.96Å; I217-H219 PolarHBondContact O-N 3.35Å; H219-L221 PolarHBondContact O-N 3.27Å; H219-S222 CarbonylContact O-C 3.57Å; H219-S222 PolarHBondContact O-N 3.45Å; H219-S222 VanDerWaalsContact O-N 3.13Å; H219-S223 PolarHBondContact O-N 2.94Å |
| 220 | S | 90.9 | Very high | 87.4 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 21% | 0.21 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | R216 I217 S222 S223 T226 | R216-S220 WeakPolarHBondContact O-CB 3.39Å; R216-S220 PolarHBondContact O-N 3.17Å; I217-S220 PolarHBondContact O-N 2.99Å; S220-S222 PolarHBondContact O-N 3.46Å; S220-S223 WeakPolarHBondContact O-CB 3.13Å; S220-S223 PolarHBondContact O-N 2.88Å; S220-T226 WeakPolarHBondContact O-CB 3.46Å; S220-T226 PolarHBondContact O-OG1 2.88Å |
| 221 | L | 89.7 | Confident | 86.1 | Confident | 1 Ų | 1 | 82.2 Ų | 82.2 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.5 | -19.2 | 176.3 | -68 | -179 | 0 | 0 | 0 | 113.2 | I133 I217 W218 H219 T226 L236 K239 K240 L243 | I133-L221 HydrophobicContact CG2-CD2 3.98Å; I133-L221 HydrophobicContact CG2-CG 4.35Å; I217-L221 HydrophobicContact CG2-CD1 3.98Å; I217-L221 HydrophobicContact CG2-CG 4.2Å; I217-L221 WeakPolarHBondContact O-CG 3.38Å; I217-L221 PolarHBondContact O-N 3.46Å; W218-L221 PolarHBondContact O-N 3.16Å; H219-L221 PolarHBondContact O-N 3.27Å; L221-T226 HydrophobicContact CD2-CG2 4.18Å; L221-L236 HydrophobicContact CB-CD1 4.18Å; L221-L236 HydrophobicContact CD2-CD1 4.13Å; L221-L236 WeakPolarHBondContact O-CD1 3.37Å; L221-K239 HydrophobicContact CD1-CB 4.38Å; L221-K239 HydrophobicContact CD2-CB 4.26Å; L221-K239 HydrophobicContact CD2-CD 4.23Å; L221-K240 HydrophobicContact CB-CG 4.33Å; L221-K240 HydrophobicContact CD1-CG 4.13Å; L221-K240 WeakPolarHBondContact O-CE 3.43Å; L221-L243 HydrophobicContact CD1-CD2 3.85Å |
| 222 | S | 87.6 | Confident | 85.3 | Confident | 54 Ų | 54 | 82.7 Ų | 82.7 | 38% | 0.378 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -93.9 | -6.5 | 176.4 | -55.1 | 0 | 0 | 0 | 0 | 113 | W218 H219 S220 | W218-S222 WeakPolarHBondContact O-CB 3.35Å; W218-S222 PolarHBondContact O-N 3.09Å; W218-S222 PolarHBondContact O-OG 3.27Å; H219-S222 CarbonylContact O-C 3.57Å; H219-S222 PolarHBondContact O-N 3.45Å; H219-S222 VanDerWaalsContact O-N 3.13Å; S220-S222 PolarHBondContact O-N 3.46Å |
| 223 | S | 85.8 | Confident | 84.7 | Confident | 47 Ų | 47 | 84.7 Ų | 84.7 | 33% | 0.329 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -74.1 | 141.5 | 179 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | H219 S220 K225 T226 M227 | H219-S223 PolarHBondContact O-N 2.94Å; S220-S223 WeakPolarHBondContact O-CB 3.13Å; S220-S223 PolarHBondContact O-N 2.88Å; S223-K225 PolarHBondContact O-N 3.34Å; S223-K225 PolarHBondContact OG-N 3.47Å; S223-T226 WeakPolarHBondContact O-CB 3.25Å; S223-T226 PolarHBondContact O-N 3.32Å; S223-M227 PolarHBondContact O-N 3.26Å |
| 224 | R | 73.6 | Confident | 84.1 | Confident | 207 Ų | 207 | 86.5 Ų | 86.5 | 78% | 0.781 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -54.5 | -34.1 | 174.3 | -63.8 | -173.8 | -173.9 | -149.6 | 2.5 | 112.5 | T226 M227 V228 | R224-T226 VanDerWaalsContact C-N 3.27Å; R224-T226 PolarHBondContact O-N 3.47Å; R224-M227 HydrophobicContact CB-CE 4.19Å; R224-M227 HydrophobicContact CG-CE 3.79Å; R224-M227 PolarHBondContact O-N 2.89Å; R224-M227 VanDerWaalsContact O-N 3.14Å; R224-V228 WeakPolarHBondContact O-CG2 3.49Å; R224-V228 PolarHBondContact O-N 3.45Å |
| 225 | K | 78.1 | Confident | 83.6 | Confident | 176 Ų | 176 | 87.1 Ų | 87.1 | 77% | 0.765 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.8 | -41.2 | 176.7 | -66.6 | -174.8 | 179.1 | -177.8 | 0 | 112 | S223 V228 H229 | S223-K225 PolarHBondContact O-N 3.34Å; S223-K225 PolarHBondContact OG-N 3.47Å; K225-V228 PolarHBondContact O-N 2.83Å; K225-H229 WeakPolarHBondContact O-CB 3.3Å; K225-H229 PolarHBondContact O-N 3.4Å |
| 226 | T | 77.1 | Confident | 83.3 | Confident | 23 Ų | 23 | 82.8 Ų | 82.8 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -72.4 | -36 | 178.5 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | S220 L221 S223 R224 H229 L230 L236 | S220-T226 WeakPolarHBondContact O-CB 3.46Å; S220-T226 PolarHBondContact O-OG1 2.88Å; L221-T226 HydrophobicContact CD2-CG2 4.18Å; S223-T226 WeakPolarHBondContact O-CB 3.25Å; S223-T226 PolarHBondContact O-N 3.32Å; R224-T226 VanDerWaalsContact C-N 3.27Å; R224-T226 PolarHBondContact O-N 3.47Å; T226-H229 PolarHBondContact O-N 3.37Å; T226-L230 HydrophobicContact CG2-CD1 3.57Å; T226-L230 HydrophobicContact CG2-CG 4.05Å; T226-L230 VanDerWaalsContact O-CB 3.32Å; T226-L230 WeakPolarHBondContact O-CB 3.41Å; T226-L230 WeakPolarHBondContact O-CG 3.41Å; T226-L230 PolarHBondContact O-N 2.82Å; T226-L236 HydrophobicContact CG2-CD1 4.24Å |
| 227 | M | 70.6 | Confident | 82.9 | Confident | 87 Ų | 87 | 80 Ų | 80 | 43% | 0.429 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 174.3 | -62.5 | -167.1 | -69.2 | 0 | 0 | 111.8 | S223 R224 L230 L236 | S223-M227 PolarHBondContact O-N 3.26Å; R224-M227 HydrophobicContact CB-CE 4.19Å; R224-M227 HydrophobicContact CG-CE 3.79Å; R224-M227 PolarHBondContact O-N 2.89Å; R224-M227 VanDerWaalsContact O-N 3.14Å; M227-L230 CarbonylContact O-C 3.57Å; M227-L236 HydrophobicContact CG-CD2 3.93Å |
| 228 | V | 70.7 | Confident | 82.6 | Confident | 121 Ų | 121 | 85.2 Ų | 85.2 | 73% | 0.733 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -69.3 | -39.2 | 175.2 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | R224 K225 | R224-V228 WeakPolarHBondContact O-CG2 3.49Å; R224-V228 PolarHBondContact O-N 3.45Å; K225-V228 PolarHBondContact O-N 2.83Å |
| 229 | H | 76.1 | Confident | 82.3 | Confident | 126 Ų | 126 | 84.6 Ų | 84.6 | 58% | 0.583 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -70.9 | -40.6 | 179.8 | -176.4 | 69.5 | 0 | 0 | 0 | 112.9 | K225 T226 K231 | K225-H229 WeakPolarHBondContact O-CB 3.3Å; K225-H229 PolarHBondContact O-N 3.4Å; T226-H229 PolarHBondContact O-N 3.37Å; H229-K231 PolarHBondContact O-N 2.92Å |
| 230 | L | 74.8 | Confident | 82.2 | Confident | 21 Ų | 21 | 80.7 Ų | 80.7 | 11% | 0.11 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -85.9 | 88 | 174.6 | -59.1 | 177.5 | 0 | 0 | 0 | 108 | T226 M227 S232 L236 K239 | T226-L230 HydrophobicContact CG2-CD1 3.57Å; T226-L230 HydrophobicContact CG2-CG 4.05Å; T226-L230 VanDerWaalsContact O-CB 3.32Å; T226-L230 WeakPolarHBondContact O-CB 3.41Å; T226-L230 WeakPolarHBondContact O-CG 3.41Å; T226-L230 PolarHBondContact O-N 2.82Å; M227-L230 CarbonylContact O-C 3.57Å; L230-S232 PolarHBondContact O-N 3Å; L230-L236 HydrophobicContact CD1-CB 3.98Å; L230-L236 HydrophobicContact CD1-CD1 3.89Å; L230-K239 HydrophobicContact CD1-CD 4.01Å |
| 231 | K | 70.4 | Confident | 82.2 | Confident | 211 Ų | 211 | 83.8 Ų | 83.8 | 92% | 0.917 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -48.9 | -3.4 | 179.5 | -63.2 | -175.5 | 175.5 | -175.2 | 0 | 116.5 | H229 | H229-K231 PolarHBondContact O-N 2.92Š|
| 232 | S | 80.1 | Confident | 82.3 | Confident | 55 Ų | 55 | 87 Ų | 87 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | trans | -143.8 | 128.2 | 179.9 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | L230 S234 A235 L236 | L230-S232 PolarHBondContact O-N 3Å; S232-S234 PolarHBondContact O-N 2.96Å; S232-S234 VanDerWaalsContact O-N 3.13Å; S232-S234 WeakPolarHBondContact OG-CB 3.47Å; S232-S234 PolarHBondContact OG-N 3.31Å; S232-S234 PolarHBondContact OG-OG 3.49Å; S232-A235 PolarHBondContact O-N 2.92Å; S232-L236 PolarHBondContact O-N 3.35Å | ||
| 233 | D | 84.1 | Confident | 82.6 | Confident | 115 Ų | 115 | 84.6 Ų | 84.6 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -54.1 | -30.9 | 171.4 | -68.8 | -28 | 0 | 0 | 0 | 112.3 | A235 L236 N237 | D233-A235 VanDerWaalsContact C-N 3.32Å; D233-A235 PolarHBondContact O-N 3.32Å; D233-L236 PolarHBondContact O-N 3.36Å; D233-N237 WeakPolarHBondContact O-CB 3.23Å; D233-N237 VanDerWaalsContact O-CG 3.24Å; D233-N237 PolarHBondContact O-N 3.29Å; D233-N237 PolarHBondContact O-ND2 3.48Å |
| 234 | S | 85.6 | Confident | 83 | Confident | 50 Ų | 50 | 87.9 Ų | 87.9 | 35% | 0.35 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 177 | 77.3 | 0 | 0 | 0 | 0 | 112.4 | S232 N237 R238 | S232-S234 PolarHBondContact O-N 2.96Å; S232-S234 VanDerWaalsContact O-N 3.13Å; S232-S234 WeakPolarHBondContact OG-CB 3.47Å; S232-S234 PolarHBondContact OG-N 3.31Å; S232-S234 PolarHBondContact OG-OG 3.49Å; S234-N237 PolarHBondContact O-N 2.98Å; S234-R238 WeakPolarHBondContact O-CG 3.13Å; S234-R238 PolarHBondContact O-N 2.92Å; S234-R238 PolarHBondContact O-NH1 2.96Å; S234-R238 PolarHBondContact OG-NH1 2.8Å; S234-R238 VanDerWaalsContact OG-NH1 3.15Å |
| 235 | A | 86.1 | Confident | 84 | Confident | 25 Ų | 25 | 78.2 Ų | 78.2 | 21% | 0.207 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.1 | -37.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S232 D233 K239 | S232-A235 PolarHBondContact O-N 2.92Å; D233-A235 VanDerWaalsContact C-N 3.32Å; D233-A235 PolarHBondContact O-N 3.32Å; A235-K239 WeakPolarHBondContact O-CG 3.04Å; A235-K239 PolarHBondContact O-N 2.92Å; A235-K239 VanDerWaalsContact O-N 3.14Å |
| 236 | L | 88 | Confident | 84.8 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 174 | 178.7 | 58.6 | 0 | 0 | 0 | 111.3 | L221 T226 M227 L230 S232 D233 R238 K239 K240 | L221-L236 HydrophobicContact CB-CD1 4.18Å; L221-L236 HydrophobicContact CD2-CD1 4.13Å; L221-L236 WeakPolarHBondContact O-CD1 3.37Å; T226-L236 HydrophobicContact CG2-CD1 4.24Å; M227-L236 HydrophobicContact CG-CD2 3.93Å; L230-L236 HydrophobicContact CD1-CB 3.98Å; L230-L236 HydrophobicContact CD1-CD1 3.89Å; S232-L236 PolarHBondContact O-N 3.35Å; D233-L236 PolarHBondContact O-N 3.36Å; L236-R238 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 2.94Å; L236-K239 PolarHBondContact O-N 3.36Å; L236-K239 VanDerWaalsContact O-N 3.16Å; L236-K240 HydrophobicContact CD1-CD 4.38Å; L236-K240 HydrophobicContact CD1-CG 4.27Å; L236-K240 HydrophobicContact CG-CD 4.27Å; L236-K240 PolarHBondContact O-N 2.99Å |
| 237 | N | 88.6 | Confident | 85.6 | Confident | 98 Ų | 98 | 72 Ų | 72 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 178.9 | -73.2 | -20.5 | 0 | 0 | 0 | 111.8 | D233 S234 K240 R241 | D233-N237 WeakPolarHBondContact O-CB 3.23Å; D233-N237 VanDerWaalsContact O-CG 3.24Å; D233-N237 PolarHBondContact O-N 3.29Å; D233-N237 PolarHBondContact O-ND2 3.48Å; S234-N237 PolarHBondContact O-N 2.98Å; N237-K240 PolarHBondContact O-N 3.49Å; N237-R241 WeakPolarHBondContact O-CB 3.08Å; N237-R241 PolarHBondContact O-N 3.33Å |
| 238 | R | 87.9 | Confident | 86.9 | Confident | 110 Ų | 110 | 70.5 Ų | 70.5 | 42% | 0.415 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60 | -46 | 172.5 | -74.7 | -171.7 | -62.4 | -88 | 1.6 | 112.2 | S234 L236 R241 L242 | S234-R238 WeakPolarHBondContact O-CG 3.13Å; S234-R238 PolarHBondContact O-N 2.92Å; S234-R238 PolarHBondContact O-NH1 2.96Å; S234-R238 PolarHBondContact OG-NH1 2.8Å; S234-R238 VanDerWaalsContact OG-NH1 3.15Å; L236-R238 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 2.94Å; R238-R241 PolarHBondContact O-N 3.07Å; R238-L242 WeakPolarHBondContact O-CG 3.22Å; R238-L242 PolarHBondContact O-N 3.46Å |
| 239 | K | 88.7 | Confident | 88 | Confident | 83 Ų | 83 | 64.8 Ų | 64.8 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.8 | -73.8 | -177.1 | 178.9 | -175.9 | 0 | 112.4 | L221 L230 A235 L236 L242 L243 | L221-K239 HydrophobicContact CD1-CB 4.38Å; L221-K239 HydrophobicContact CD2-CB 4.26Å; L221-K239 HydrophobicContact CD2-CD 4.23Å; L230-K239 HydrophobicContact CD1-CD 4.01Å; A235-K239 WeakPolarHBondContact O-CG 3.04Å; A235-K239 PolarHBondContact O-N 2.92Å; A235-K239 VanDerWaalsContact O-N 3.14Å; L236-K239 PolarHBondContact O-N 3.36Å; L236-K239 VanDerWaalsContact O-N 3.16Å; K239-L242 PolarHBondContact O-N 3.43Å; K239-L243 PolarHBondContact O-N 3.12Å |
| 240 | K | 91.3 | Very high | 88.9 | Confident | 48 Ų | 48 | 59.3 Ų | 59.3 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 175.7 | -74.8 | -177 | 174.9 | 178.3 | 0 | 111.5 | L221 L236 N237 L243 K244 | L221-K240 HydrophobicContact CB-CG 4.33Å; L221-K240 HydrophobicContact CD1-CG 4.13Å; L221-K240 WeakPolarHBondContact O-CE 3.43Å; L236-K240 HydrophobicContact CD1-CD 4.38Å; L236-K240 HydrophobicContact CD1-CG 4.27Å; L236-K240 HydrophobicContact CG-CD 4.27Å; L236-K240 PolarHBondContact O-N 2.99Å; N237-K240 PolarHBondContact O-N 3.49Å; K240-L243 PolarHBondContact O-N 2.99Å; K240-K244 WeakPolarHBondContact O-CB 3.46Å; K240-K244 VanDerWaalsContact O-CG 3.32Å; K240-K244 WeakPolarHBondContact O-CG 3.32Å; K240-K244 PolarHBondContact O-N 3.2Å |
| 241 | R | 91.7 | Very high | 89.9 | Confident | 95 Ų | 95 | 61.5 Ų | 61.5 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 175.8 | -174.5 | -179.1 | -178.1 | 178.2 | 4.3 | 111.8 | N237 R238 K244 M245 W304 M305 E307 | N237-R241 WeakPolarHBondContact O-CB 3.08Å; N237-R241 PolarHBondContact O-N 3.33Å; R238-R241 PolarHBondContact O-N 3.07Å; R241-K244 PolarHBondContact O-N 3.33Å; R241-M245 PolarHBondContact O-N 3.02Å; R241-W304 PolarHBondContact NH2-O 2.67Å; R241-M305 PolarHBondContact NE-O 3.42Å; R241-E307 IonicContact CZ-OE1 2.82Å; R241-E307 IonicContact NH1-OE1 3.89Å; R241-E307 PolarHBondContact NH1-OE1 3.38Å |
| 242 | L | 91.5 | Very high | 91.1 | Very high | 68 Ų | 68 | 53 Ų | 53 | 36% | 0.356 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 175.6 | -68.9 | 174 | 0 | 0 | 0 | 111.9 | R238 K239 M245 L246 N306 | R238-L242 WeakPolarHBondContact O-CG 3.22Å; R238-L242 PolarHBondContact O-N 3.46Å; K239-L242 PolarHBondContact O-N 3.43Å; L242-M245 WeakPolarHBondContact O-CB 3.32Å; L242-M245 PolarHBondContact O-N 3.42Å; L242-L246 WeakPolarHBondContact O-CG 3.23Å; L242-L246 PolarHBondContact O-N 2.62Å; L242-L246 VanDerWaalsContact O-N 3.09Å; L242-N306 HydrophobicContact CD2-CB 4.33Å |
| 243 | L | 93.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.3 | -179.9 | 64.1 | 0 | 0 | 0 | 111.8 | Y214 I217 W218 L221 K239 K240 M245 L246 I247 | Y214-L243 HydrophobicContact CD1-CD1 3.44Å; Y214-L243 VanDerWaalsContact CD1-CD1 3.44Å; Y214-L243 HydrophobicContact CE1-CD1 3.94Å; Y214-L243 HydrophobicContact CG-CD1 4.09Å; I217-L243 HydrophobicContact CB-CD1 4.35Å; I217-L243 HydrophobicContact CB-CD2 4.18Å; I217-L243 HydrophobicContact CD1-CD1 4.36Å; I217-L243 HydrophobicContact CG2-CD1 4Å; I217-L243 HydrophobicContact CG2-CD2 3.61Å; I217-L243 HydrophobicContact CG2-CG 4.39Å; W218-L243 HydrophobicContact CB-CD2 4.37Å; W218-L243 HydrophobicContact CE3-CD2 3.98Å; L221-L243 HydrophobicContact CD1-CD2 3.85Å; K239-L243 PolarHBondContact O-N 3.12Å; K240-L243 PolarHBondContact O-N 2.99Å; L243-M245 VanDerWaalsContact C-N 3.28Å; L243-M245 PolarHBondContact O-N 3.27Å; L243-L246 PolarHBondContact O-N 3.18Å; L243-L246 VanDerWaalsContact O-N 3.16Å; L243-I247 HydrophobicContact CD1-CD1 4.37Å; L243-I247 HydrophobicContact CD1-CG1 4.47Å; L243-I247 HydrophobicContact CG-CD1 3.97Å; L243-I247 HydrophobicContact CG-CG1 4.49Å; L243-I247 WeakPolarHBondContact O-CG1 3.39Å; L243-I247 PolarHBondContact O-N 2.81Å |
| 244 | K | 94.7 | Very high | 92.3 | Very high | 115 Ų | 115 | 45.8 Ų | 45.8 | 50% | 0.5 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.4 | -40.5 | 175.2 | -76 | -179.8 | 178.5 | -171.3 | 0 | 111.8 | W218 K240 R241 I247 L248 M305 | W218-K244 HydrophobicContact CZ3-CG 4.18Å; K240-K244 WeakPolarHBondContact O-CB 3.46Å; K240-K244 VanDerWaalsContact O-CG 3.32Å; K240-K244 WeakPolarHBondContact O-CG 3.32Å; K240-K244 PolarHBondContact O-N 3.2Å; R241-K244 PolarHBondContact O-N 3.33Å; K244-I247 PolarHBondContact O-N 2.73Å; K244-L248 WeakPolarHBondContact O-CB 3.38Å; K244-L248 PolarHBondContact O-N 2.87Å; K244-M305 HydrophobicContact CB-CE 3.89Å |
| 245 | M | 94.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -48.5 | 174.3 | -177.7 | -168.5 | 78.9 | 0 | 0 | 111.3 | R241 L242 L243 I247 L248 M249 L301 Y302 M305 N306 | R241-M245 PolarHBondContact O-N 3.02Å; L242-M245 WeakPolarHBondContact O-CB 3.32Å; L242-M245 PolarHBondContact O-N 3.42Å; L243-M245 VanDerWaalsContact C-N 3.28Å; L243-M245 PolarHBondContact O-N 3.27Å; M245-I247 PolarHBondContact O-N 3.29Å; M245-L248 PolarHBondContact O-N 3.43Å; M245-M249 HydrophobicContact CE-SD 4.22Å; M245-M249 HydrophobicContact CG-SD 4.44Å; M245-M249 WeakPolarHBondContact O-CG 3.22Å; M245-M249 PolarHBondContact O-N 3.28Å; M245-L301 HydrophobicContact CG-CB 4.26Å; M245-Y302 HydrophobicContact CE-CD1 4.01Å; M245-Y302 HydrophobicContact CE-CE1 4.18Å; M245-Y302 HydrophobicContact SD-CD1 3.98Å; M245-M305 HydrophobicContact CB-CB 3.71Å; M245-M305 HydrophobicContact CB-CE 3.98Å; M245-M305 HydrophobicContact CB-CG 4.39Å; M245-M305 HydrophobicContact CB-SD 3.84Å; M245-M305 HydrophobicContact CG-CB 3.73Å; M245-M305 HydrophobicContact CG-CG 4.44Å; M245-M305 HydrophobicContact CG-SD 4.14Å; M245-M305 HydrophobicContact SD-CB 3.97Å; M245-N306 HydrophobicContact CE-CB 4.46Å; M245-N306 HydrophobicContact SD-CB 3.78Å |
| 246 | L | 93.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.9 | -37.6 | -179.7 | -67.4 | 176.8 | 0 | 0 | 0 | 112.8 | I125 R129 Y214 L242 L243 M249 V250 | I125-L246 HydrophobicContact CG2-CD1 4.12Å; I125-L246 HydrophobicContact CG2-CD2 3.79Å; R129-L246 HydrophobicContact CG-CD1 3.63Å; Y214-L246 HydrophobicContact CE1-CB 4.22Å; Y214-L246 HydrophobicContact CE2-CB 4.47Å; Y214-L246 WeakPolarHBondContact OH-CB 3.41Å; L242-L246 WeakPolarHBondContact O-CG 3.23Å; L242-L246 PolarHBondContact O-N 2.62Å; L242-L246 VanDerWaalsContact O-N 3.09Å; L243-L246 PolarHBondContact O-N 3.18Å; L243-L246 VanDerWaalsContact O-N 3.16Å; L246-M249 HydrophobicContact CD2-SD 3.93Å; L246-V250 WeakPolarHBondContact O-CG2 3.34Å; L246-V250 PolarHBondContact O-N 3.19Å |
| 247 | I | 95.7 | Very high | 93.6 | Very high | 58 Ų | 58 | 48.1 Ų | 48.1 | 30% | 0.297 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.8 | -48.6 | 171.8 | -68.1 | 166.3 | 0 | 0 | 0 | 109.5 | Y214 L243 K244 M245 M249 V250 T251 | Y214-I247 HydrophobicContact CD2-CB 4.44Å; Y214-I247 HydrophobicContact CD2-CG1 3.53Å; Y214-I247 HydrophobicContact CE2-CG1 4.11Å; Y214-I247 HydrophobicContact CG-CG1 3.82Å; L243-I247 HydrophobicContact CD1-CD1 4.37Å; L243-I247 HydrophobicContact CD1-CG1 4.47Å; L243-I247 HydrophobicContact CG-CD1 3.97Å; L243-I247 HydrophobicContact CG-CG1 4.49Å; L243-I247 WeakPolarHBondContact O-CG1 3.39Å; L243-I247 PolarHBondContact O-N 2.81Å; K244-I247 PolarHBondContact O-N 2.73Å; M245-I247 PolarHBondContact O-N 3.29Å; I247-M249 VanDerWaalsContact C-N 3.33Å; I247-M249 PolarHBondContact O-N 3.09Å; I247-V250 PolarHBondContact O-N 3.04Å; I247-V250 VanDerWaalsContact O-N 3.16Å; I247-T251 PolarHBondContact O-N 2.97Å; I247-T251 PolarHBondContact O-OG1 3.14Å; I247-T251 VanDerWaalsContact O-OG1 3.05Å |
| 248 | L | 96.2 | Very high | 93.9 | Very high | 56 Ų | 56 | 47 Ų | 47 | 29% | 0.293 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -39.4 | -179.5 | -175.3 | 58 | 0 | 0 | 0 | 112.3 | K244 M245 V250 T251 I252 L301 W304 M305 | K244-L248 WeakPolarHBondContact O-CB 3.38Å; K244-L248 PolarHBondContact O-N 2.87Å; M245-L248 PolarHBondContact O-N 3.43Å; L248-V250 VanDerWaalsContact C-N 3.34Å; L248-V250 PolarHBondContact O-N 2.97Å; L248-T251 PolarHBondContact O-N 3.28Å; L248-I252 HydrophobicContact CD1-CD1 3.82Å; L248-I252 HydrophobicContact CD1-CG1 3.93Å; L248-I252 HydrophobicContact CG-CD1 3.85Å; L248-I252 HydrophobicContact CG-CG1 4.33Å; L248-I252 WeakPolarHBondContact O-CB 3.36Å; L248-I252 WeakPolarHBondContact O-CG1 3.33Å; L248-I252 PolarHBondContact O-N 3.13Å; L248-L301 HydrophobicContact CD2-CD2 3.39Å; L248-L301 HydrophobicContact CG-CD1 4.33Å; L248-L301 HydrophobicContact CG-CD2 3.87Å; L248-W304 HydrophobicContact CD2-CZ3 4.33Å; L248-M305 HydrophobicContact CD2-SD 4Å |
| 249 | M | 94.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.5 | -48 | 173.6 | -72.6 | 171.7 | 65.4 | 0 | 0 | 111.6 | L73 L122 M245 L246 I247 F253 L301 Y302 | L73-M249 HydrophobicContact CD1-CE 4Å; L122-M249 HydrophobicContact CD2-CB 4.43Å; L122-M249 HydrophobicContact CD2-CE 3.99Å; M245-M249 HydrophobicContact CE-SD 4.22Å; M245-M249 HydrophobicContact CG-SD 4.44Å; M245-M249 WeakPolarHBondContact O-CG 3.22Å; M245-M249 PolarHBondContact O-N 3.28Å; L246-M249 HydrophobicContact CD2-SD 3.93Å; I247-M249 VanDerWaalsContact C-N 3.33Å; I247-M249 PolarHBondContact O-N 3.09Å; M249-F253 VanDerWaalsContact O-CB 3.25Å; M249-F253 WeakPolarHBondContact O-CB 3.49Å; M249-F253 PolarHBondContact O-N 3.3Å; M249-L301 HydrophobicContact CB-CD1 4.14Å; M249-L301 HydrophobicContact CG-CB 4.39Å; M249-L301 HydrophobicContact CG-CD1 3.4Å; M249-L301 VanDerWaalsContact CG-CD1 3.4Å; M249-Y302 HydrophobicContact CE-CE1 3.75Å; M249-Y302 WeakPolarHBondContact CE-OH 3.42Å; M249-Y302 HydrophobicContact SD-CD1 4.49Å; M249-Y302 HydrophobicContact SD-CE1 3.61Å |
| 250 | V | 94.8 | Very high | 94.4 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.7 | -40.9 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | L122 F207 I210 Y214 L246 I247 L248 F253 G254 | L122-V250 HydrophobicContact CB-CG2 4.2Å; L122-V250 HydrophobicContact CD1-CG2 4.23Å; L122-V250 HydrophobicContact CD2-CG2 4.06Å; L122-V250 HydrophobicContact CG-CG2 4.39Å; F207-V250 HydrophobicContact CD1-CG1 4.15Å; F207-V250 HydrophobicContact CE1-CG1 3.92Å; F207-V250 HydrophobicContact CZ-CG1 4.41Å; I210-V250 HydrophobicContact CD1-CG1 4.13Å; I210-V250 HydrophobicContact CD1-CG2 4.23Å; I210-V250 HydrophobicContact CG2-CB 4.44Å; I210-V250 HydrophobicContact CG2-CG1 4.01Å; I210-V250 HydrophobicContact CG2-CG2 4.04Å; Y214-V250 HydrophobicContact CE2-CG2 4.03Å; L246-V250 WeakPolarHBondContact O-CG2 3.34Å; L246-V250 PolarHBondContact O-N 3.19Å; I247-V250 PolarHBondContact O-N 3.04Å; I247-V250 VanDerWaalsContact O-N 3.16Å; L248-V250 VanDerWaalsContact C-N 3.34Å; L248-V250 PolarHBondContact O-N 2.97Å; V250-F253 PolarHBondContact O-N 3.44Å; V250-G254 PolarHBondContact O-N 3.4Å |
| 251 | T | 95.8 | Very high | 94.5 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.1 | -47 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | I247 L248 G254 L255 | I247-T251 PolarHBondContact O-N 2.97Å; I247-T251 PolarHBondContact O-OG1 3.14Å; I247-T251 VanDerWaalsContact O-OG1 3.05Å; L248-T251 PolarHBondContact O-N 3.28Å; T251-G254 PolarHBondContact O-N 3.48Å; T251-L255 HydrophobicContact CG2-CD1 3.8Å; T251-L255 HydrophobicContact CG2-CG 4.31Å; T251-L255 WeakPolarHBondContact O-CB 3.37Å; T251-L255 VanDerWaalsContact O-CG 3.27Å; T251-L255 WeakPolarHBondContact O-CG 3.14Å; T251-L255 PolarHBondContact O-N 2.79Å |
| 252 | I | 96.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -47.3 | 177.6 | -71.4 | 177.9 | 0 | 0 | 0 | 110.3 | L248 G254 L255 C256 W297 L301 | L248-I252 HydrophobicContact CD1-CD1 3.82Å; L248-I252 HydrophobicContact CD1-CG1 3.93Å; L248-I252 HydrophobicContact CG-CD1 3.85Å; L248-I252 HydrophobicContact CG-CG1 4.33Å; L248-I252 WeakPolarHBondContact O-CB 3.36Å; L248-I252 WeakPolarHBondContact O-CG1 3.33Å; L248-I252 PolarHBondContact O-N 3.13Å; I252-G254 VanDerWaalsContact C-N 3.33Å; I252-G254 PolarHBondContact O-N 3.28Å; I252-L255 PolarHBondContact O-N 2.98Å; I252-C256 WeakPolarHBondContact O-CB 3.5Å; I252-C256 PolarHBondContact O-N 3.23Å; I252-C256 PolarHBondContact O-SG 3.01Å; I252-C256 VanDerWaalsContact O-SG 3.32Å; I252-W297 HydrophobicContact CD1-CB 4.47Å; I252-W297 HydrophobicContact CD1-CD2 4.46Å; I252-W297 HydrophobicContact CD1-CG 4.39Å; I252-W297 HydrophobicContact CG2-CB 3.85Å; I252-W297 VanDerWaalsContact CG2-CD1 3.48Å; I252-W297 HydrophobicContact CG2-CG 3.69Å; I252-L301 HydrophobicContact CD1-CD1 4.21Å |
| 253 | F | 94.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.9 | -49.3 | 176.2 | 179.1 | -94.1 | 0 | 0 | 0 | 111.3 | I115 S118 T119 L122 F207 M249 V250 C256 W257 A294 | I115-F253 HydrophobicContact CG2-CZ 3.89Å; S118-F253 VanDerWaalsContact CB-CE2 3.44Å; T119-F253 WeakPolarHBondContact OG1-CE1 3.46Å; T119-F253 VanDerWaalsContact OG1-CZ 3.27Å; T119-F253 WeakPolarHBondContact OG1-CZ 3.36Å; L122-F253 HydrophobicContact CD1-CB 4.16Å; L122-F253 HydrophobicContact CD1-CD1 4.04Å; L122-F253 HydrophobicContact CD1-CD2 4.39Å; L122-F253 HydrophobicContact CD1-CG 3.93Å; F207-F253 HydrophobicContact CE2-CD1 4.41Å; F207-F253 HydrophobicContact CE2-CE1 4.48Å; F207-F253 HydrophobicContact CZ-CD1 4Å; F207-F253 HydrophobicContact CZ-CE1 4.47Å; M249-F253 VanDerWaalsContact O-CB 3.25Å; M249-F253 WeakPolarHBondContact O-CB 3.49Å; M249-F253 PolarHBondContact O-N 3.3Å; V250-F253 PolarHBondContact O-N 3.44Å; F253-C256 PolarHBondContact O-N 2.91Å; F253-W257 AromaticContact CD2-CD1 3.51Å; F253-W257 AromaticContact CD2-NE1 3.63Å; F253-W257 AromaticContact CE2-CD1 3.37Å; F253-W257 HydrophobicContact CE2-CG 4.41Å; F253-W257 AromaticContact CE2-NE1 3.26Å; F253-W257 VanDerWaalsContact CE2-NE1 3.26Å; F253-W257 AromaticContact CG-CD1 3.98Å; F253-W257 AromaticContact CZ-CD1 3.73Å; F253-W257 HydrophobicContact CZ-CG 4.42Å; F253-W257 AromaticContact CZ-NE1 3.91Å; F253-W257 WeakPolarHBondContact O-CB 3.5Å; F253-W257 VanDerWaalsContact O-CD1 3.24Å; F253-W257 PolarHBondContact O-N 2.68Å; F253-A294 HydrophobicContact CD2-CB 4.42Å |
| 254 | G | 94.6 | Very high | 94.2 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.7 | -50.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V250 T251 I252 C256 W257 L258 | V250-G254 PolarHBondContact O-N 3.4Å; T251-G254 PolarHBondContact O-N 3.48Å; I252-G254 VanDerWaalsContact C-N 3.33Å; I252-G254 PolarHBondContact O-N 3.28Å; G254-C256 PolarHBondContact O-N 3.24Å; G254-W257 PolarHBondContact O-N 2.94Å; G254-L258 WeakPolarHBondContact O-CB 3.37Å; G254-L258 PolarHBondContact O-N 3.47Å |
| 255 | L | 95.8 | Very high | 93.9 | Very high | 112 Ų | 112 | 32.8 Ų | 32.8 | 59% | 0.586 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -66.8 | -35.5 | -178.2 | -69.3 | 175.9 | 0 | 0 | 0 | 112.8 | T251 I252 P259 | T251-L255 HydrophobicContact CG2-CD1 3.8Å; T251-L255 HydrophobicContact CG2-CG 4.31Å; T251-L255 WeakPolarHBondContact O-CB 3.37Å; T251-L255 VanDerWaalsContact O-CG 3.27Å; T251-L255 WeakPolarHBondContact O-CG 3.14Å; T251-L255 PolarHBondContact O-N 2.79Å; I252-L255 PolarHBondContact O-N 2.98Å; L255-P259 WeakPolarHBondContact O-CD 3.5Å |
| 256 | C | 96.7 | Very high | 93.6 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 8% | 0.081 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.8 | -44.3 | 177.9 | -77.7 | 0 | 0 | 0 | 0 | 111.7 | I252 F253 G254 I290 A291 A294 | I252-C256 WeakPolarHBondContact O-CB 3.5Å; I252-C256 PolarHBondContact O-N 3.23Å; I252-C256 PolarHBondContact O-SG 3.01Å; I252-C256 VanDerWaalsContact O-SG 3.32Å; F253-C256 PolarHBondContact O-N 2.91Å; G254-C256 PolarHBondContact O-N 3.24Å; C256-I290 HydrophobicContact CB-CG2 4.4Å; C256-I290 VanDerWaalsContact CB-O 3.29Å; C256-I290 WeakPolarHBondContact CB-O 3.3Å; C256-I290 PolarHBondContact SG-O 3.21Å; C256-A291 WeakPolarHBondContact O-CA 3.34Å; C256-A291 PolarHBondContact O-N 3.38Å; C256-A294 HydrophobicContact CB-CB 3.75Å |
| 257 | W | 94.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -79.1 | -26.5 | -177.6 | -79.5 | 100 | 0 | 0 | 0 | 113.4 | I115 F203 F253 G254 F260 N261 A291 M292 | I115-W257 HydrophobicContact CD1-CD2 4.36Å; I115-W257 HydrophobicContact CD1-CE3 3.61Å; I115-W257 HydrophobicContact CD1-CH2 3.51Å; I115-W257 HydrophobicContact CD1-CZ2 4.26Å; I115-W257 HydrophobicContact CD1-CZ3 3.13Å; I115-W257 HydrophobicContact CG1-CD2 4.05Å; I115-W257 HydrophobicContact CG1-CE3 3.78Å; I115-W257 HydrophobicContact CG1-CH2 3.24Å; I115-W257 HydrophobicContact CG1-CZ2 3.53Å; I115-W257 HydrophobicContact CG1-CZ3 3.39Å; I115-W257 HydrophobicContact CG2-CD2 4.27Å; I115-W257 HydrophobicContact CG2-CE3 4.45Å; F203-W257 HydrophobicContact CE1-CB 4.3Å; F203-W257 HydrophobicContact CZ-CB 3.76Å; F253-W257 AromaticContact CD2-CD1 3.51Å; F253-W257 AromaticContact CD2-NE1 3.63Å; F253-W257 AromaticContact CE2-CD1 3.37Å; F253-W257 HydrophobicContact CE2-CG 4.41Å; F253-W257 AromaticContact CE2-NE1 3.26Å; F253-W257 VanDerWaalsContact CE2-NE1 3.26Å; F253-W257 AromaticContact CG-CD1 3.98Å; F253-W257 AromaticContact CZ-CD1 3.73Å; F253-W257 HydrophobicContact CZ-CG 4.42Å; F253-W257 AromaticContact CZ-NE1 3.91Å; F253-W257 WeakPolarHBondContact O-CB 3.5Å; F253-W257 VanDerWaalsContact O-CD1 3.24Å; F253-W257 PolarHBondContact O-N 2.68Å; G254-W257 PolarHBondContact O-N 2.94Å; W257-F260 HydrophobicContact CE3-CD1 4.22Å; W257-F260 HydrophobicContact CZ3-CD1 4Å; W257-F260 HydrophobicContact CZ3-CE1 4.38Å; W257-F260 PolarHBondContact O-N 2.8Å; W257-N261 PolarHBondContact O-N 3.36Å; W257-N261 VanDerWaalsContact O-N 3.07Å; W257-N261 PolarHBondContact O-ND2 3.26Å; W257-A291 HydrophobicContact CD2-CB 3.91Å; W257-A291 HydrophobicContact CE3-CB 3.67Å; W257-A291 HydrophobicContact CG-CB 4.47Å; W257-A291 HydrophobicContact CH2-CB 4.34Å; W257-A291 HydrophobicContact CZ3-CB 3.89Å; W257-M292 HydrophobicContact CH2-CE 3.83Å |
| 258 | L | 93.2 | Very high | 92.7 | Very high | 74 Ų | 74 | 39.8 Ų | 39.8 | 39% | 0.387 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -55.3 | -50.5 | -174.6 | 179.7 | 69.1 | 0 | 0 | 0 | 113.5 | G254 F260 N261 M262 | G254-L258 WeakPolarHBondContact O-CB 3.37Å; G254-L258 PolarHBondContact O-N 3.47Å; L258-F260 VanDerWaalsContact C-N 3.32Å; L258-F260 PolarHBondContact O-N 3.23Å; L258-N261 PolarHBondContact O-N 3.35Å; L258-M262 HydrophobicContact CD1-CE 3.94Å; L258-M262 HydrophobicContact CD1-CG 3.8Å; L258-M262 HydrophobicContact CD1-SD 4.15Å; L258-M262 HydrophobicContact CG-CG 4.08Å; L258-M262 WeakPolarHBondContact O-CB 3.24Å; L258-M262 VanDerWaalsContact O-CG 3.23Å; L258-M262 WeakPolarHBondContact O-CG 3.48Å; L258-M262 PolarHBondContact O-N 3.28Å |
| 259 | P | 94.7 | Very high | 92.1 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 34% | 0.344 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.5 | -41.1 | -179 | -25.1 | 34.3 | 0 | 0 | 0 | 113.5 | L255 L263 | L255-P259 WeakPolarHBondContact O-CD 3.5Å; P259-L263 WeakPolarHBondContact O-CB 3.25Å; P259-L263 PolarHBondContact O-N 3.08Å |
| 260 | F | 93.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 43.4 Ų | 43.4 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.5 | -44 | 179.8 | -175.9 | -108.8 | 0 | 0 | 0 | 111.4 | W257 L258 L263 N264 F284 H288 A291 | W257-F260 HydrophobicContact CE3-CD1 4.22Å; W257-F260 HydrophobicContact CZ3-CD1 4Å; W257-F260 HydrophobicContact CZ3-CE1 4.38Å; W257-F260 PolarHBondContact O-N 2.8Å; L258-F260 VanDerWaalsContact C-N 3.32Å; L258-F260 PolarHBondContact O-N 3.23Å; F260-L263 PolarHBondContact O-N 2.8Å; F260-N264 WeakPolarHBondContact CE1-ND2 3.35Å; F260-N264 WeakPolarHBondContact CZ-ND2 3.12Å; F260-N264 PolarHBondContact O-N 3.48Å; F260-N264 PolarHBondContact O-ND2 3.25Å; F260-F284 HydrophobicContact CE2-CD2 4.11Å; F260-F284 AromaticContact CE2-CE2 3.55Å; F260-F284 HydrophobicContact CE2-CE2 3.55Å; F260-F284 AromaticContact CE2-CZ 3.82Å; F260-F284 HydrophobicContact CE2-CZ 3.82Å; F260-F284 HydrophobicContact CZ-CE2 4.08Å; F260-F284 HydrophobicContact CZ-CZ 4.21Å; F260-H288 HydrophobicContact CD2-CB 3.87Å; F260-H288 HydrophobicContact CE2-CB 3.79Å; F260-H288 AromaticContact CE2-CD2 3.87Å; F260-H288 AromaticContact CZ-CD2 3.98Å; F260-A291 HydrophobicContact CB-CB 3.9Å; F260-A291 HydrophobicContact CG-CB 4.32Å |
| 261 | N | 92.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.1 | -35.8 | 178.4 | -74.9 | -90.7 | 0 | 0 | 0 | 112.1 | M199 Q202 F203 W257 L258 N264 L265 | M199-N261 HydrophobicContact CE-CB 3.65Å; M199-N261 HydrophobicContact SD-CB 4.32Å; Q202-N261 PolarHBondContact NE2-ND2 3.11Å; Q202-N261 PolarHBondContact NE2-OD1 3.17Å; F203-N261 HydrophobicContact CE2-CB 3.89Å; F203-N261 HydrophobicContact CZ-CB 4.36Å; W257-N261 PolarHBondContact O-N 3.36Å; W257-N261 VanDerWaalsContact O-N 3.07Å; W257-N261 PolarHBondContact O-ND2 3.26Å; L258-N261 PolarHBondContact O-N 3.35Å; N261-N264 PolarHBondContact O-N 3.17Å; N261-L265 WeakPolarHBondContact O-CB 3.45Å; N261-L265 PolarHBondContact O-N 3.1Å |
| 262 | M | 91.1 | Very high | 89.5 | Confident | 81 Ų | 81 | 46.1 Ų | 46.1 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 173.2 | -67.9 | -63.3 | 96.8 | 0 | 0 | 111.9 | M199 L258 L265 W266 | M199-M262 HydrophobicContact CE-CE 3.33Å; M199-M262 HydrophobicContact SD-CE 3.58Å; M199-M262 VanDerWaalsContact SD-CE 3.58Å; L258-M262 HydrophobicContact CD1-CE 3.94Å; L258-M262 HydrophobicContact CD1-CG 3.8Å; L258-M262 HydrophobicContact CD1-SD 4.15Å; L258-M262 HydrophobicContact CG-CG 4.08Å; L258-M262 WeakPolarHBondContact O-CB 3.24Å; L258-M262 VanDerWaalsContact O-CG 3.23Å; L258-M262 WeakPolarHBondContact O-CG 3.48Å; L258-M262 PolarHBondContact O-N 3.28Å; M262-L265 HydrophobicContact CE-CD2 4.34Å; M262-L265 PolarHBondContact O-N 3.49Å; M262-W266 WeakPolarHBondContact O-CB 3.33Å; M262-W266 PolarHBondContact O-N 3.18Å |
| 263 | L | 91.4 | Very high | 88.6 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | 175.9 | -176 | 65.4 | 0 | 0 | 0 | 111.6 | P259 F260 W266 R267 I274 F280 L283 F284 S287 | P259-L263 WeakPolarHBondContact O-CB 3.25Å; P259-L263 PolarHBondContact O-N 3.08Å; F260-L263 PolarHBondContact O-N 2.8Å; L263-W266 PolarHBondContact O-N 3.25Å; L263-R267 PolarHBondContact O-N 3.35Å; L263-I274 HydrophobicContact CD1-CD1 4.03Å; L263-F280 HydrophobicContact CD1-CE2 4.2Å; L263-F280 HydrophobicContact CD2-CE2 4.42Å; L263-F280 HydrophobicContact CG-CE2 4.36Å; L263-L283 HydrophobicContact CD2-CB 4.45Å; L263-F284 HydrophobicContact CD2-CB 4.08Å; L263-F284 HydrophobicContact CD2-CD2 4.27Å; L263-S287 WeakPolarHBondContact CD2-OG 3.37Å |
| 264 | N | 89.2 | Confident | 87.7 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 175.8 | -69.8 | -23.4 | 0 | 0 | 0 | 111.4 | F260 N261 W266 R267 D268 | F260-N264 WeakPolarHBondContact CE1-ND2 3.35Å; F260-N264 WeakPolarHBondContact CZ-ND2 3.12Å; F260-N264 PolarHBondContact O-N 3.48Å; F260-N264 PolarHBondContact O-ND2 3.25Å; N261-N264 PolarHBondContact O-N 3.17Å; N264-W266 VanDerWaalsContact C-N 3.3Å; N264-W266 PolarHBondContact O-N 2.91Å; N264-R267 WeakPolarHBondContact O-CB 2.93Å; N264-R267 PolarHBondContact O-N 2.96Å; N264-R267 VanDerWaalsContact O-N 3.08Å; N264-D268 PolarHBondContact O-N 2.97Å |
| 265 | L | 88.2 | Confident | 86.6 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 176.3 | -177.3 | 64.3 | 0 | 0 | 0 | 111.9 | F196 M199 N261 M262 D268 L269 | F196-L265 HydrophobicContact CD1-CD1 4.21Å; F196-L265 HydrophobicContact CE1-CD1 4.17Å; F196-L265 HydrophobicContact CE1-CD2 4.23Å; F196-L265 HydrophobicContact CG-CD1 4.39Å; F196-L265 HydrophobicContact CZ-CD1 4.33Å; M199-L265 HydrophobicContact CE-CB 4.3Å; M199-L265 HydrophobicContact CE-CD2 4.26Å; N261-L265 WeakPolarHBondContact O-CB 3.45Å; N261-L265 PolarHBondContact O-N 3.1Å; M262-L265 HydrophobicContact CE-CD2 4.34Å; M262-L265 PolarHBondContact O-N 3.49Å; L265-D268 PolarHBondContact O-N 3.28Å; L265-L269 HydrophobicContact CD1-CD1 4.32Å; L265-L269 HydrophobicContact CD1-CG 4.34Å; L265-L269 HydrophobicContact CG-CD1 4Å; L265-L269 HydrophobicContact CG-CG 4.42Å; L265-L269 WeakPolarHBondContact O-CB 3.42Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.02Å; L265-L269 PolarHBondContact O-N 3.35Å |
| 266 | W | 88.1 | Confident | 85.4 | Confident | 152 Ų | 152 | 46.8 Ų | 46.8 | 58% | 0.576 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61 | -48 | 173.2 | -171.7 | -16.3 | 0 | 0 | 0 | 110.5 | M262 L263 N264 D268 L269 S270 I274 | M262-W266 WeakPolarHBondContact O-CB 3.33Å; M262-W266 PolarHBondContact O-N 3.18Å; L263-W266 PolarHBondContact O-N 3.25Å; N264-W266 VanDerWaalsContact C-N 3.3Å; N264-W266 PolarHBondContact O-N 2.91Å; W266-D268 VanDerWaalsContact C-N 3.25Å; W266-D268 PolarHBondContact O-N 2.75Å; W266-L269 PolarHBondContact O-N 3.45Å; W266-L269 VanDerWaalsContact O-N 3.14Å; W266-S270 PolarHBondContact O-N 2.92Å; W266-I274 HydrophobicContact CD2-CG2 4.45Å; W266-I274 HydrophobicContact CG-CD1 4.37Å; W266-I274 HydrophobicContact CZ2-CG2 4.31Å |
| 267 | R | 85.9 | Confident | 84.5 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55 | -42.5 | 177.2 | -168.5 | -178.4 | 65 | 179.7 | 4.1 | 112.1 | E183 L263 N264 S270 I274 D275 | E183-R267 IonicContact OE2-NH2 2.87Å; E183-R267 PolarHBondContact OE2-NH2 3.14Å; L263-R267 PolarHBondContact O-N 3.35Å; N264-R267 WeakPolarHBondContact O-CB 2.93Å; N264-R267 PolarHBondContact O-N 2.96Å; N264-R267 VanDerWaalsContact O-N 3.08Å; R267-S270 CarbonylContact O-C 3.39Å; R267-I274 HydrophobicContact CB-CD1 4.04Å; R267-D275 WeakPolarHBondContact CD-OD1 3.37Å |
| 268 | D | 83.6 | Confident | 83.4 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.9 | -36.2 | 179.8 | -60.3 | -22.2 | 0 | 0 | 0 | 112.3 | Q191 N264 L265 W266 | Q191-D268 HydrophobicContact CG-CB 4.28Å; Q191-D268 PolarHBondContact NE2-OD1 3.28Å; N264-D268 PolarHBondContact O-N 2.97Å; L265-D268 PolarHBondContact O-N 3.28Å; W266-D268 VanDerWaalsContact C-N 3.25Å; W266-D268 PolarHBondContact O-N 2.75Å |
| 269 | L | 84.3 | Confident | 82.9 | Confident | 88 Ų | 88 | 55.2 Ų | 55.2 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -76.6 | -22.2 | 178.4 | -73.2 | 174.7 | 0 | 0 | 0 | 114 | F196 L265 W266 | F196-L269 HydrophobicContact CE2-CD2 3.64Å; F196-L269 HydrophobicContact CZ-CD1 4.22Å; F196-L269 HydrophobicContact CZ-CD2 3.87Å; L265-L269 HydrophobicContact CD1-CD1 4.32Å; L265-L269 HydrophobicContact CD1-CG 4.34Å; L265-L269 HydrophobicContact CG-CD1 4Å; L265-L269 HydrophobicContact CG-CG 4.42Å; L265-L269 WeakPolarHBondContact O-CB 3.42Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.02Å; L265-L269 PolarHBondContact O-N 3.35Å; W266-L269 PolarHBondContact O-N 3.45Å; W266-L269 VanDerWaalsContact O-N 3.14Å |
| 270 | S | 83.7 | Confident | 82.3 | Confident | 47 Ų | 47 | 54 Ų | 54 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -141.3 | 70.3 | -179.1 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | W266 R267 G272 A273 | W266-S270 PolarHBondContact O-N 2.92Å; R267-S270 CarbonylContact O-C 3.39Å; S270-G272 PolarHBondContact O-N 3.25Å; S270-A273 WeakPolarHBondContact O-CB 3.32Å; S270-A273 PolarHBondContact O-N 3.1Å |
| 271 | P | 75.3 | Confident | 81.8 | Confident | 92 Ų | 92 | 55.2 Ų | 55.2 | 60% | 0.597 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 126.8 | -178.5 | -25.4 | 34.8 | 0 | 0 | 0 | 111.3 | A273 | P271-A273 VanDerWaalsContact C-N 3.3Å; P271-A273 PolarHBondContact O-N 3.39Å |
| 272 | G | 72.1 | Confident | 81.5 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -9.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | S270 I274 D275 | S270-G272 PolarHBondContact O-N 3.25Å; G272-I274 PolarHBondContact O-N 3.49Å; G272-D275 PolarHBondContact N-OD2 2.93Å |
| 273 | A | 76.7 | Confident | 81.4 | Confident | 54 Ų | 54 | 58.5 Ų | 58.5 | 45% | 0.446 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -35.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | S270 P271 | S270-A273 WeakPolarHBondContact O-CB 3.32Å; S270-A273 PolarHBondContact O-N 3.1Å; P271-A273 VanDerWaalsContact C-N 3.3Å; P271-A273 PolarHBondContact O-N 3.39Å |
| 274 | I | 75.9 | Confident | 81.3 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -28.4 | -176.4 | 63.1 | 176.8 | 0 | 0 | 0 | 113 | L263 W266 R267 G272 A276 K277 F280 | L263-I274 HydrophobicContact CD1-CD1 4.03Å; W266-I274 HydrophobicContact CD2-CG2 4.45Å; W266-I274 HydrophobicContact CG-CD1 4.37Å; W266-I274 HydrophobicContact CZ2-CG2 4.31Å; R267-I274 HydrophobicContact CB-CD1 4.04Å; G272-I274 PolarHBondContact O-N 3.49Å; I274-A276 PolarHBondContact O-N 2.88Å; I274-K277 VanDerWaalsContact O-CB 3.3Å; I274-K277 WeakPolarHBondContact O-CB 3.23Å; I274-K277 WeakPolarHBondContact O-CG 3.32Å; I274-K277 PolarHBondContact O-N 2.81Å; I274-F280 HydrophobicContact CB-CD2 4.14Å; I274-F280 HydrophobicContact CD1-CD2 3.9Å; I274-F280 HydrophobicContact CD1-CE2 3.58Å; I274-F280 HydrophobicContact CG1-CD2 3.89Å; I274-F280 HydrophobicContact CG1-CE2 3.86Å; I274-F280 WeakPolarHBondContact O-CB 3.13Å |
| 275 | D | 72.8 | Confident | 81.4 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 34% | 0.342 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -31.8 | -172.2 | -58 | -40.6 | 0 | 0 | 0 | 112.7 | R267 G272 K277 | R267-D275 WeakPolarHBondContact CD-OD1 3.37Å; G272-D275 PolarHBondContact N-OD2 2.93Å; D275-K277 VanDerWaalsContact C-N 3.29Å; D275-K277 PolarHBondContact O-N 3.48Å |
| 276 | A | 69 | Low | 81.6 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -4.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | F15 Y18 I274 | F15-A276 HydrophobicContact CE2-CB 4.07Å; Y18-A276 WeakPolarHBondContact CE1-O 3.02Å; I274-A276 PolarHBondContact O-N 2.88Å |
| 277 | K | 77.7 | Confident | 82 | Confident | 103 Ų | 103 | 53.4 Ų | 53.4 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -84.2 | 134 | -177.5 | -58.5 | -66.7 | -173.7 | -174.6 | 0 | 110.3 | I274 D275 Y279 F280 | I274-K277 VanDerWaalsContact O-CB 3.3Å; I274-K277 WeakPolarHBondContact O-CB 3.23Å; I274-K277 WeakPolarHBondContact O-CG 3.32Å; I274-K277 PolarHBondContact O-N 2.81Å; D275-K277 VanDerWaalsContact C-N 3.29Å; D275-K277 PolarHBondContact O-N 3.48Å; K277-Y279 HydrophobicContact CB-CD1 3.99Å; K277-Y279 HydrophobicContact CB-CD2 4.33Å; K277-Y279 HydrophobicContact CB-CE1 3.59Å; K277-Y279 HydrophobicContact CB-CE2 3.96Å; K277-Y279 HydrophobicContact CB-CG 4.35Å; K277-Y279 HydrophobicContact CD-CE1 4.16Å; K277-Y279 HydrophobicContact CG-CE1 3.98Å; K277-Y279 HydrophobicContact CG-CE2 4.42Å; K277-Y279 PolarHBondContact O-N 3.06Å; K277-Y279 VanDerWaalsContact O-N 3.14Å; K277-F280 VanDerWaalsContact O-CB 3.25Å; K277-F280 WeakPolarHBondContact O-CB 3.2Å; K277-F280 PolarHBondContact O-N 3.24Å |
| 278 | S | 73 | Confident | 82.4 | Confident | 48 Ų | 48 | 51 Ų | 51 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30 | -178.3 | 50.5 | 0 | 0 | 0 | 0 | 113.9 | V22 F280 | V22-S278 WeakPolarHBondContact O-CB 3.17Å; S278-F280 VanDerWaalsContact C-N 3.35Å |
| 279 | Y | 81.3 | Confident | 83 | Confident | 119 Ų | 119 | 50.9 Ų | 50.9 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -10 | 178.4 | 60.4 | -103.7 | 0 | 0 | 0 | 114 | K277 V281 F282 L283 | K277-Y279 HydrophobicContact CB-CD1 3.99Å; K277-Y279 HydrophobicContact CB-CD2 4.33Å; K277-Y279 HydrophobicContact CB-CE1 3.59Å; K277-Y279 HydrophobicContact CB-CE2 3.96Å; K277-Y279 HydrophobicContact CB-CG 4.35Å; K277-Y279 HydrophobicContact CD-CE1 4.16Å; K277-Y279 HydrophobicContact CG-CE1 3.98Å; K277-Y279 HydrophobicContact CG-CE2 4.42Å; K277-Y279 PolarHBondContact O-N 3.06Å; K277-Y279 VanDerWaalsContact O-N 3.14Å; Y279-V281 PolarHBondContact O-N 3.08Å; Y279-F282 WeakPolarHBondContact O-CB 3.4Å; Y279-F282 PolarHBondContact O-N 2.75Å; Y279-L283 HydrophobicContact CD2-CD1 3.5Å; Y279-L283 HydrophobicContact CD2-CG 4.15Å; Y279-L283 HydrophobicContact CE2-CD1 3.82Å; Y279-L283 PolarHBondContact O-N 3.43Å |
| 280 | F | 83.7 | Confident | 83.6 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 11% | 0.114 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | -175.4 | 175 | -103.9 | 0 | 0 | 0 | 112.3 | L263 I274 K277 S278 F282 L283 F284 | L263-F280 HydrophobicContact CD1-CE2 4.2Å; L263-F280 HydrophobicContact CD2-CE2 4.42Å; L263-F280 HydrophobicContact CG-CE2 4.36Å; I274-F280 HydrophobicContact CB-CD2 4.14Å; I274-F280 HydrophobicContact CD1-CD2 3.9Å; I274-F280 HydrophobicContact CD1-CE2 3.58Å; I274-F280 HydrophobicContact CG1-CD2 3.89Å; I274-F280 HydrophobicContact CG1-CE2 3.86Å; I274-F280 WeakPolarHBondContact O-CB 3.13Å; K277-F280 VanDerWaalsContact O-CB 3.25Å; K277-F280 WeakPolarHBondContact O-CB 3.2Å; K277-F280 PolarHBondContact O-N 3.24Å; S278-F280 VanDerWaalsContact C-N 3.35Å; F280-F282 VanDerWaalsContact C-N 3.25Å; F280-F282 PolarHBondContact O-N 3.37Å; F280-L283 PolarHBondContact O-N 3.32Å; F280-L283 VanDerWaalsContact O-N 3.13Å; F280-F284 HydrophobicContact CZ-CB 4.49Å; F280-F284 HydrophobicContact CZ-CD2 4.37Å; F280-F284 WeakPolarHBondContact O-CB 3.46Å; F280-F284 PolarHBondContact O-N 2.93Å |
| 281 | V | 81.9 | Confident | 84.3 | Confident | 39 Ų | 39 | 47.6 Ų | 47.6 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -38.9 | 178.5 | 178 | 0 | 0 | 0 | 0 | 111.5 | M24 Y279 L285 | M24-V281 HydrophobicContact CE-CG1 4.23Å; Y279-V281 PolarHBondContact O-N 3.08Å; V281-L285 HydrophobicContact CG1-CD1 4Å; V281-L285 HydrophobicContact CG1-CG 4.5Å; V281-L285 WeakPolarHBondContact O-CB 3.24Å; V281-L285 WeakPolarHBondContact O-CG 3.47Å; V281-L285 PolarHBondContact O-N 2.87Å |
| 282 | F | 86.4 | Confident | 85.2 | Confident | 84 Ų | 84 | 43.3 Ų | 43.3 | 37% | 0.368 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.8 | -49.3 | 175.1 | 177 | -89 | 0 | 0 | 0 | 111.4 | M24 F34 Y279 F280 F284 L285 M286 | M24-F282 HydrophobicContact CG-CB 4.01Å; M24-F282 HydrophobicContact CG-CD2 4.18Å; M24-F282 HydrophobicContact SD-CB 4.25Å; M24-F282 HydrophobicContact SD-CD2 3.67Å; M24-F282 HydrophobicContact SD-CG 4.43Å; F34-F282 AromaticContact CE2-CD2 3.76Å; F34-F282 HydrophobicContact CE2-CD2 3.76Å; F34-F282 AromaticContact CE2-CE2 3.73Å; F34-F282 HydrophobicContact CE2-CE2 3.73Å; F34-F282 HydrophobicContact CZ-CD2 4.02Å; F34-F282 AromaticContact CZ-CE2 3.92Å; F34-F282 HydrophobicContact CZ-CE2 3.92Å; Y279-F282 WeakPolarHBondContact O-CB 3.4Å; Y279-F282 PolarHBondContact O-N 2.75Å; F280-F282 VanDerWaalsContact C-N 3.25Å; F280-F282 PolarHBondContact O-N 3.37Å; F282-F284 VanDerWaalsContact C-N 3.33Å; F282-F284 PolarHBondContact O-N 3.38Å; F282-L285 PolarHBondContact O-N 3.18Å; F282-M286 HydrophobicContact CE1-CE 4.41Å; F282-M286 HydrophobicContact CE2-CE 4.23Å; F282-M286 HydrophobicContact CZ-CE 3.74Å; F282-M286 VanDerWaalsContact O-CB 3.25Å; F282-M286 WeakPolarHBondContact O-CB 3.48Å; F282-M286 PolarHBondContact O-N 2.94Å |
| 283 | L | 88.9 | Confident | 86.4 | Confident | 79 Ų | 79 | 42.2 Ų | 42.2 | 41% | 0.414 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 178.2 | -69.3 | -179.2 | 0 | 0 | 0 | 112 | L263 Y279 F280 S287 | L263-L283 HydrophobicContact CD2-CB 4.45Å; Y279-L283 HydrophobicContact CD2-CD1 3.5Å; Y279-L283 HydrophobicContact CD2-CG 4.15Å; Y279-L283 HydrophobicContact CE2-CD1 3.82Å; Y279-L283 PolarHBondContact O-N 3.43Å; F280-L283 PolarHBondContact O-N 3.32Å; F280-L283 VanDerWaalsContact O-N 3.13Å; L283-S287 VanDerWaalsContact O-CB 3.29Å; L283-S287 WeakPolarHBondContact O-CB 3.26Å; L283-S287 PolarHBondContact O-N 3.45Å; L283-S287 PolarHBondContact O-OG 3.18Å |
| 284 | F | 90.1 | Very high | 87.3 | Confident | 42 Ų | 42 | 39.8 Ų | 39.8 | 18% | 0.184 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -52.6 | 176.4 | -178.7 | -91 | 0 | 0 | 0 | 111 | T88 F260 L263 F280 F282 M286 S287 H288 | T88-F284 HydrophobicContact CG2-CE1 3.78Å; T88-F284 HydrophobicContact CG2-CZ 4.32Å; F260-F284 HydrophobicContact CE2-CD2 4.11Å; F260-F284 AromaticContact CE2-CE2 3.55Å; F260-F284 HydrophobicContact CE2-CE2 3.55Å; F260-F284 AromaticContact CE2-CZ 3.82Å; F260-F284 HydrophobicContact CE2-CZ 3.82Å; F260-F284 HydrophobicContact CZ-CE2 4.08Å; F260-F284 HydrophobicContact CZ-CZ 4.21Å; L263-F284 HydrophobicContact CD2-CB 4.08Å; L263-F284 HydrophobicContact CD2-CD2 4.27Å; F280-F284 HydrophobicContact CZ-CB 4.49Å; F280-F284 HydrophobicContact CZ-CD2 4.37Å; F280-F284 WeakPolarHBondContact O-CB 3.46Å; F280-F284 PolarHBondContact O-N 2.93Å; F282-F284 VanDerWaalsContact C-N 3.33Å; F282-F284 PolarHBondContact O-N 3.38Å; F284-M286 VanDerWaalsContact C-N 3.32Å; F284-M286 PolarHBondContact O-N 2.9Å; F284-S287 PolarHBondContact O-N 2.95Å; F284-S287 PolarHBondContact O-OG 3.22Å; F284-H288 WeakPolarHBondContact O-CB 3.49Å; F284-H288 PolarHBondContact O-N 2.82Å |
| 285 | L | 91.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.7 | -31.9 | -178.6 | -73.3 | 177.4 | 0 | 0 | 0 | 112.9 | M24 F34 Y38 P89 Y93 V281 F282 L289 | M24-L285 HydrophobicContact CE-CB 3.99Å; M24-L285 HydrophobicContact CE-CD1 3.17Å; M24-L285 HydrophobicContact CE-CG 4.11Å; F34-L285 HydrophobicContact CD1-CB 4.38Å; F34-L285 HydrophobicContact CE1-CB 4.01Å; F34-L285 HydrophobicContact CZ-CB 4.34Å; Y38-L285 PolarHBondContact OH-O 3.38Å; P89-L285 HydrophobicContact CB-CD2 4.36Å; Y93-L285 HydrophobicContact CE1-CD1 4.45Å; V281-L285 HydrophobicContact CG1-CD1 4Å; V281-L285 HydrophobicContact CG1-CG 4.5Å; V281-L285 WeakPolarHBondContact O-CB 3.24Å; V281-L285 WeakPolarHBondContact O-CG 3.47Å; V281-L285 PolarHBondContact O-N 2.87Å; F282-L285 PolarHBondContact O-N 3.18Å; L285-L289 WeakPolarHBondContact O-CB 3.36Å; L285-L289 PolarHBondContact O-N 2.91Å |
| 286 | M | 92.8 | Very high | 89.3 | Confident | 59 Ų | 59 | 36.3 Ų | 36.3 | 29% | 0.291 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -70 | -49.7 | 174.2 | -172.1 | 62.2 | 77.9 | 0 | 0 | 111.9 | F34 F282 F284 H288 L289 I290 | F34-M286 HydrophobicContact CE1-CB 4.31Å; F34-M286 HydrophobicContact CE1-CE 4.15Å; F34-M286 HydrophobicContact CE1-SD 4.32Å; F34-M286 HydrophobicContact CZ-CB 4.18Å; F34-M286 HydrophobicContact CZ-CE 3.76Å; F34-M286 HydrophobicContact CZ-SD 4.44Å; F282-M286 HydrophobicContact CE1-CE 4.41Å; F282-M286 HydrophobicContact CE2-CE 4.23Å; F282-M286 HydrophobicContact CZ-CE 3.74Å; F282-M286 VanDerWaalsContact O-CB 3.25Å; F282-M286 WeakPolarHBondContact O-CB 3.48Å; F282-M286 PolarHBondContact O-N 2.94Å; F284-M286 VanDerWaalsContact C-N 3.32Å; F284-M286 PolarHBondContact O-N 2.9Å; M286-H288 VanDerWaalsContact C-N 3.34Å; M286-H288 PolarHBondContact O-N 2.89Å; M286-L289 PolarHBondContact O-N 3.48Å; M286-I290 HydrophobicContact CG-CD1 4.16Å; M286-I290 VanDerWaalsContact O-CG1 3.3Å; M286-I290 WeakPolarHBondContact O-CG1 3.26Å; M286-I290 PolarHBondContact O-N 3.47Å |
| 287 | S | 95.2 | Very high | 90.6 | Very high | 10 Ų | 10 | 39 Ų | 39 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 178 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | L263 L283 F284 I290 A291 | L263-S287 WeakPolarHBondContact CD2-OG 3.37Å; L283-S287 VanDerWaalsContact O-CB 3.29Å; L283-S287 WeakPolarHBondContact O-CB 3.26Å; L283-S287 PolarHBondContact O-N 3.45Å; L283-S287 PolarHBondContact O-OG 3.18Å; F284-S287 PolarHBondContact O-N 2.95Å; F284-S287 PolarHBondContact O-OG 3.22Å; S287-I290 PolarHBondContact O-N 3Å; S287-A291 WeakPolarHBondContact O-CB 3.39Å; S287-A291 PolarHBondContact O-N 3.47Å |
| 288 | H | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 173.2 | 179.7 | -92.8 | 0 | 0 | 0 | 112 | Y38 F260 F284 M286 I290 A291 M292 | Y38-H288 AromaticContact CE1-CE1 3.95Å; Y38-H288 AromaticContact CE1-ND1 3.53Å; Y38-H288 AromaticContact CZ-ND1 3.61Å; Y38-H288 PolarHBondContact OH-ND1 3.13Å; F260-H288 HydrophobicContact CD2-CB 3.87Å; F260-H288 HydrophobicContact CE2-CB 3.79Å; F260-H288 AromaticContact CE2-CD2 3.87Å; F260-H288 AromaticContact CZ-CD2 3.98Å; F284-H288 WeakPolarHBondContact O-CB 3.49Å; F284-H288 PolarHBondContact O-N 2.82Å; M286-H288 VanDerWaalsContact C-N 3.34Å; M286-H288 PolarHBondContact O-N 2.89Å; H288-I290 PolarHBondContact O-N 3.09Å; H288-A291 WeakPolarHBondContact O-CB 2.96Å; H288-A291 PolarHBondContact O-N 3Å; H288-M292 VanDerWaalsContact NE2-CE 3.25Å; H288-M292 WeakPolarHBondContact NE2-CE 3.44Å; H288-M292 WeakPolarHBondContact O-CB 3.27Å; H288-M292 VanDerWaalsContact O-CG 3.26Å; H288-M292 WeakPolarHBondContact O-CG 3.14Å; H288-M292 PolarHBondContact O-N 3.39Å |
| 289 | L | 96.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.068 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 176.1 | 177.2 | 68.9 | 0 | 0 | 0 | 111.5 | F34 L37 Y38 V41 L285 M286 A291 M292 S293 | F34-L289 HydrophobicContact CD1-CD2 4.19Å; F34-L289 HydrophobicContact CE1-CD2 4.28Å; L37-L289 HydrophobicContact CB-CD1 4.15Å; L37-L289 HydrophobicContact CB-CD2 3.66Å; L37-L289 HydrophobicContact CD1-CD2 3.71Å; L37-L289 HydrophobicContact CG-CD2 4.27Å; Y38-L289 HydrophobicContact CD1-CD1 3.89Å; Y38-L289 HydrophobicContact CD2-CD1 4.04Å; Y38-L289 HydrophobicContact CE1-CB 4.33Å; Y38-L289 HydrophobicContact CE1-CD1 3.97Å; Y38-L289 HydrophobicContact CE2-CB 4.12Å; Y38-L289 HydrophobicContact CE2-CD1 4.1Å; Y38-L289 HydrophobicContact CG-CD1 3.91Å; Y38-L289 PolarHBondContact OH-N 3.45Å; V41-L289 HydrophobicContact CG2-CD1 3.99Å; L285-L289 WeakPolarHBondContact O-CB 3.36Å; L285-L289 PolarHBondContact O-N 2.91Å; M286-L289 PolarHBondContact O-N 3.48Å; L289-A291 VanDerWaalsContact C-N 3.33Å; L289-A291 PolarHBondContact O-N 3.29Å; L289-M292 PolarHBondContact O-N 3.46Å; L289-S293 PolarHBondContact O-N 2.86Å |
| 290 | I | 97.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 30 Ų | 30 | 34% | 0.338 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 176.2 | -68 | 167.1 | 0 | 0 | 0 | 110.1 | C256 M286 S287 H288 S293 | C256-I290 HydrophobicContact CB-CG2 4.4Å; C256-I290 VanDerWaalsContact CB-O 3.29Å; C256-I290 WeakPolarHBondContact CB-O 3.3Å; C256-I290 PolarHBondContact SG-O 3.21Å; M286-I290 HydrophobicContact CG-CD1 4.16Å; M286-I290 VanDerWaalsContact O-CG1 3.3Å; M286-I290 WeakPolarHBondContact O-CG1 3.26Å; M286-I290 PolarHBondContact O-N 3.47Å; S287-I290 PolarHBondContact O-N 3Å; H288-I290 PolarHBondContact O-N 3.09Å; I290-S293 WeakPolarHBondContact O-CB 3.31Å; I290-S293 PolarHBondContact O-N 3.01Å; I290-S293 PolarHBondContact O-OG 3.46Å |
| 291 | A | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C256 W257 F260 S287 H288 L289 S293 A294 | C256-A291 WeakPolarHBondContact O-CA 3.34Å; C256-A291 PolarHBondContact O-N 3.38Å; W257-A291 HydrophobicContact CD2-CB 3.91Å; W257-A291 HydrophobicContact CE3-CB 3.67Å; W257-A291 HydrophobicContact CG-CB 4.47Å; W257-A291 HydrophobicContact CH2-CB 4.34Å; W257-A291 HydrophobicContact CZ3-CB 3.89Å; F260-A291 HydrophobicContact CB-CB 3.9Å; F260-A291 HydrophobicContact CG-CB 4.32Å; S287-A291 WeakPolarHBondContact O-CB 3.39Å; S287-A291 PolarHBondContact O-N 3.47Å; H288-A291 WeakPolarHBondContact O-CB 2.96Å; H288-A291 PolarHBondContact O-N 3Å; L289-A291 VanDerWaalsContact C-N 3.33Å; L289-A291 PolarHBondContact O-N 3.29Å; A291-S293 PolarHBondContact O-N 3.38Å; A291-A294 WeakPolarHBondContact O-CB 3.48Å; A291-A294 PolarHBondContact O-N 3.38Å; A291-A294 VanDerWaalsContact O-N 3.1Å |
| 292 | M | 95.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.7 | -25.7 | -179.5 | -66.2 | -65.3 | 154.9 | 0 | 0 | 113.2 | V41 V80 L85 Q111 W257 H288 L289 A294 S295 | V41-M292 HydrophobicContact CG1-CB 4.49Å; V80-M292 HydrophobicContact CG1-CE 4.07Å; V80-M292 HydrophobicContact CG1-SD 3.58Å; V80-M292 VanDerWaalsContact CG1-SD 3.58Å; L85-M292 HydrophobicContact CD2-CB 3.49Å; L85-M292 VanDerWaalsContact CD2-CB 3.49Å; L85-M292 HydrophobicContact CD2-CG 3.99Å; L85-M292 HydrophobicContact CG-CB 4.25Å; L85-M292 HydrophobicContact CG-CG 4.48Å; Q111-M292 HydrophobicContact CG-CE 4.3Å; W257-M292 HydrophobicContact CH2-CE 3.83Å; H288-M292 VanDerWaalsContact NE2-CE 3.25Å; H288-M292 WeakPolarHBondContact NE2-CE 3.44Å; H288-M292 WeakPolarHBondContact O-CB 3.27Å; H288-M292 VanDerWaalsContact O-CG 3.26Å; H288-M292 WeakPolarHBondContact O-CG 3.14Å; H288-M292 PolarHBondContact O-N 3.39Å; L289-M292 PolarHBondContact O-N 3.46Å; M292-A294 PolarHBondContact O-N 2.89Å; M292-S295 PolarHBondContact O-N 3.02Å |
| 293 | S | 96.7 | Very high | 94.5 | Very high | 20 Ų | 20 | 24.9 Ų | 24.9 | 14% | 0.14 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61 | -24.2 | 174.1 | 79.8 | 0 | 0 | 0 | 0 | 113.1 | L289 I290 A291 S295 G296 W297 | L289-S293 PolarHBondContact O-N 2.86Å; I290-S293 WeakPolarHBondContact O-CB 3.31Å; I290-S293 PolarHBondContact O-N 3.01Å; I290-S293 PolarHBondContact O-OG 3.46Å; A291-S293 PolarHBondContact O-N 3.38Å; S293-S295 VanDerWaalsContact C-N 3.26Å; S293-S295 PolarHBondContact O-N 2.93Å; S293-G296 PolarHBondContact O-N 2.91Å; S293-W297 PolarHBondContact O-N 3.23Å |
| 294 | A | 96.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.2 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F253 C256 A291 M292 G296 W297 | F253-A294 HydrophobicContact CD2-CB 4.42Å; C256-A294 HydrophobicContact CB-CB 3.75Å; A291-A294 WeakPolarHBondContact O-CB 3.48Å; A291-A294 PolarHBondContact O-N 3.38Å; A291-A294 VanDerWaalsContact O-N 3.1Å; M292-A294 PolarHBondContact O-N 2.89Å; A294-G296 PolarHBondContact O-N 3.42Å; A294-W297 PolarHBondContact O-N 3.2Å |
| 295 | S | 94.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.5 | -26.5 | -179.6 | -61.4 | 0 | 0 | 0 | 0 | 113 | N49 D77 M292 S293 | N49-S295 PolarHBondContact ND2-O 3.45Å; D77-S295 WeakPolarHBondContact OD1-CB 3.47Å; D77-S295 PolarHBondContact OD1-OG 3.36Å; M292-S295 PolarHBondContact O-N 3.02Å; S293-S295 VanDerWaalsContact C-N 3.26Å; S293-S295 PolarHBondContact O-N 2.93Å |
| 296 | G | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -81.7 | -28 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S293 A294 N298 | S293-G296 PolarHBondContact O-N 2.91Å; A294-G296 PolarHBondContact O-N 3.42Å; G296-N298 VanDerWaalsContact C-N 3.3Å; G296-N298 PolarHBondContact O-N 3.05Å |
| 297 | W | 96.4 | Very high | 94.5 | Very high | 104 Ų | 104 | 30.2 Ų | 30.2 | 39% | 0.394 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -68.9 | -27.8 | 180 | -71.5 | 111.3 | 0 | 0 | 0 | 113.1 | I252 S293 A294 V300 L301 | I252-W297 HydrophobicContact CD1-CB 4.47Å; I252-W297 HydrophobicContact CD1-CD2 4.46Å; I252-W297 HydrophobicContact CD1-CG 4.39Å; I252-W297 HydrophobicContact CG2-CB 3.85Å; I252-W297 VanDerWaalsContact CG2-CD1 3.48Å; I252-W297 HydrophobicContact CG2-CG 3.69Å; S293-W297 PolarHBondContact O-N 3.23Å; A294-W297 PolarHBondContact O-N 3.2Å; W297-V300 HydrophobicContact CE3-CB 4.45Å; W297-V300 HydrophobicContact CE3-CG1 4.33Å; W297-V300 HydrophobicContact CZ3-CG1 4.45Å; W297-V300 PolarHBondContact O-N 3.45Å; W297-L301 WeakPolarHBondContact O-CB 3.25Å; W297-L301 VanDerWaalsContact O-CG 3.27Å; W297-L301 WeakPolarHBondContact O-CG 3.46Å; W297-L301 PolarHBondContact O-N 2.73Å |
| 298 | N | 94.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 6% | 0.064 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.9 | -62 | -179.3 | -75.8 | -21.4 | 0 | 0 | 0 | 112.3 | D77 G296 V300 L301 Y302 | D77-N298 PolarHBondContact OD2-ND2 2.89Å; G296-N298 VanDerWaalsContact C-N 3.3Å; G296-N298 PolarHBondContact O-N 3.05Å; N298-V300 VanDerWaalsContact C-N 3.3Å; N298-V300 PolarHBondContact O-N 3.24Å; N298-L301 PolarHBondContact O-N 3.3Å; N298-Y302 HydrophobicContact CB-CE2 4.08Å; N298-Y302 WeakPolarHBondContact O-CD2 3.3Å; N298-Y302 WeakPolarHBondContact O-CE2 3.31Å; N298-Y302 VanDerWaalsContact O-CG 3.31Å; N298-Y302 PolarHBondContact O-N 2.73Å; N298-Y302 VanDerWaalsContact O-N 3.08Å |
| 299 | P | 95 | Very high | 93.9 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 7% | 0.065 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.3 | -40.9 | 173.8 | -27.7 | 33.1 | 0 | 0 | 0 | 114.7 | V52 L301 Y302 A303 | V52-P299 HydrophobicContact CG2-CB 4.32Å; V52-P299 HydrophobicContact CG2-CG 4.18Å; P299-L301 PolarHBondContact O-N 3.09Å; P299-Y302 PolarHBondContact O-N 2.88Å; P299-A303 WeakPolarHBondContact O-CB 3.31Å; P299-A303 PolarHBondContact O-N 3.44Å |
| 300 | V | 95.2 | Very high | 93.7 | Very high | 59 Ų | 59 | 33.9 Ų | 33.9 | 36% | 0.358 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.2 | -45.6 | -179.8 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | M44 W297 N298 Y302 A303 W304 | M44-V300 HydrophobicContact SD-CG2 4.24Å; W297-V300 HydrophobicContact CE3-CB 4.45Å; W297-V300 HydrophobicContact CE3-CG1 4.33Å; W297-V300 HydrophobicContact CZ3-CG1 4.45Å; W297-V300 PolarHBondContact O-N 3.45Å; N298-V300 VanDerWaalsContact C-N 3.3Å; N298-V300 PolarHBondContact O-N 3.24Å; V300-Y302 PolarHBondContact O-N 2.89Å; V300-A303 PolarHBondContact O-N 3.42Å; V300-W304 WeakPolarHBondContact O-CB 3.44Å; V300-W304 PolarHBondContact O-N 2.84Å |
| 301 | L | 95.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 177.3 | -70 | 177.1 | 0 | 0 | 0 | 111.9 | M245 L248 M249 I252 W297 N298 P299 W304 M305 | M245-L301 HydrophobicContact CG-CB 4.26Å; L248-L301 HydrophobicContact CD2-CD2 3.39Å; L248-L301 HydrophobicContact CG-CD1 4.33Å; L248-L301 HydrophobicContact CG-CD2 3.87Å; M249-L301 HydrophobicContact CB-CD1 4.14Å; M249-L301 HydrophobicContact CG-CB 4.39Å; M249-L301 HydrophobicContact CG-CD1 3.4Å; M249-L301 VanDerWaalsContact CG-CD1 3.4Å; I252-L301 HydrophobicContact CD1-CD1 4.21Å; W297-L301 WeakPolarHBondContact O-CB 3.25Å; W297-L301 VanDerWaalsContact O-CG 3.27Å; W297-L301 WeakPolarHBondContact O-CG 3.46Å; W297-L301 PolarHBondContact O-N 2.73Å; N298-L301 PolarHBondContact O-N 3.3Å; P299-L301 PolarHBondContact O-N 3.09Å; L301-W304 HydrophobicContact CD2-CE3 4.5Å; L301-W304 PolarHBondContact O-N 3.03Å; L301-M305 HydrophobicContact CD2-SD 4.31Å; L301-M305 WeakPolarHBondContact O-CB 3.45Å; L301-M305 PolarHBondContact O-N 3.32Å |
| 302 | Y | 93.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 174.4 | -56.5 | -41.2 | 0 | 0 | 0 | 111.6 | V52 I70 M245 M249 N298 P299 V300 W304 N306 | V52-Y302 HydrophobicContact CG2-CD2 3.84Å; V52-Y302 HydrophobicContact CG2-CE2 4.22Å; I70-Y302 HydrophobicContact CD1-CE1 3.9Å; I70-Y302 HydrophobicContact CG1-CE1 4.09Å; I70-Y302 HydrophobicContact CG2-CD2 4.25Å; I70-Y302 HydrophobicContact CG2-CE1 4.07Å; I70-Y302 HydrophobicContact CG2-CE2 3.55Å; I70-Y302 VanDerWaalsContact CG2-CZ 3.44Å; I70-Y302 WeakPolarHBondContact CG2-OH 3.26Å; M245-Y302 HydrophobicContact CE-CD1 4.01Å; M245-Y302 HydrophobicContact CE-CE1 4.18Å; M245-Y302 HydrophobicContact SD-CD1 3.98Å; M249-Y302 HydrophobicContact CE-CE1 3.75Å; M249-Y302 WeakPolarHBondContact CE-OH 3.42Å; M249-Y302 HydrophobicContact SD-CD1 4.49Å; M249-Y302 HydrophobicContact SD-CE1 3.61Å; N298-Y302 HydrophobicContact CB-CE2 4.08Å; N298-Y302 WeakPolarHBondContact O-CD2 3.3Å; N298-Y302 WeakPolarHBondContact O-CE2 3.31Å; N298-Y302 VanDerWaalsContact O-CG 3.31Å; N298-Y302 PolarHBondContact O-N 2.73Å; N298-Y302 VanDerWaalsContact O-N 3.08Å; P299-Y302 PolarHBondContact O-N 2.88Å; V300-Y302 PolarHBondContact O-N 2.89Å; Y302-W304 VanDerWaalsContact C-N 3.32Å; Y302-W304 PolarHBondContact O-N 3.3Å; Y302-N306 VanDerWaalsContact O-CB 3.3Å; Y302-N306 WeakPolarHBondContact O-CB 3.39Å; Y302-N306 PolarHBondContact O-N 3.34Å; Y302-N306 VanDerWaalsContact O-N 3.1Å |
| 303 | A | 93 | Very high | 93.1 | Very high | 36 Ų | 36 | 36 Ų | 36 | 30% | 0.298 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.3 | -36.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P299 V300 S310 Y313 | P299-A303 WeakPolarHBondContact O-CB 3.31Å; P299-A303 PolarHBondContact O-N 3.44Å; V300-A303 PolarHBondContact O-N 3.42Å; A303-S310 WeakPolarHBondContact O-CB 3.39Å; A303-S310 PolarHBondContact O-OG 2.99Å; A303-Y313 HydrophobicContact CB-CD2 3.55Å; A303-Y313 HydrophobicContact CB-CE2 3.56Å |
| 304 | W | 92.7 | Very high | 92.8 | Very high | 172 Ų | 172 | 43.2 Ų | 43.2 | 65% | 0.652 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -86.3 | -40.6 | -175.8 | -177.3 | 42.5 | 0 | 0 | 0 | 113.7 | R241 L248 V300 L301 Y302 | R241-W304 PolarHBondContact NH2-O 2.67Å; L248-W304 HydrophobicContact CD2-CZ3 4.33Å; V300-W304 WeakPolarHBondContact O-CB 3.44Å; V300-W304 PolarHBondContact O-N 2.84Å; L301-W304 HydrophobicContact CD2-CE3 4.5Å; L301-W304 PolarHBondContact O-N 3.03Å; Y302-W304 VanDerWaalsContact C-N 3.32Å; Y302-W304 PolarHBondContact O-N 3.3Å |
| 305 | M | 92.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -112.1 | -15.6 | -168.2 | -57.7 | -174.7 | 73 | 0 | 0 | 114.5 | R241 K244 M245 L248 L301 | R241-M305 PolarHBondContact NE-O 3.42Å; K244-M305 HydrophobicContact CB-CE 3.89Å; M245-M305 HydrophobicContact CB-CB 3.71Å; M245-M305 HydrophobicContact CB-CE 3.98Å; M245-M305 HydrophobicContact CB-CG 4.39Å; M245-M305 HydrophobicContact CB-SD 3.84Å; M245-M305 HydrophobicContact CG-CB 3.73Å; M245-M305 HydrophobicContact CG-CG 4.44Å; M245-M305 HydrophobicContact CG-SD 4.14Å; M245-M305 HydrophobicContact SD-CB 3.97Å; L248-M305 HydrophobicContact CD2-SD 4Å; L301-M305 HydrophobicContact CD2-SD 4.31Å; L301-M305 WeakPolarHBondContact O-CB 3.45Å; L301-M305 PolarHBondContact O-N 3.32Å |
| 306 | N | 89.7 | Confident | 92.3 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | trans | -105 | 101.4 | 177.5 | -170.4 | -26.3 | 0 | 0 | 0 | 111.1 | L242 M245 Y302 N308 F309 S310 | L242-N306 HydrophobicContact CD2-CB 4.33Å; M245-N306 HydrophobicContact CE-CB 4.46Å; M245-N306 HydrophobicContact SD-CB 3.78Å; Y302-N306 VanDerWaalsContact O-CB 3.3Å; Y302-N306 WeakPolarHBondContact O-CB 3.39Å; Y302-N306 PolarHBondContact O-N 3.34Å; Y302-N306 VanDerWaalsContact O-N 3.1Å; N306-N308 PolarHBondContact O-N 2.84Å; N306-N308 VanDerWaalsContact O-N 3.17Å; N306-N308 PolarHBondContact OD1-N 3.37Å; N306-F309 HydrophobicContact CB-CB 4.16Å; N306-F309 HydrophobicContact CB-CD2 4.28Å; N306-F309 WeakPolarHBondContact ND2-CD2 3.44Å; N306-F309 PolarHBondContact O-N 3.32Å; N306-F309 VanDerWaalsContact O-N 3.08Å; N306-S310 WeakPolarHBondContact O-CB 3.49Å; N306-S310 PolarHBondContact O-N 3.35Å | ||
| 307 | E | 88.7 | Confident | 92 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 40% | 0.402 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.3 | -34.6 | -176.5 | -70.5 | 169 | -165.7 | 0 | 0 | 113.5 | R241 R311 | R241-E307 IonicContact CZ-OE1 2.82Å; R241-E307 IonicContact NH1-OE1 3.89Å; R241-E307 PolarHBondContact NH1-OE1 3.38Å; E307-R311 WeakPolarHBondContact O-CB 3.24Å; E307-R311 PolarHBondContact O-N 2.69Å; E307-R311 VanDerWaalsContact O-N 3.12Å |
| 308 | N | 88.4 | Confident | 91.6 | Very high | 81 Ų | 81 | 46.5 Ų | 46.5 | 43% | 0.433 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.4 | -42 | 178.5 | -74.7 | -37.6 | 0 | 0 | 0 | 111.8 | R61 L62 N306 E312 | R61-N308 PolarHBondContact NH2-O 3.09Å; L62-N308 HydrophobicContact CD2-CB 4.13Å; N306-N308 PolarHBondContact O-N 2.84Å; N306-N308 VanDerWaalsContact O-N 3.17Å; N306-N308 PolarHBondContact OD1-N 3.37Å; N308-E312 PolarHBondContact O-N 3.44Å |
| 309 | F | 89.7 | Confident | 91.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.4 | -43 | 176.7 | -85.5 | -98.5 | 0 | 0 | 0 | 111.5 | V52 I56 I70 N306 R311 E312 Y313 | V52-F309 HydrophobicContact CG1-CE1 4.34Å; I56-F309 HydrophobicContact CD1-CE1 3.97Å; I56-F309 HydrophobicContact CD1-CZ 3.78Å; I56-F309 HydrophobicContact CG1-CE1 3.87Å; I56-F309 HydrophobicContact CG1-CZ 3.78Å; I70-F309 HydrophobicContact CG2-CZ 4.24Å; N306-F309 HydrophobicContact CB-CB 4.16Å; N306-F309 HydrophobicContact CB-CD2 4.28Å; N306-F309 WeakPolarHBondContact ND2-CD2 3.44Å; N306-F309 PolarHBondContact O-N 3.32Å; N306-F309 VanDerWaalsContact O-N 3.08Å; F309-R311 PolarHBondContact O-N 3.31Å; F309-E312 PolarHBondContact O-N 3.5Å; F309-E312 VanDerWaalsContact O-N 3.08Å; F309-Y313 HydrophobicContact CB-CD2 4.41Å; F309-Y313 HydrophobicContact CB-CE2 4.16Å; F309-Y313 VanDerWaalsContact O-CD2 3.32Å; F309-Y313 WeakPolarHBondContact O-CD2 3.45Å; F309-Y313 PolarHBondContact O-N 3.3Å |
| 310 | S | 91.4 | Very high | 90.6 | Very high | 20 Ų | 20 | 52.5 Ų | 52.5 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.8 | -41.6 | 176.9 | -161.9 | 0 | 0 | 0 | 0 | 111.9 | A303 N306 R314 | A303-S310 WeakPolarHBondContact O-CB 3.39Å; A303-S310 PolarHBondContact O-OG 2.99Å; N306-S310 WeakPolarHBondContact O-CB 3.49Å; N306-S310 PolarHBondContact O-N 3.35Å; S310-R314 WeakPolarHBondContact O-CG 3.47Å; S310-R314 PolarHBondContact O-N 2.95Å |
| 311 | R | 92.5 | Very high | 89.9 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 35% | 0.347 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 174.9 | -171.2 | -173.2 | -57.7 | -130.3 | 2.9 | 112.4 | E307 F309 R314 Y315 D353 | E307-R311 WeakPolarHBondContact O-CB 3.24Å; E307-R311 PolarHBondContact O-N 2.69Å; E307-R311 VanDerWaalsContact O-N 3.12Å; F309-R311 PolarHBondContact O-N 3.31Å; R311-R314 PolarHBondContact O-N 3.47Å; R311-Y315 WeakPolarHBondContact O-CB 3.46Å; R311-Y315 PolarHBondContact O-N 3.11Å; R311-D353 WeakPolarHBondContact CD-OD1 3.04Å; R311-D353 IonicContact CZ-OD1 3.78Å; R311-D353 IonicContact CZ-OD2 3.57Å; R311-D353 IonicContact NE-OD1 2.61Å; R311-D353 IonicContact NH1-OD1 2.89Å; R311-D353 PolarHBondContact NH1-OD1 2.87Å; R311-D353 IonicContact NH1-OD2 2.74Å; R311-D353 PolarHBondContact NH1-OD2 3.21Å |
| 312 | E | 92.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.023 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 177.8 | -69.5 | -60.2 | 147.4 | 0 | 0 | 112 | I55 R59 R61 L62 N308 F309 R314 Y315 T316 | I55-E312 HydrophobicContact CD1-CB 4.05Å; I55-E312 HydrophobicContact CG1-CB 4.38Å; I55-E312 HydrophobicContact CG2-CB 3.7Å; I55-E312 HydrophobicContact CG2-CG 4.03Å; R59-E312 VanDerWaalsContact CD-OE2 3.3Å; R59-E312 WeakPolarHBondContact CD-OE2 3.49Å; R59-E312 HydrophobicContact CG-CG 4.41Å; R59-E312 WeakPolarHBondContact CG-OE2 3.28Å; R59-E312 IonicContact NE-OE2 3.11Å; R59-E312 PolarHBondContact NE-OE2 3.37Å; R61-E312 IonicContact CZ-OE1 3.96Å; R61-E312 IonicContact NE-OE1 2.78Å; R61-E312 PolarHBondContact NE-OE1 2.89Å; R61-E312 IonicContact NH2-OE1 2.84Å; R61-E312 PolarHBondContact NH2-OE1 2.85Å; L62-E312 HydrophobicContact CD1-CG 3.92Å; N308-E312 PolarHBondContact O-N 3.44Å; F309-E312 PolarHBondContact O-N 3.5Å; F309-E312 VanDerWaalsContact O-N 3.08Å; E312-R314 PolarHBondContact O-N 3.28Å; E312-Y315 PolarHBondContact O-N 3.35Å; E312-T316 WeakPolarHBondContact O-CB 3.49Å; E312-T316 PolarHBondContact O-N 2.71Å; E312-T316 PolarHBondContact O-OG1 3.15Å; E312-T316 VanDerWaalsContact O-OG1 3.06Å |
| 313 | Y | 91.5 | Very high | 87.3 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 5% | 0.051 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57 | -50.6 | 172.9 | -73.6 | -45.1 | 0 | 0 | 0 | 111.1 | L51 V52 I55 A303 F309 Y315 T316 F317 | L51-Y313 HydrophobicContact CB-CE1 4.26Å; L51-Y313 HydrophobicContact CD2-CD1 3.37Å; L51-Y313 HydrophobicContact CD2-CE1 3.47Å; L51-Y313 VanDerWaalsContact CD2-CE1 3.47Å; L51-Y313 HydrophobicContact CG-CD1 3.76Å; L51-Y313 HydrophobicContact CG-CE1 3.58Å; V52-Y313 WeakPolarHBondContact CG2-OH 3.49Å; I55-Y313 HydrophobicContact CD1-CD1 3.27Å; I55-Y313 HydrophobicContact CD1-CE1 3.51Å; I55-Y313 HydrophobicContact CD1-CG 4.13Å; A303-Y313 HydrophobicContact CB-CD2 3.55Å; A303-Y313 HydrophobicContact CB-CE2 3.56Å; F309-Y313 HydrophobicContact CB-CD2 4.41Å; F309-Y313 HydrophobicContact CB-CE2 4.16Å; F309-Y313 VanDerWaalsContact O-CD2 3.32Å; F309-Y313 WeakPolarHBondContact O-CD2 3.45Å; F309-Y313 PolarHBondContact O-N 3.3Å; Y313-Y315 VanDerWaalsContact C-N 3.3Å; Y313-Y315 PolarHBondContact O-N 2.76Å; Y313-T316 PolarHBondContact O-N 3.44Å; Y313-F317 WeakPolarHBondContact O-CB 3.02Å; Y313-F317 WeakPolarHBondContact O-CD2 3.45Å; Y313-F317 PolarHBondContact O-N 2.99Å |
| 314 | R | 91.5 | Very high | 85.5 | Confident | 173 Ų | 173 | 72.3 Ų | 72.3 | 65% | 0.653 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 177.8 | -71 | 175.9 | -163.5 | 171.6 | 2.4 | 112.2 | S310 R311 E312 S318 | S310-R314 WeakPolarHBondContact O-CG 3.47Å; S310-R314 PolarHBondContact O-N 2.95Å; R311-R314 PolarHBondContact O-N 3.47Å; E312-R314 PolarHBondContact O-N 3.28Å; R314-S318 VanDerWaalsContact O-CB 3.29Å; R314-S318 WeakPolarHBondContact O-CB 3.42Å; R314-S318 PolarHBondContact O-N 3.41Å; R314-S318 PolarHBondContact O-OG 2.95Å |
| 315 | Y | 90.3 | Very high | 83.6 | Confident | 17 Ų | 17 | 75 Ų | 75 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.9 | -52.3 | 176.8 | 179.3 | -99.9 | 0 | 0 | 0 | 111.3 | R311 E312 Y313 F317 S318 C319 R356 C360 | R311-Y315 WeakPolarHBondContact O-CB 3.46Å; R311-Y315 PolarHBondContact O-N 3.11Å; E312-Y315 PolarHBondContact O-N 3.35Å; Y313-Y315 VanDerWaalsContact C-N 3.3Å; Y313-Y315 PolarHBondContact O-N 2.76Å; Y315-F317 PolarHBondContact O-N 3.27Å; Y315-S318 WeakPolarHBondContact O-CB 3.11Å; Y315-S318 PolarHBondContact O-N 2.97Å; Y315-S318 VanDerWaalsContact O-N 3.15Å; Y315-C319 VanDerWaalsContact CZ-SG 3.59Å; Y315-C319 PolarHBondContact O-N 3.47Å; Y315-C319 PolarHBondContact O-SG 3.4Å; Y315-R356 HydrophobicContact CE2-CB 4.26Å; Y315-R356 HydrophobicContact CE2-CG 4.39Å; Y315-R356 WeakPolarHBondContact CE2-O 3.04Å; Y315-C360 WeakPolarHBondContact OH-CA 3.23Å |
| 316 | T | 89.8 | Confident | 81.4 | Confident | 11 Ų | 11 | 84.5 Ų | 84.5 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 179.5 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | L51 Y54 E312 Y313 S318 C319 L320 | L51-T316 HydrophobicContact CD1-CG2 3.83Å; Y54-T316 HydrophobicContact CD1-CG2 4.47Å; Y54-T316 HydrophobicContact CE1-CG2 3.98Å; E312-T316 WeakPolarHBondContact O-CB 3.49Å; E312-T316 PolarHBondContact O-N 2.71Å; E312-T316 PolarHBondContact O-OG1 3.15Å; E312-T316 VanDerWaalsContact O-OG1 3.06Å; Y313-T316 PolarHBondContact O-N 3.44Å; T316-S318 VanDerWaalsContact C-N 3.33Å; T316-S318 PolarHBondContact O-N 2.74Å; T316-C319 PolarHBondContact O-N 3.21Å; T316-L320 HydrophobicContact CG2-CD1 4.08Å; T316-L320 VanDerWaalsContact O-CG 3.3Å; T316-L320 WeakPolarHBondContact O-CG 3.29Å; T316-L320 PolarHBondContact O-N 2.92Å |
| 317 | F | 89.4 | Confident | 79 | Confident | 112 Ų | 112 | 89.1 Ų | 89.1 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 175.7 | -74.7 | -60.4 | 0 | 0 | 0 | 112.4 | L51 Y313 Y315 L320 C321 | L51-F317 HydrophobicContact CD2-CE1 4.4Å; L51-F317 HydrophobicContact CD2-CE2 3.88Å; L51-F317 HydrophobicContact CD2-CZ 3.61Å; Y313-F317 WeakPolarHBondContact O-CB 3.02Å; Y313-F317 WeakPolarHBondContact O-CD2 3.45Å; Y313-F317 PolarHBondContact O-N 2.99Å; Y315-F317 PolarHBondContact O-N 3.27Å; F317-L320 HydrophobicContact CD1-CD1 4.49Å; F317-L320 PolarHBondContact O-N 3.17Å; F317-C321 WeakPolarHBondContact O-CB 3.49Å; F317-C321 PolarHBondContact O-N 3.34Å; F317-C321 PolarHBondContact O-SG 3.39Å |
| 318 | S | 87.5 | Confident | 76.8 | Confident | 37 Ų | 37 | 96 Ų | 96 | 26% | 0.259 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 176.7 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | R314 Y315 T316 C321 R322 | R314-S318 VanDerWaalsContact O-CB 3.29Å; R314-S318 WeakPolarHBondContact O-CB 3.42Å; R314-S318 PolarHBondContact O-N 3.41Å; R314-S318 PolarHBondContact O-OG 2.95Å; Y315-S318 WeakPolarHBondContact O-CB 3.11Å; Y315-S318 PolarHBondContact O-N 2.97Å; Y315-S318 VanDerWaalsContact O-N 3.15Å; T316-S318 VanDerWaalsContact C-N 3.33Å; T316-S318 PolarHBondContact O-N 2.74Å; S318-C321 PolarHBondContact O-N 3.16Å; S318-R322 WeakPolarHBondContact O-CB 3.03Å; S318-R322 WeakPolarHBondContact O-CG 3.44Å; S318-R322 PolarHBondContact O-N 3.02Å |
| 319 | C | 83.7 | Confident | 74.7 | Confident | 30 Ų | 30 | 97.5 Ų | 97.5 | 20% | 0.203 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 175.5 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | Y315 T316 C321 R322 G323 C360 | Y315-C319 VanDerWaalsContact CZ-SG 3.59Å; Y315-C319 PolarHBondContact O-N 3.47Å; Y315-C319 PolarHBondContact O-SG 3.4Å; T316-C319 PolarHBondContact O-N 3.21Å; C319-C321 VanDerWaalsContact C-N 3.34Å; C319-C321 PolarHBondContact O-N 3.23Å; C319-R322 PolarHBondContact O-N 2.96Å; C319-G323 PolarHBondContact O-N 2.79Å; C319-C360 HydrophobicContact CB-CB 3.96Å; C319-C360 WeakPolarHBondContact CB-SG 3.28Å; C319-C360 WeakPolarHBondContact SG-CB 3.42Å; C319-C360 CovalentContact SG-SG 2.06Å; C319-C360 PolarHBondContact SG-SG 2.84Å |
| 320 | L | 83.6 | Confident | 72.3 | Confident | 118 Ų | 118 | 102.7 Ų | 102.7 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62 | -37.7 | 176.1 | -72.4 | 170.1 | 0 | 0 | 0 | 112.8 | T316 F317 | T316-L320 HydrophobicContact CG2-CD1 4.08Å; T316-L320 VanDerWaalsContact O-CG 3.3Å; T316-L320 WeakPolarHBondContact O-CG 3.29Å; T316-L320 PolarHBondContact O-N 2.92Å; F317-L320 HydrophobicContact CD1-CD1 4.49Å; F317-L320 PolarHBondContact O-N 3.17Å |
| 321 | C | 81.1 | Confident | 69.6 | Low | 101 Ų | 101 | 110.6 Ų | 110.6 | 68% | 0.682 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.8 | -34.9 | 175.8 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | F317 S318 C319 | F317-C321 WeakPolarHBondContact O-CB 3.49Å; F317-C321 PolarHBondContact O-N 3.34Å; F317-C321 PolarHBondContact O-SG 3.39Å; S318-C321 PolarHBondContact O-N 3.16Å; C319-C321 VanDerWaalsContact C-N 3.34Å; C319-C321 PolarHBondContact O-N 3.23Å |
| 322 | R | 75.6 | Confident | 67.2 | Low | 146 Ų | 146 | 111.5 Ų | 111.5 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -79.3 | -26.8 | -179.2 | -74.9 | -178.9 | 173.1 | -175.2 | -1.5 | 113.6 | S318 C319 K324 R325 L357 | S318-R322 WeakPolarHBondContact O-CB 3.03Å; S318-R322 WeakPolarHBondContact O-CG 3.44Å; S318-R322 PolarHBondContact O-N 3.02Å; C319-R322 PolarHBondContact O-N 2.96Å; R322-K324 PolarHBondContact O-N 2.88Å; R322-R325 PolarHBondContact O-N 3.39Å; R322-L357 PolarHBondContact NH1-O 3.45Å |
| 323 | G | 59.1 | Low | 64.7 | Low | 70 Ų | 70 | 117 Ų | 117 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -5.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | C319 | C319-G323 PolarHBondContact O-N 2.79Š|
| 324 | K | 54.3 | Low | 62 | Low | 200 Ų | 200 | 125 Ų | 125 | 87% | 0.87 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -2 | 174 | -80.2 | -175.8 | 176.3 | -179.7 | 0 | 115.4 | R322 | R322-K324 PolarHBondContact O-N 2.88Š|
| 325 | R | 52.9 | Low | 59.5 | Low | 229 Ų | 229 | 123.8 Ų | 123.8 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | trans | -105.9 | 9.6 | -169.9 | -94.8 | -173.8 | -178 | 165.9 | 1.6 | 117.7 | R322 | R322-R325 PolarHBondContact O-N 3.39Š| ||
| 326 | R | 45.7 | Very low | 57 | Low | 220 Ų | 220 | 127.9 Ų | 127.9 | 83% | 0.83 | 69% | 0.686 | S | S | * | * | trans | -104.5 | 88.3 | 177.6 | -96.2 | 177.1 | 165.5 | 160.6 | -6.3 | 112.4 | D361 | R326-D361 IonicContact NH1-OD2 3.38Å; R326-D361 PolarHBondContact NH1-OD2 2.81Å | ||
| 327 | S | 40.6 | Very low | 54.6 | Low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -135.8 | 130.8 | 153.5 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 328 | R | 41.8 | Very low | 52 | Low | 232 Ų | 232 | 134.2 Ų | 134.2 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | trans | 89.8 | 113.2 | 178.7 | -73.2 | 178.7 | 157.1 | 161.6 | -5.4 | 119.4 | ||||
| 329 | S | 43.4 | Very low | 49.5 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 65.7 | 138.6 | 136 | 78 | 0 | 0 | 0 | 0 | 118 | ||||
| 330 | S | 39.2 | Very low | 47.1 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | cis | 177.6 | 129.7 | 1.2 | 30.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 331 | H | 36.5 | Very low | 44.9 | Very low | 187 Ų | 187 | 150.9 Ų | 150.9 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -60.5 | -179.2 | 166 | -82.7 | -73.1 | 0 | 0 | 0 | 111.5 | ||||
| 332 | P | 42.3 | Very low | 42.8 | Very low | 111 Ų | 111 | 153.1 Ų | 153.1 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | -137.6 | 178.5 | -52 | 39.1 | -22.1 | 0 | 0 | 0 | 111.6 | |||||
| 333 | S | 38.5 | Very low | 40.8 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | -173 | 127.2 | 140.5 | 33.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 334 | M | 35.2 | Very low | 39.9 | Very low | 180 Ų | 180 | 160.7 Ų | 160.7 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -83.8 | 137.5 | 176.6 | -68.1 | 168 | 62.2 | 0 | 0 | 110.3 | ||||
| 335 | T | 39.6 | Very low | 39 | Very low | 149 Ų | 149 | 154.1 Ų | 154.1 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | trans | -131.1 | 111.4 | 148.7 | 10.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 336 | A | 37.4 | Very low | 38.1 | Very low | 102 Ų | 102 | 151.4 Ų | 151.4 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -82.2 | 126.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 337 | G | 39.1 | Very low | 37.5 | Very low | 62 Ų | 62 | 151.8 Ų | 151.8 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | trans | -171.6 | 102.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 338 | Q | 35.6 | Very low | 37.3 | Very low | 194 Ų | 194 | 154.8 Ų | 154.8 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | 75.8 | 85 | 163.4 | -71.6 | 139.3 | -54.1 | 0 | 0 | 117.8 | ||||
| 339 | Y | 34 | Very low | 36.8 | Very low | 219 Ų | 219 | 148.5 Ų | 148.5 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | -72 | 115.5 | 142.5 | -83.8 | -99.5 | 0 | 0 | 0 | 109.2 | V341 | Y339-V341 HydrophobicContact CD1-CG2 3.86Š| ||
| 340 | E | 34.1 | Very low | 36.5 | Very low | 197 Ų | 197 | 149.3 Ų | 149.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -142.1 | 104.3 | 144.5 | -151.9 | 163.4 | 177.3 | 0 | 0 | 106.5 | ||||
| 341 | V | 37.7 | Very low | 36.6 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -97.8 | 101.1 | -165.1 | 173 | 0 | 0 | 0 | 0 | 107.9 | Y339 | Y339-V341 HydrophobicContact CD1-CG2 3.86Š| ||
| 342 | D | 35.4 | Very low | 37.3 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -108.6 | 142.7 | 175.7 | -148 | 0.5 | 0 | 0 | 0 | 113.4 | T344 | D342-T344 PolarHBondContact O-N 2.89Š| ||
| 343 | R | 33.4 | Very low | 37.9 | Very low | 231 Ų | 231 | 140.7 Ų | 140.7 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -80.3 | 92.6 | -155.6 | -71.7 | 164.1 | 167.1 | 150.8 | -3.7 | 112.2 | ||
| 344 | T | 41.1 | Very low | 38.4 | Very low | 143 Ų | 143 | 139 Ų | 139 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | trans | -151.8 | 92.7 | 154.7 | 32.6 | 0 | 0 | 0 | 0 | 107.7 | D342 | D342-T344 PolarHBondContact O-N 2.89Š| ||
| 345 | G | 35 | Very low | 39.3 | Very low | 63 Ų | 63 | 136.9 Ų | 136.9 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | trans | -138.6 | 91.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R347 | G345-R347 PolarHBondContact O-N 2.83Š| ||
| 346 | D | 35.2 | Very low | 39.9 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 92% | 0.92 | 70% | 0.698 | S | S | * | * | trans | -49.9 | 85.3 | 146.4 | -91.1 | -31.9 | 0 | 0 | 0 | 108.1 | L348 | D346-L348 VanDerWaalsContact C-N 3.29Å; D346-L348 PolarHBondContact O-N 2.8Å | ||
| 347 | R | 31.6 | Very low | 40.8 | Very low | 228 Ų | 228 | 130.3 Ų | 130.3 | 86% | 0.86 | 67% | 0.667 | S | S | * | * | trans | -75.4 | 93.3 | 165.2 | -93.7 | -174.3 | -94.5 | -152.2 | -6.1 | 106 | G345 S349 | G345-R347 PolarHBondContact O-N 2.83Å; R347-S349 PolarHBondContact O-N 3.31Å | ||
| 348 | L | 36.4 | Very low | 41.4 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 90% | 0.901 | 66% | 0.663 | S | S | * | * | trans | -44.5 | 95.6 | 138.8 | -93.5 | 139.6 | 0 | 0 | 0 | 105.9 | D346 E350 | D346-L348 VanDerWaalsContact C-N 3.29Å; D346-L348 PolarHBondContact O-N 2.8Å; L348-E350 VanDerWaalsContact C-N 3.34Å; L348-E350 PolarHBondContact O-N 3.26Å | ||
| 349 | S | 32.1 | Very low | 42.3 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | trans | -61.9 | 100.3 | 179.2 | 47.9 | 0 | 0 | 0 | 0 | 106.6 | R347 H351 | R347-S349 PolarHBondContact O-N 3.31Å; S349-H351 PolarHBondContact O-N 3.2Å | ||
| 350 | E | 37.2 | Very low | 43.5 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 59% | 0.593 | 61% | 0.61 | S | S | * | * | trans | -45.7 | 112.1 | 163.8 | -120.8 | 176.8 | 143.4 | 0 | 0 | 105.5 | L348 K358 | L348-E350 VanDerWaalsContact C-N 3.34Å; L348-E350 PolarHBondContact O-N 3.26Å; E350-K358 IonicContact OE1-NZ 2.79Å; E350-K358 PolarHBondContact OE1-NZ 2.75Å | ||
| 351 | H | 41.5 | Very low | 44.3 | Very low | 111 Ų | 111 | 115.5 Ų | 115.5 | 51% | 0.514 | 60% | 0.597 | S | S | . | * | trans | -59.4 | 136 | -173.7 | -150 | -86.3 | 0 | 0 | 0 | 106.4 | S349 D353 D354 | S349-H351 PolarHBondContact O-N 3.2Å; H351-D353 IonicContact CE1-OD2 3.18Å; H351-D353 PolarHBondContact CE1-OD2 3.36Å; H351-D353 IonicContact ND1-OD2 3.26Å; H351-D353 PolarHBondContact ND1-OD2 2.76Å; H351-D353 PolarHBondContact O-N 3.3Å; H351-D354 PolarHBondContact O-N 3.47Å | ||
| 352 | P | 52.1 | Low | 44.8 | Very low | 76 Ų | 76 | 113.7 Ų | 113.7 | 49% | 0.494 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.4 | 2.8 | -178 | 21.9 | -32.9 | 0 | 0 | 0 | 114.5 | R356 | P352-R356 PolarHBondContact O-NE 3.4Š|
| 353 | D | 54.3 | Low | 45.6 | Very low | 39 Ų | 39 | 109.4 Ų | 109.4 | 21% | 0.209 | 56% | 0.561 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | -32.4 | 169.9 | -59.7 | -44.3 | 0 | 0 | 0 | 111.8 | R311 H351 R356 L357 | R311-D353 WeakPolarHBondContact CD-OD1 3.04Å; R311-D353 IonicContact CZ-OD1 3.78Å; R311-D353 IonicContact CZ-OD2 3.57Å; R311-D353 IonicContact NE-OD1 2.61Å; R311-D353 IonicContact NH1-OD1 2.89Å; R311-D353 PolarHBondContact NH1-OD1 2.87Å; R311-D353 IonicContact NH1-OD2 2.74Å; R311-D353 PolarHBondContact NH1-OD2 3.21Å; H351-D353 IonicContact CE1-OD2 3.18Å; H351-D353 PolarHBondContact CE1-OD2 3.36Å; H351-D353 IonicContact ND1-OD2 3.26Å; H351-D353 PolarHBondContact ND1-OD2 2.76Å; H351-D353 PolarHBondContact O-N 3.3Å; D353-R356 PolarHBondContact O-N 3.07Å; D353-L357 WeakPolarHBondContact O-CD1 3.29Å; D353-L357 PolarHBondContact O-N 2.03Å |
| 354 | D | 48.8 | Very low | 46.5 | Very low | 84 Ų | 84 | 102 Ų | 102 | 45% | 0.449 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.2 | -39.6 | 178.9 | -103.7 | -26 | 0 | 0 | 0 | 112.7 | H351 R356 L357 K358 | H351-D354 PolarHBondContact O-N 3.47Å; D354-R356 VanDerWaalsContact C-N 3.31Å; D354-R356 PolarHBondContact O-N 2.89Å; D354-L357 PolarHBondContact O-N 3.24Å; D354-K358 PolarHBondContact O-N 3.32Å |
| 355 | E | 52.8 | Low | 46.8 | Very low | 136 Ų | 136 | 102.7 Ų | 102.7 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | 176.1 | -144.9 | -176.2 | 179.7 | 0 | 0 | 111.2 | K358 | E355-K358 PolarHBondContact O-N 3.5Å |
| 356 | R | 54.2 | Low | 47.3 | Very low | 79 Ų | 79 | 107.6 Ų | 107.6 | 30% | 0.298 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 176 | -129.3 | 179.1 | -65.6 | -136.7 | -5.6 | 111.5 | Y315 P352 D353 D354 K358 N359 E363 | Y315-R356 HydrophobicContact CE2-CB 4.26Å; Y315-R356 HydrophobicContact CE2-CG 4.39Å; Y315-R356 WeakPolarHBondContact CE2-O 3.04Å; P352-R356 PolarHBondContact O-NE 3.4Å; D353-R356 PolarHBondContact O-N 3.07Å; D354-R356 VanDerWaalsContact C-N 3.31Å; D354-R356 PolarHBondContact O-N 2.89Å; R356-K358 PolarHBondContact O-N 3.14Å; R356-N359 PolarHBondContact O-N 3.44Å; R356-E363 VanDerWaalsContact CG-OE2 3.32Å; R356-E363 WeakPolarHBondContact CG-OE2 3.23Å |
| 357 | L | 56.2 | Low | 47.9 | Very low | 34 Ų | 34 | 104.2 Ų | 104.2 | 18% | 0.178 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -61.3 | -20.7 | 176.8 | -101.4 | 115.6 | 0 | 0 | 0 | 114 | R322 D353 D354 | R322-L357 PolarHBondContact NH1-O 3.45Å; D353-L357 WeakPolarHBondContact O-CD1 3.29Å; D353-L357 PolarHBondContact O-N 2.03Å; D354-L357 PolarHBondContact O-N 3.24Å |
| 358 | K | 50.9 | Low | 48.8 | Very low | 131 Ų | 131 | 96.7 Ų | 96.7 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -78.2 | -24.7 | 173.3 | -71.5 | 171.6 | -177.3 | 164.3 | 0 | 112.4 | E350 D354 E355 R356 | E350-K358 IonicContact OE1-NZ 2.79Å; E350-K358 PolarHBondContact OE1-NZ 2.75Å; D354-K358 PolarHBondContact O-N 3.32Å; E355-K358 PolarHBondContact O-N 3.5Å; R356-K358 PolarHBondContact O-N 3.14Å |
| 359 | N | 55.5 | Low | 49.2 | Very low | 76 Ų | 76 | 94 Ų | 94 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | trans | -103.9 | 23.4 | -171.6 | -81.7 | -7.6 | 0 | 0 | 0 | 115.1 | R356 D361 V362 | R356-N359 PolarHBondContact O-N 3.44Å; N359-D361 PolarHBondContact O-N 3.44Å; N359-V362 PolarHBondContact O-N 2.03Å | ||
| 360 | C | 58.7 | Low | 49.9 | Very low | 34 Ų | 34 | 93.4 Ų | 93.4 | 23% | 0.23 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -22.3 | 175 | -70 | 0 | 0 | 0 | 0 | 113.4 | Y315 C319 | Y315-C360 WeakPolarHBondContact OH-CA 3.23Å; C319-C360 HydrophobicContact CB-CB 3.96Å; C319-C360 WeakPolarHBondContact CB-SG 3.28Å; C319-C360 WeakPolarHBondContact SG-CB 3.42Å; C319-C360 CovalentContact SG-SG 2.06Å; C319-C360 PolarHBondContact SG-SG 2.84Å |
| 361 | D | 49.8 | Very low | 50.5 | Low | 121 Ų | 121 | 90.2 Ų | 90.2 | 65% | 0.647 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -7.6 | -176.6 | -62.2 | -34.5 | 0 | 0 | 0 | 115.4 | R326 N359 | R326-D361 IonicContact NH1-OD2 3.38Å; R326-D361 PolarHBondContact NH1-OD2 2.81Å; N359-D361 PolarHBondContact O-N 3.44Å |
| 362 | V | 49.5 | Very low | 50.6 | Low | 82 Ų | 82 | 91.6 Ų | 91.6 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | -21.9 | -167.5 | -173.5 | 0 | 0 | 0 | 0 | 115.5 | N359 | N359-V362 PolarHBondContact O-N 2.03Š|
| 363 | E | 50.6 | Low | 50.3 | Low | 58 Ų | 58 | 94 Ų | 94 | 27% | 0.271 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -82.9 | -12.2 | -171 | -85.2 | -170.4 | 143 | 0 | 0 | 116.4 | R356 L365 | R356-E363 VanDerWaalsContact CG-OE2 3.32Å; R356-E363 WeakPolarHBondContact CG-OE2 3.23Å; E363-L365 VanDerWaalsContact C-N 3.32Å; E363-L365 PolarHBondContact O-N 2.84Å |
| 364 | D | 52.8 | Low | 50.2 | Low | 75 Ų | 75 | 96.3 Ų | 96.3 | 40% | 0.401 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -77.4 | -10.2 | -171.1 | -85.3 | -5.8 | 0 | 0 | 0 | 114.9 | R59 | R59-D364 IonicContact CZ-OD1 2.68Å; R59-D364 IonicContact NH1-OD1 3.22Å; R59-D364 PolarHBondContact NH1-OD1 2.97Å; R59-D364 IonicContact NH2-OD1 3.95Å; R59-D364 PolarHBondContact NH2-OD1 3.48Å; R59-D364 VanDerWaalsContact NH2-OD1 3.15Å |
| 365 | L | 47.3 | Very low | 50.2 | Low | 158 Ų | 158 | 95.3 Ų | 95.3 | 83% | 0.827 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -125.9 | -24.1 | 177.4 | -72.4 | 163.5 | 0 | 0 | 0 | 114.3 | E363 | E363-L365 VanDerWaalsContact C-N 3.32Å; E363-L365 PolarHBondContact O-N 2.84Å |
| 366 | R | 45.6 | Very low | 50.1 | Low | 166 Ų | 166 | 96.2 Ų | 96.2 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -85.4 | -20.6 | -165.5 | -165.2 | 169.9 | 166.9 | 169.2 | -2.7 | 115.8 | N368 D370 | R366-N368 PolarHBondContact O-N 3.32Å; R366-D370 IonicContact NE-OD2 3.15Å |
| 367 | N | 49.2 | Very low | 50 | Low | 100 Ų | 100 | 97 Ų | 97 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 3.9 | 176.3 | -84.1 | -39.4 | 0 | 0 | 0 | 114.1 | S371 | N367-S371 PolarHBondContact O-OG 3.08Š|
| 368 | N | 49 | Very low | 49.9 | Very low | 71 Ų | 71 | 100.5 Ų | 100.5 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -37.5 | -176 | -151.3 | -27.4 | 0 | 0 | 0 | 113.7 | R60 R366 | R60-N368 PolarHBondContact NH1-O 3.5Å; R60-N368 PolarHBondContact NH1-OD1 3.49Å; R60-N368 PolarHBondContact NH2-ND2 2.99Å; R60-N368 VanDerWaalsContact NH2-ND2 3.18Å; R60-N368 PolarHBondContact NH2-OD1 3.26Å; R366-N368 PolarHBondContact O-N 3.32Å |
| 369 | D | 44.3 | Very low | 49.9 | Very low | 114 Ų | 114 | 97.3 Ų | 97.3 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -37.9 | -172.1 | -71.6 | -33.9 | 0 | 0 | 0 | 113.7 | S371 Q372 | D369-S371 VanDerWaalsContact C-N 3.29Å; D369-S371 PolarHBondContact O-N 3.34Å; D369-Q372 PolarHBondContact O-N 3.46Å |
| 370 | D | 48.2 | Very low | 49.9 | Very low | 90 Ų | 90 | 99.6 Ų | 99.6 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.6 | -23.3 | -173.7 | -71.6 | -30.4 | 0 | 0 | 0 | 113.7 | R366 T374 | R366-D370 IonicContact NE-OD2 3.15Å; D370-T374 PolarHBondContact O-OG1 2.62Å |
| 371 | S | 49.5 | Very low | 49.7 | Very low | 60 Ų | 60 | 105.4 Ų | 105.4 | 42% | 0.42 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -83.4 | -18.4 | 179.1 | 47.9 | 0 | 0 | 0 | 0 | 114.2 | N367 D369 | N367-S371 PolarHBondContact O-OG 3.08Å; D369-S371 VanDerWaalsContact C-N 3.29Å; D369-S371 PolarHBondContact O-N 3.34Å |
| 372 | Q | 44.1 | Very low | 49.8 | Very low | 139 Ų | 139 | 109.5 Ų | 109.5 | 65% | 0.65 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -85.1 | -33.5 | 172.8 | -69.9 | -155.8 | 20.1 | 0 | 0 | 112.9 | D369 K376 | D369-Q372 PolarHBondContact O-N 3.46Å; Q372-K376 PolarHBondContact O-N 3.48Å |
| 373 | L | 45.9 | Very low | 50.1 | Low | 128 Ų | 128 | 114 Ų | 114 | 67% | 0.67 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.7 | -44.4 | 177.6 | -93.9 | 99.5 | 0 | 0 | 0 | 112.3 | A375 K376 D377 | L373-A375 PolarHBondContact O-N 3.46Å; L373-K376 PolarHBondContact O-N 3.13Å; L373-D377 PolarHBondContact O-N 3.15Å |
| 374 | T | 51.4 | Low | 50.1 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 53% | 0.528 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70 | -27.5 | -178.8 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | D370 N378 | D370-T374 PolarHBondContact O-OG1 2.62Å; T374-N378 PolarHBondContact O-N 3.4Å; T374-N378 PolarHBondContact O-ND2 3.38Å |
| 375 | A | 49.8 | Very low | 50.2 | Low | 63 Ų | 63 | 119.1 Ų | 119.1 | 52% | 0.521 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -78.3 | -32.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L373 S379 | L373-A375 PolarHBondContact O-N 3.46Å; A375-S379 PolarHBondContact O-N 3.28Å |
| 376 | K | 49.8 | Very low | 50.6 | Low | 156 Ų | 156 | 118.7 Ų | 118.7 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.1 | -41.8 | 177.3 | -128.2 | 175.3 | -179.6 | -179.6 | 0 | 111.2 | Q372 L373 S379 L380 | Q372-K376 PolarHBondContact O-N 3.48Å; L373-K376 PolarHBondContact O-N 3.13Å; K376-S379 PolarHBondContact O-N 3.33Å; K376-S379 PolarHBondContact O-OG 3.19Å; K376-L380 PolarHBondContact O-N 3.23Å |
| 377 | D | 51.7 | Low | 51 | Low | 95 Ų | 95 | 115.3 Ų | 115.3 | 51% | 0.508 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.5 | -36.5 | -176.2 | -151.8 | 22.1 | 0 | 0 | 0 | 112.7 | L373 S379 K381 | L373-D377 PolarHBondContact O-N 3.15Å; D377-S379 PolarHBondContact O-N 2.95Å; D377-K381 PolarHBondContact O-N 3Å |
| 378 | N | 53.9 | Low | 51.2 | Low | 108 Ų | 108 | 122.9 Ų | 122.9 | 58% | 0.578 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.9 | -21.5 | 175.5 | -75.2 | -42 | 0 | 0 | 0 | 114 | T374 | T374-N378 PolarHBondContact O-N 3.4Å; T374-N378 PolarHBondContact O-ND2 3.38Å |
| 379 | S | 51.5 | Low | 51.3 | Low | 64 Ų | 64 | 125.5 Ų | 125.5 | 45% | 0.448 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -80.1 | -27.6 | 176.2 | 77.2 | 0 | 0 | 0 | 0 | 113.2 | A375 K376 D377 | A375-S379 PolarHBondContact O-N 3.28Å; K376-S379 PolarHBondContact O-N 3.33Å; K376-S379 PolarHBondContact O-OG 3.19Å; D377-S379 PolarHBondContact O-N 2.95Å |
| 380 | L | 54.9 | Low | 51.7 | Low | 124 Ų | 124 | 126.1 Ų | 126.1 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -77.6 | -39.1 | 175.8 | -80.3 | 155.9 | 0 | 0 | 0 | 111.3 | K376 R382 K383 | K376-L380 PolarHBondContact O-N 3.23Å; L380-R382 VanDerWaalsContact C-N 3.33Å; L380-R382 PolarHBondContact O-N 3.48Å; L380-K383 PolarHBondContact O-N 2.55Å |
| 381 | K | 54.2 | Low | 51.8 | Low | 155 Ų | 155 | 128.1 Ų | 128.1 | 67% | 0.674 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.2 | -27.2 | 175.9 | -78.7 | -177.8 | 178.1 | 174 | 0 | 114.5 | D377 | D377-K381 PolarHBondContact O-N 3Å |
| 382 | R | 53.3 | Low | 52 | Low | 208 Ų | 208 | 132.1 Ų | 132.1 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -82.7 | -19.7 | 176.8 | -89 | -173 | -168.8 | 177.6 | 4.6 | 114.9 | L380 | L380-R382 VanDerWaalsContact C-N 3.33Å; L380-R382 PolarHBondContact O-N 3.48Å |
| 383 | K | 54.5 | Low | 52.5 | Low | 176 Ų | 176 | 131.6 Ų | 131.6 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -88.2 | -10 | 178.4 | -79.8 | -172.5 | 172.7 | -173 | 0 | 114.1 | L380 | L380-K383 PolarHBondContact O-N 2.55Å |
| 384 | G | 51.7 | Low | 52.9 | Low | 55 Ų | 55 | 131.9 Ų | 131.9 | 57% | 0.567 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -93.9 | -0.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 385 | F | 54.4 | Low | 53 | Low | 185 Ų | 185 | 135.1 Ų | 135.1 | 81% | 0.811 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -112.8 | -0.3 | -175.6 | -141.8 | -93.7 | 0 | 0 | 0 | 113.7 | ||
| 386 | D | 56.6 | Low | 53.3 | Low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -110.6 | 22.3 | -179.6 | -69.5 | -27.9 | 0 | 0 | 0 | 112.1 | ||
| 387 | S | 53.5 | Low | 53.6 | Low | 95 Ų | 95 | 139.4 Ų | 139.4 | 66% | 0.664 | 71% | 0.705 | S | S | * | * | trans | -143.2 | 27.2 | -173.3 | 51.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 388 | E | 52.6 | Low | 53.7 | Low | 258 Ų | 258 | 143.5 Ų | 143.5 | 100% | 1.206 | 72% | 0.723 | S | S | * | * | trans | -119.8 | 0 | 158.9 | -80 | -178.8 | 123.3 | 0 | 0 | 108.6 |
Retrieved 388 of 388 residues in 285 ms
(Link to these results)