| 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 | 37.3 | Very low | 48.8 | Very low | 200 Ų | 200 | 115.2 Ų | 115.2 | 99% | 0.985 | 60% | 0.599 | S | S | * | * | 0 | -37.6 | 0 | -77 | -176.8 | 176.2 | 0 | 0 | 112.7 | S3 R4 L5 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.13Å; M1-R4 PolarHBondContact O-N 3.27Å; M1-L5 PolarHBondContact O-N 2.82Å | |||
| 2 | A | 31 | Very low | 50.6 | Low | 82 Ų | 82 | 110.8 Ų | 110.8 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -57.5 | -33.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S6 | A2-S6 PolarHBondContact O-N 3.22Å |
| 3 | S | 33.5 | Very low | 52.3 | Low | 94 Ų | 94 | 107.8 Ų | 107.8 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.8 | -18.4 | 179.3 | 55.7 | 0 | 0 | 0 | 0 | 115.2 | M1 S6 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.13Å; S3-S6 PolarHBondContact O-OG 3.42Å |
| 4 | R | 38.2 | Very low | 53.9 | Low | 206 Ų | 206 | 104 Ų | 104 | 78% | 0.777 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -85.7 | -32.7 | 173.4 | -76.7 | -172.8 | 177.8 | -177.7 | -0.7 | 111.6 | M1 F7 T8 | M1-R4 PolarHBondContact O-N 3.27Å; R4-F7 PolarHBondContact O-N 2.95Å; R4-T8 PolarHBondContact O-N 3.25Å; R4-T8 PolarHBondContact O-OG1 3.45Å |
| 5 | L | 43.9 | Very low | 55.6 | Low | 87 Ų | 87 | 100.5 Ų | 100.5 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70 | -38.8 | 177.1 | -74.6 | 158.1 | 0 | 0 | 0 | 112.2 | M1 F7 T8 Q9 | M1-L5 PolarHBondContact O-N 2.82Å; L5-F7 VanDerWaalsContact C-N 3.28Å; L5-F7 PolarHBondContact O-N 2.88Å; L5-T8 WeakPolarHBondContact CA-OG1 3.4Å; L5-T8 PolarHBondContact O-N 2.63Å; L5-T8 PolarHBondContact O-OG1 3.5Å; L5-Q9 PolarHBondContact O-N 3.22Å; L5-Q9 VanDerWaalsContact O-N 3.14Å |
| 6 | S | 50.6 | Low | 57.3 | Low | 65 Ų | 65 | 94.4 Ų | 94.4 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -34.7 | 173.5 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | A2 S3 V10 | A2-S6 PolarHBondContact O-N 3.22Å; S3-S6 PolarHBondContact O-OG 3.42Å; S6-V10 WeakPolarHBondContact O-CB 3.47Å; S6-V10 WeakPolarHBondContact O-CG2 3.37Å; S6-V10 PolarHBondContact O-N 2.99Å; S6-V10 VanDerWaalsContact O-N 3.08Å |
| 7 | F | 48.4 | Very low | 58.8 | Low | 153 Ų | 153 | 92.2 Ų | 92.2 | 67% | 0.671 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71.3 | -37.4 | 179.5 | -166.1 | -95.7 | 0 | 0 | 0 | 112.8 | R4 L5 R11 | R4-F7 PolarHBondContact O-N 2.95Å; L5-F7 VanDerWaalsContact C-N 3.28Å; L5-F7 PolarHBondContact O-N 2.88Å; F7-R11 WeakPolarHBondContact O-CB 3.35Å; F7-R11 PolarHBondContact O-N 3.38Å |
| 8 | T | 59.3 | Low | 60.2 | Low | 76 Ų | 76 | 92.6 Ų | 92.6 | 47% | 0.466 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.4 | -36.1 | 175 | 46 | 0 | 0 | 0 | 0 | 112.5 | R4 L5 R11 L12 | R4-T8 PolarHBondContact O-N 3.25Å; R4-T8 PolarHBondContact O-OG1 3.45Å; L5-T8 WeakPolarHBondContact CA-OG1 3.4Å; L5-T8 PolarHBondContact O-N 2.63Å; L5-T8 PolarHBondContact O-OG1 3.5Å; T8-R11 PolarHBondContact O-N 3.29Å; T8-L12 WeakPolarHBondContact O-CG 3.12Å; T8-L12 PolarHBondContact O-N 3.21Å |
| 9 | Q | 60.8 | Low | 61.5 | Low | 90 Ų | 90 | 90.5 Ų | 90.5 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.2 | -44.7 | 178.6 | -174.5 | 173.3 | -10.5 | 0 | 0 | 112.3 | L5 R11 L12 E13 | L5-Q9 PolarHBondContact O-N 3.22Å; L5-Q9 VanDerWaalsContact O-N 3.14Å; Q9-R11 PolarHBondContact O-N 3.25Å; Q9-L12 PolarHBondContact O-N 3.08Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.49Å; Q9-E13 PolarHBondContact NE2-OE1 3.45Å; Q9-E13 VanDerWaalsContact NE2-OE1 3.13Å; Q9-E13 WeakPolarHBondContact O-CG 3.25Å; Q9-E13 PolarHBondContact O-N 2.92Å |
| 10 | V | 63.9 | Low | 62.7 | Low | 95 Ų | 95 | 86 Ų | 86 | 58% | 0.576 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61 | -34.7 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | S6 A14 | S6-V10 WeakPolarHBondContact O-CB 3.47Å; S6-V10 WeakPolarHBondContact O-CG2 3.37Å; S6-V10 PolarHBondContact O-N 2.99Å; S6-V10 VanDerWaalsContact O-N 3.08Å; V10-A14 WeakPolarHBondContact O-CB 3.39Å; V10-A14 PolarHBondContact O-N 2.8Å |
| 11 | R | 69.4 | Low | 63.8 | Low | 119 Ų | 119 | 81.9 Ų | 81.9 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.7 | -42.1 | 175.5 | -176.9 | 177 | 163.2 | -180 | -6.3 | 112.8 | F7 T8 Q9 A14 E15 M226 | F7-R11 WeakPolarHBondContact O-CB 3.35Å; F7-R11 PolarHBondContact O-N 3.38Å; T8-R11 PolarHBondContact O-N 3.29Å; Q9-R11 PolarHBondContact O-N 3.25Å; R11-A14 PolarHBondContact O-N 3.32Å; R11-E15 IonicContact CZ-OE1 3.35Å; R11-E15 IonicContact NE-OE1 2.79Å; R11-E15 PolarHBondContact NE-OE1 3.14Å; R11-E15 IonicContact NH2-OE1 3.31Å; R11-E15 PolarHBondContact NH2-OE1 3.48Å; R11-E15 WeakPolarHBondContact O-CB 3.47Å; R11-E15 WeakPolarHBondContact O-CG 3.26Å; R11-E15 PolarHBondContact O-N 2.89Å; R11-M226 PolarHBondContact NH2-SD 3.42Å; R11-M226 VanDerWaalsContact NH2-SD 3.4Å |
| 12 | L | 71.3 | Confident | 66.1 | Low | 62 Ų | 62 | 73.9 Ų | 73.9 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 175.5 | -76.4 | 167.2 | 0 | 0 | 0 | 111.8 | T8 Q9 E15 L16 L31 | T8-L12 WeakPolarHBondContact O-CG 3.12Å; T8-L12 PolarHBondContact O-N 3.21Å; Q9-L12 PolarHBondContact O-N 3.08Å; L12-E15 PolarHBondContact O-N 3.34Å; L12-L16 WeakPolarHBondContact O-CB 3.21Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.29Å; L12-L31 HydrophobicContact CD2-CD2 4.37Å |
| 13 | E | 72.1 | Confident | 68.6 | Low | 73 Ų | 73 | 72.1 Ų | 72.1 | 34% | 0.341 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.7 | -73.3 | 170.9 | -170.8 | 0 | 0 | 111 | Q9 E15 L16 E17 | Q9-E13 WeakPolarHBondContact CG-OE1 3.49Å; Q9-E13 PolarHBondContact NE2-OE1 3.45Å; Q9-E13 VanDerWaalsContact NE2-OE1 3.13Å; Q9-E13 WeakPolarHBondContact O-CG 3.25Å; Q9-E13 PolarHBondContact O-N 2.92Å; E13-E15 PolarHBondContact O-N 3.39Å; E13-L16 PolarHBondContact O-N 2.97Å; E13-E17 WeakPolarHBondContact O-CG 3.39Å; E13-E17 PolarHBondContact O-N 3.49Å |
| 14 | A | 75.4 | Confident | 71.1 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 45% | 0.446 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V10 R11 R18 | V10-A14 WeakPolarHBondContact O-CB 3.39Å; V10-A14 PolarHBondContact O-N 2.8Å; R11-A14 PolarHBondContact O-N 3.32Å; A14-R18 WeakPolarHBondContact O-CB 3.18Å; A14-R18 PolarHBondContact O-N 3.06Å; A14-R18 VanDerWaalsContact O-N 3.07Å |
| 15 | E | 79.5 | Confident | 73.3 | Confident | 52 Ų | 52 | 60.3 Ų | 60.3 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 174.4 | -75.4 | 176.6 | -164.7 | 0 | 0 | 111.4 | R11 L12 E13 R18 Y19 | R11-E15 IonicContact CZ-OE1 3.35Å; R11-E15 IonicContact NE-OE1 2.79Å; R11-E15 PolarHBondContact NE-OE1 3.14Å; R11-E15 IonicContact NH2-OE1 3.31Å; R11-E15 PolarHBondContact NH2-OE1 3.48Å; R11-E15 WeakPolarHBondContact O-CB 3.47Å; R11-E15 WeakPolarHBondContact O-CG 3.26Å; R11-E15 PolarHBondContact O-N 2.89Å; L12-E15 PolarHBondContact O-N 3.34Å; E13-E15 PolarHBondContact O-N 3.39Å; E15-R18 WeakPolarHBondContact O-CB 3.39Å; E15-R18 PolarHBondContact O-N 3.37Å; E15-Y19 HydrophobicContact CB-CE2 4.23Å; E15-Y19 WeakPolarHBondContact O-CD2 3.3Å; E15-Y19 PolarHBondContact O-N 3.4Å |
| 16 | L | 81.8 | Confident | 75.1 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 174 | -77.3 | 171.5 | 0 | 0 | 0 | 112.4 | L12 E13 R18 Y19 R20 I28 L31 M35 L69 | L12-L16 WeakPolarHBondContact O-CB 3.21Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.29Å; E13-L16 PolarHBondContact O-N 2.97Å; L16-R18 PolarHBondContact O-N 3.23Å; L16-Y19 PolarHBondContact O-N 3.2Å; L16-R20 WeakPolarHBondContact O-CB 3.48Å; L16-R20 VanDerWaalsContact O-CG 3.29Å; L16-R20 WeakPolarHBondContact O-CG 3.39Å; L16-R20 PolarHBondContact O-N 2.84Å; L16-I28 HydrophobicContact CD2-CG2 4.26Å; L16-L31 HydrophobicContact CD2-CB 4.06Å; L16-L31 HydrophobicContact CD2-CD1 4.31Å; L16-M35 HydrophobicContact CD1-SD 3.66Å; L16-L69 HydrophobicContact CD1-CD1 3.93Å; L16-L69 HydrophobicContact CD2-CD1 4.3Å |
| 17 | E | 82.9 | Confident | 76.5 | Confident | 58 Ų | 58 | 60.3 Ų | 60.3 | 27% | 0.271 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 176.6 | -70 | -165.9 | 143.6 | 0 | 0 | 111.7 | E13 A21 R119 Y161 | E13-E17 WeakPolarHBondContact O-CG 3.39Å; E13-E17 PolarHBondContact O-N 3.49Å; E17-A21 WeakPolarHBondContact O-CB 3.39Å; E17-A21 PolarHBondContact O-N 3.03Å; E17-R119 IonicContact OE1-NH2 2.87Å; E17-Y161 HydrophobicContact CB-CD1 4.41Å; E17-Y161 HydrophobicContact CB-CE1 3.93Å; E17-Y161 HydrophobicContact CG-CE1 3.77Å |
| 18 | R | 83.4 | Confident | 78.1 | Confident | 99 Ų | 99 | 53.1 Ų | 53.1 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -50.1 | 173.2 | 176.7 | 170.9 | -175.4 | 175.3 | 4.6 | 112.6 | A14 E15 L16 R20 A21 E22 M218 | A14-R18 WeakPolarHBondContact O-CB 3.18Å; A14-R18 PolarHBondContact O-N 3.06Å; A14-R18 VanDerWaalsContact O-N 3.07Å; E15-R18 WeakPolarHBondContact O-CB 3.39Å; E15-R18 PolarHBondContact O-N 3.37Å; L16-R18 PolarHBondContact O-N 3.23Å; R18-R20 VanDerWaalsContact C-N 3.27Å; R18-R20 PolarHBondContact O-N 3.49Å; R18-A21 WeakPolarHBondContact O-CB 3.39Å; R18-A21 PolarHBondContact O-N 3.16Å; R18-A21 VanDerWaalsContact O-N 3.07Å; R18-E22 HydrophobicContact CG-CG 4.44Å; R18-E22 WeakPolarHBondContact CG-OE1 3.42Å; R18-E22 IonicContact CZ-OE1 2.9Å; R18-E22 IonicContact NE-OE1 2.85Å; R18-E22 PolarHBondContact NE-OE1 2.85Å; R18-E22 IonicContact NH2-OE1 3.67Å; R18-E22 PolarHBondContact NH2-OE1 3.43Å; R18-E22 PolarHBondContact O-N 3.06Å; R18-M218 HydrophobicContact CB-CE 3.52Å; R18-M218 HydrophobicContact CG-CE 3.54Å |
| 19 | Y | 85.3 | Confident | 79.1 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -31.8 | 179.7 | -67.1 | -50.4 | 0 | 0 | 0 | 112.7 | E15 L16 C23 Q24 K27 L31 | E15-Y19 HydrophobicContact CB-CE2 4.23Å; E15-Y19 WeakPolarHBondContact O-CD2 3.3Å; E15-Y19 PolarHBondContact O-N 3.4Å; L16-Y19 PolarHBondContact O-N 3.2Å; Y19-C23 PolarHBondContact O-N 3.27Å; Y19-Q24 HydrophobicContact CD1-CB 4.08Å; Y19-Q24 VanDerWaalsContact CE1-OE1 3.29Å; Y19-Q24 PolarHBondContact O-N 3.23Å; Y19-K27 HydrophobicContact CD1-CB 4.36Å; Y19-K27 HydrophobicContact CD1-CD 4.03Å; Y19-K27 HydrophobicContact CD2-CB 4.5Å; Y19-K27 HydrophobicContact CE1-CB 4.47Å; Y19-K27 HydrophobicContact CE1-CD 3.57Å; Y19-K27 HydrophobicContact CG-CB 4.37Å; Y19-L31 HydrophobicContact CD2-CD1 3.4Å; Y19-L31 VanDerWaalsContact CD2-CD1 3.4Å; Y19-L31 HydrophobicContact CE2-CD1 3.33Å |
| 20 | R | 86.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.5 | -35.5 | 171.2 | -70.3 | 177.7 | 82.9 | -168.1 | -4.2 | 112.4 | L16 R18 I28 L69 E72 E123 Y161 | L16-R20 WeakPolarHBondContact O-CB 3.48Å; L16-R20 VanDerWaalsContact O-CG 3.29Å; L16-R20 WeakPolarHBondContact O-CG 3.39Å; L16-R20 PolarHBondContact O-N 2.84Å; R18-R20 VanDerWaalsContact C-N 3.27Å; R18-R20 PolarHBondContact O-N 3.49Å; R20-I28 HydrophobicContact CB-CD1 4.44Å; R20-I28 HydrophobicContact CG-CD1 3.75Å; R20-L69 HydrophobicContact CG-CD2 4.38Å; R20-E72 IonicContact CZ-OE2 2.77Å; R20-E72 IonicContact NE-OE2 3.83Å; R20-E72 PolarHBondContact NE-OE2 3.38Å; R20-E72 IonicContact NH2-OE1 2.79Å; R20-E72 IonicContact NH2-OE2 2.97Å; R20-E72 PolarHBondContact NH2-OE2 3.23Å; R20-E123 IonicContact CZ-OE2 3.02Å; R20-E123 IonicContact NH1-OE2 3.64Å; R20-E123 PolarHBondContact NH1-OE2 3.27Å; R20-E123 IonicContact NH2-OE2 2.94Å; R20-E123 PolarHBondContact NH2-OE2 3.44Å; R20-Y161 HydrophobicContact CB-CD1 4.06Å; R20-Y161 HydrophobicContact CB-CG 3.98Å; R20-Y161 VanDerWaalsContact NH1-CZ 3.27Å; R20-Y161 PolarHBondContact NH1-OH 2.93Å |
| 21 | A | 85.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.1 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E17 R18 C23 V160 Y211 L215 M218 | E17-A21 WeakPolarHBondContact O-CB 3.39Å; E17-A21 PolarHBondContact O-N 3.03Å; R18-A21 WeakPolarHBondContact O-CB 3.39Å; R18-A21 PolarHBondContact O-N 3.16Å; R18-A21 VanDerWaalsContact O-N 3.07Å; A21-C23 VanDerWaalsContact C-N 3.25Å; A21-C23 PolarHBondContact O-N 2.67Å; A21-V160 HydrophobicContact CB-CB 3.89Å; A21-V160 HydrophobicContact CB-CG1 4.15Å; A21-Y211 PolarHBondContact O-OH 3.27Å; A21-L215 HydrophobicContact CB-CD1 4.36Å; A21-L215 WeakPolarHBondContact O-CD1 3.47Å; A21-M218 HydrophobicContact CB-SD 4.15Å |
| 22 | E | 84.8 | Confident | 80.9 | Confident | 32 Ų | 32 | 40 Ų | 40 | 15% | 0.15 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0 | 177 | -65.3 | 178.7 | -170.3 | 0 | 0 | 113.5 | R18 Q24 L215 | R18-E22 HydrophobicContact CG-CG 4.44Å; R18-E22 WeakPolarHBondContact CG-OE1 3.42Å; R18-E22 IonicContact CZ-OE1 2.9Å; R18-E22 IonicContact NE-OE1 2.85Å; R18-E22 PolarHBondContact NE-OE1 2.85Å; R18-E22 IonicContact NH2-OE1 3.67Å; R18-E22 PolarHBondContact NH2-OE1 3.43Å; R18-E22 PolarHBondContact O-N 3.06Å; E22-Q24 VanDerWaalsContact C-N 3.28Å; E22-Q24 HydrophobicContact CB-CG 4.11Å; E22-Q24 PolarHBondContact O-N 2.96Å; E22-Q24 PolarHBondContact OE2-NE2 3.45Å; E22-L215 HydrophobicContact CG-CD1 4.46Å |
| 23 | C | 84.9 | Confident | 80.9 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 30% | 0.297 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 34.7 | -178.1 | -59.1 | 0 | 0 | 0 | 0 | 114.6 | Y19 A21 W25 | Y19-C23 PolarHBondContact O-N 3.27Å; A21-C23 VanDerWaalsContact C-N 3.25Å; A21-C23 PolarHBondContact O-N 2.67Å; C23-W25 HydrophobicContact CB-CZ2 3.87Å; C23-W25 VanDerWaalsContact O-CD1 3.27Å; C23-W25 PolarHBondContact O-N 3.04Å; C23-W25 VanDerWaalsContact O-N 3.16Å; C23-W25 PolarHBondContact O-NE1 3.18Å |
| 24 | Q | 85.3 | Confident | 80.8 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | trans | -89.5 | 69.2 | -179.9 | -68.2 | 177.9 | 14 | 0 | 0 | 111.8 | Y19 E22 G26 K27 I28 | Y19-Q24 HydrophobicContact CD1-CB 4.08Å; Y19-Q24 VanDerWaalsContact CE1-OE1 3.29Å; Y19-Q24 PolarHBondContact O-N 3.23Å; E22-Q24 VanDerWaalsContact C-N 3.28Å; E22-Q24 HydrophobicContact CB-CG 4.11Å; E22-Q24 PolarHBondContact O-N 2.96Å; E22-Q24 PolarHBondContact OE2-NE2 3.45Å; Q24-G26 PolarHBondContact O-N 2.97Å; Q24-K27 HydrophobicContact CB-CD 4.45Å; Q24-K27 PolarHBondContact O-N 3.39Å; Q24-K27 VanDerWaalsContact O-N 3.16Å; Q24-K27 VanDerWaalsContact OE1-CD 3.28Å; Q24-I28 PolarHBondContact O-N 3.31Å | ||
| 25 | W | 85.4 | Confident | 80.4 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58 | -39.8 | -170.9 | -52.4 | 115.9 | 0 | 0 | 0 | 114.7 | C23 K27 I28 L29 E72 A73 E76 E77 | C23-W25 HydrophobicContact CB-CZ2 3.87Å; C23-W25 VanDerWaalsContact O-CD1 3.27Å; C23-W25 PolarHBondContact O-N 3.04Å; C23-W25 VanDerWaalsContact O-N 3.16Å; C23-W25 PolarHBondContact O-NE1 3.18Å; W25-K27 VanDerWaalsContact C-N 3.31Å; W25-K27 PolarHBondContact O-N 3.41Å; W25-I28 HydrophobicContact CE3-CD1 3.55Å; W25-I28 HydrophobicContact CZ3-CD1 3.73Å; W25-I28 WeakPolarHBondContact O-CB 3.2Å; W25-I28 PolarHBondContact O-N 3.41Å; W25-I28 VanDerWaalsContact O-N 3.16Å; W25-L29 PolarHBondContact O-N 3.2Å; W25-L29 VanDerWaalsContact O-N 3.14Å; W25-E72 HydrophobicContact CH2-CG 4.11Å; W25-E72 HydrophobicContact CZ3-CG 3.82Å; W25-A73 HydrophobicContact CB-CB 4.17Å; W25-A73 HydrophobicContact CE3-CB 4.08Å; W25-E76 HydrophobicContact CD2-CB 3.84Å; W25-E76 HydrophobicContact CD2-CG 4.27Å; W25-E76 VanDerWaalsContact CE2-CB 3.41Å; W25-E76 HydrophobicContact CE3-CB 4.48Å; W25-E76 HydrophobicContact CG-CB 4.2Å; W25-E76 HydrophobicContact CH2-CB 4.43Å; W25-E76 HydrophobicContact CH2-CG 3.85Å; W25-E76 HydrophobicContact CZ2-CB 3.77Å; W25-E76 HydrophobicContact CZ2-CG 3.53Å; W25-E76 HydrophobicContact CZ3-CG 4.32Å; W25-E77 HydrophobicContact CB-CG 3.91Å; W25-E77 HydrophobicContact CG-CG 4.46Å |
| 26 | G | 79.9 | Confident | 79.7 | Confident | 49 Ų | 49 | 45 Ų | 45 | 51% | 0.505 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -32.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q24 A30 | Q24-G26 PolarHBondContact O-N 2.97Å; G26-A30 PolarHBondContact O-N 3.42Å |
| 27 | K | 81.8 | Confident | 78.7 | Confident | 104 Ų | 104 | 47.5 Ų | 47.5 | 45% | 0.452 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -76.4 | -31.3 | 176.2 | -64.9 | -174.1 | -169.2 | 166.1 | 0 | 112 | Y19 Q24 W25 A30 L31 | Y19-K27 HydrophobicContact CD1-CB 4.36Å; Y19-K27 HydrophobicContact CD1-CD 4.03Å; Y19-K27 HydrophobicContact CD2-CB 4.5Å; Y19-K27 HydrophobicContact CE1-CB 4.47Å; Y19-K27 HydrophobicContact CE1-CD 3.57Å; Y19-K27 HydrophobicContact CG-CB 4.37Å; Q24-K27 HydrophobicContact CB-CD 4.45Å; Q24-K27 PolarHBondContact O-N 3.39Å; Q24-K27 VanDerWaalsContact O-N 3.16Å; Q24-K27 VanDerWaalsContact OE1-CD 3.28Å; W25-K27 VanDerWaalsContact C-N 3.31Å; W25-K27 PolarHBondContact O-N 3.41Å; K27-A30 PolarHBondContact O-N 3.48Å; K27-L31 WeakPolarHBondContact O-CB 3.41Å; K27-L31 WeakPolarHBondContact O-CG 3.48Å; K27-L31 PolarHBondContact O-N 3.37Å |
| 28 | I | 81.9 | Confident | 77.5 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 175 | -64.6 | 167.8 | 0 | 0 | 0 | 109.7 | L16 R20 Q24 W25 A30 L31 V32 L69 | L16-I28 HydrophobicContact CD2-CG2 4.26Å; R20-I28 HydrophobicContact CB-CD1 4.44Å; R20-I28 HydrophobicContact CG-CD1 3.75Å; Q24-I28 PolarHBondContact O-N 3.31Å; W25-I28 HydrophobicContact CE3-CD1 3.55Å; W25-I28 HydrophobicContact CZ3-CD1 3.73Å; W25-I28 WeakPolarHBondContact O-CB 3.2Å; W25-I28 PolarHBondContact O-N 3.41Å; W25-I28 VanDerWaalsContact O-N 3.16Å; I28-A30 PolarHBondContact O-N 3.34Å; I28-L31 PolarHBondContact O-N 3Å; I28-V32 HydrophobicContact CG2-CG2 4.2Å; I28-V32 WeakPolarHBondContact O-CB 3.37Å; I28-V32 VanDerWaalsContact O-CG2 3.23Å; I28-V32 WeakPolarHBondContact O-CG2 3.38Å; I28-V32 PolarHBondContact O-N 3.38Å; I28-L69 HydrophobicContact CG2-CB 4.22Å |
| 29 | L | 79.4 | Confident | 76.2 | Confident | 39 Ų | 39 | 46.2 Ų | 46.2 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 177.8 | -68.3 | 174.1 | 0 | 0 | 0 | 111.8 | W25 L31 V32 E33 M70 A73 | W25-L29 PolarHBondContact O-N 3.2Å; W25-L29 VanDerWaalsContact O-N 3.14Å; L29-L31 PolarHBondContact O-N 3.25Å; L29-V32 PolarHBondContact O-N 2.75Å; L29-E33 WeakPolarHBondContact O-CG 3.48Å; L29-E33 PolarHBondContact O-N 2.98Å; L29-M70 HydrophobicContact CD2-CG 4.14Å; L29-A73 HydrophobicContact CD1-CB 4.47Å; L29-A73 HydrophobicContact CD2-CB 3.85Å; L29-A73 HydrophobicContact CG-CB 3.95Å |
| 30 | A | 78.2 | Confident | 74.8 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 35% | 0.347 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | G26 K27 I28 Q34 | G26-A30 PolarHBondContact O-N 3.42Å; K27-A30 PolarHBondContact O-N 3.48Å; I28-A30 PolarHBondContact O-N 3.34Å; A30-Q34 VanDerWaalsContact O-CG 3.28Å; A30-Q34 WeakPolarHBondContact O-CG 3.4Å; A30-Q34 PolarHBondContact O-N 3.21Å; A30-Q34 VanDerWaalsContact O-N 3.08Å |
| 31 | L | 78.1 | Confident | 73 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.2 | -37.9 | 177.7 | -76.6 | 166.2 | 0 | 0 | 0 | 112.5 | L12 L16 Y19 K27 I28 L29 E33 Q34 M35 | L12-L31 HydrophobicContact CD2-CD2 4.37Å; L16-L31 HydrophobicContact CD2-CB 4.06Å; L16-L31 HydrophobicContact CD2-CD1 4.31Å; Y19-L31 HydrophobicContact CD2-CD1 3.4Å; Y19-L31 VanDerWaalsContact CD2-CD1 3.4Å; Y19-L31 HydrophobicContact CE2-CD1 3.33Å; K27-L31 WeakPolarHBondContact O-CB 3.41Å; K27-L31 WeakPolarHBondContact O-CG 3.48Å; K27-L31 PolarHBondContact O-N 3.37Å; I28-L31 PolarHBondContact O-N 3Å; L29-L31 PolarHBondContact O-N 3.25Å; L31-E33 VanDerWaalsContact C-N 3.33Å; L31-Q34 PolarHBondContact O-N 3Å; L31-M35 WeakPolarHBondContact O-CG 3.48Å; L31-M35 PolarHBondContact O-N 3.41Å |
| 32 | V | 76.1 | Confident | 71.2 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 175.2 | 174 | 0 | 0 | 0 | 0 | 109.9 | I28 L29 Q34 M35 H36 L69 M70 | I28-V32 HydrophobicContact CG2-CG2 4.2Å; I28-V32 WeakPolarHBondContact O-CB 3.37Å; I28-V32 VanDerWaalsContact O-CG2 3.23Å; I28-V32 WeakPolarHBondContact O-CG2 3.38Å; I28-V32 PolarHBondContact O-N 3.38Å; L29-V32 PolarHBondContact O-N 2.75Å; V32-Q34 VanDerWaalsContact C-N 3.34Å; V32-Q34 PolarHBondContact O-N 3.06Å; V32-M35 PolarHBondContact O-N 3.04Å; V32-H36 WeakPolarHBondContact CG1-CE1 3.39Å; V32-H36 WeakPolarHBondContact CG1-ND1 3.27Å; V32-H36 PolarHBondContact O-N 3.1Å; V32-H36 PolarHBondContact O-ND1 2.97Å; V32-L69 HydrophobicContact CG2-CB 3.97Å; V32-L69 HydrophobicContact CG2-CD1 3.99Å; V32-M70 HydrophobicContact CG1-CG 3.91Å; V32-M70 HydrophobicContact CG1-SD 3.86Å |
| 33 | E | 71.1 | Confident | 69.3 | Low | 138 Ų | 138 | 67.6 Ų | 67.6 | 65% | 0.645 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 173.3 | -73 | 177.4 | 177.3 | 0 | 0 | 112.5 | L29 L31 H36 A37 | L29-E33 WeakPolarHBondContact O-CG 3.48Å; L29-E33 PolarHBondContact O-N 2.98Å; L31-E33 VanDerWaalsContact C-N 3.33Å; E33-H36 PolarHBondContact O-N 3.36Å; E33-A37 VanDerWaalsContact O-CB 3.31Å; E33-A37 WeakPolarHBondContact O-CB 3.49Å; E33-A37 PolarHBondContact O-N 2.88Å |
| 34 | Q | 69.1 | Low | 67.3 | Low | 120 Ų | 120 | 69 Ų | 69 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.7 | -37.7 | 174.6 | -72.6 | 172.6 | 11.3 | 0 | 0 | 112.7 | A30 L31 V32 A37 A38 | A30-Q34 VanDerWaalsContact O-CG 3.28Å; A30-Q34 WeakPolarHBondContact O-CG 3.4Å; A30-Q34 PolarHBondContact O-N 3.21Å; A30-Q34 VanDerWaalsContact O-N 3.08Å; L31-Q34 PolarHBondContact O-N 3Å; V32-Q34 VanDerWaalsContact C-N 3.34Å; V32-Q34 PolarHBondContact O-N 3.06Å; Q34-A37 PolarHBondContact O-N 2.92Å; Q34-A38 WeakPolarHBondContact O-CB 3.46Å; Q34-A38 PolarHBondContact O-N 3.28Å |
| 35 | M | 67.1 | Low | 65.3 | Low | 28 Ų | 28 | 72.6 Ų | 72.6 | 14% | 0.138 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 174.6 | -73.6 | -178.9 | 68.6 | 0 | 0 | 112.1 | L16 L31 V32 R39 | L16-M35 HydrophobicContact CD1-SD 3.66Å; L31-M35 WeakPolarHBondContact O-CG 3.48Å; L31-M35 PolarHBondContact O-N 3.41Å; V32-M35 PolarHBondContact O-N 3.04Å; M35-R39 WeakPolarHBondContact O-CG 3.23Å; M35-R39 PolarHBondContact O-N 3.42Å |
| 36 | H | 65.9 | Low | 63.1 | Low | 59 Ų | 59 | 75.5 Ų | 75.5 | 27% | 0.273 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.9 | -43.2 | 174.8 | -71.4 | 88.2 | 0 | 0 | 0 | 111.2 | V32 E33 R39 I40 | V32-H36 WeakPolarHBondContact CG1-CE1 3.39Å; V32-H36 WeakPolarHBondContact CG1-ND1 3.27Å; V32-H36 PolarHBondContact O-N 3.1Å; V32-H36 PolarHBondContact O-ND1 2.97Å; E33-H36 PolarHBondContact O-N 3.36Å; H36-R39 PolarHBondContact O-N 3.33Å; H36-I40 VanDerWaalsContact O-CG1 3.31Å; H36-I40 WeakPolarHBondContact O-CG1 3.36Å; H36-I40 PolarHBondContact O-N 3.19Å |
| 37 | A | 59.6 | Low | 61 | Low | 55 Ų | 55 | 81.1 Ų | 81.1 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E33 Q34 R39 H41 | E33-A37 VanDerWaalsContact O-CB 3.31Å; E33-A37 WeakPolarHBondContact O-CB 3.49Å; E33-A37 PolarHBondContact O-N 2.88Å; Q34-A37 PolarHBondContact O-N 2.92Å; A37-R39 VanDerWaalsContact C-N 3.32Å; A37-R39 PolarHBondContact O-N 2.96Å; A37-H41 PolarHBondContact O-N 3.18Å |
| 38 | A | 58.9 | Low | 59.4 | Low | 62 Ų | 62 | 84.7 Ų | 84.7 | 51% | 0.512 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -33 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q34 | Q34-A38 WeakPolarHBondContact O-CB 3.46Å; Q34-A38 PolarHBondContact O-N 3.28Å |
| 39 | R | 56.7 | Low | 57.5 | Low | 68 Ų | 68 | 95.7 Ų | 95.7 | 26% | 0.257 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -79 | -35.7 | 179.1 | -74.3 | 179.5 | -174.5 | 167 | 4.2 | 113.9 | M35 H36 A37 H41 E42 D43 | M35-R39 WeakPolarHBondContact O-CG 3.23Å; M35-R39 PolarHBondContact O-N 3.42Å; H36-R39 PolarHBondContact O-N 3.33Å; A37-R39 VanDerWaalsContact C-N 3.32Å; A37-R39 PolarHBondContact O-N 2.96Å; R39-H41 PolarHBondContact O-N 2.85Å; R39-E42 PolarHBondContact O-N 3.27Å; R39-D43 PolarHBondContact O-N 2.99Å; R39-D43 VanDerWaalsContact O-N 3.17Å |
| 40 | I | 54.3 | Low | 55.6 | Low | 127 Ų | 127 | 100.7 Ų | 100.7 | 65% | 0.651 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.4 | -30.6 | 173.4 | -66.5 | 164.5 | 0 | 0 | 0 | 110.7 | H36 | H36-I40 VanDerWaalsContact O-CG1 3.31Å; H36-I40 WeakPolarHBondContact O-CG1 3.36Å; H36-I40 PolarHBondContact O-N 3.19Å |
| 41 | H | 48.4 | Very low | 53.6 | Low | 160 Ų | 160 | 102.2 Ų | 102.2 | 74% | 0.741 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.2 | -26.6 | 174.6 | -116.3 | -64.5 | 0 | 0 | 0 | 114.1 | A37 R39 | A37-H41 PolarHBondContact O-N 3.18Å; R39-H41 PolarHBondContact O-N 2.85Å |
| 42 | E | 47.5 | Very low | 51.8 | Low | 113 Ų | 113 | 108.8 Ų | 108.8 | 53% | 0.528 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -79.7 | -40.3 | 177.2 | -71.5 | -169 | 154.8 | 0 | 0 | 112.4 | R39 G44 C45 | R39-E42 PolarHBondContact O-N 3.27Å; E42-G44 PolarHBondContact O-N 2.86Å; E42-C45 PolarHBondContact O-N 3.41Å |
| 43 | D | 45.6 | Very low | 49.9 | Very low | 135 Ų | 135 | 115.4 Ų | 115.4 | 72% | 0.722 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.4 | -21 | 176.5 | -81.7 | -25.5 | 0 | 0 | 0 | 112.9 | R39 | R39-D43 PolarHBondContact O-N 2.99Å; R39-D43 VanDerWaalsContact O-N 3.17Å |
| 44 | G | 43.1 | Very low | 48.4 | Very low | 72 Ų | 72 | 113.8 Ų | 113.8 | 74% | 0.742 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -16.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E42 | E42-G44 PolarHBondContact O-N 2.86Š|
| 45 | C | 42.7 | Very low | 47.1 | Very low | 115 Ų | 115 | 112.9 Ų | 112.9 | 78% | 0.777 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | -0.9 | -171.1 | -156.6 | 0 | 0 | 0 | 0 | 114.6 | E42 | E42-C45 PolarHBondContact O-N 3.41Š|
| 46 | A | 39.5 | Very low | 45.9 | Very low | 74 Ų | 74 | 117.8 Ų | 117.8 | 61% | 0.612 | 64% | 0.639 | S | S | * | * | trans | -87 | 112.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 47 | D | 36.8 | Very low | 44.6 | Very low | 167 Ų | 167 | 121.7 Ų | 121.7 | 89% | 0.893 | 66% | 0.661 | S | S | * | * | trans | -60.1 | 132.9 | 179 | -128.7 | -19.4 | 0 | 0 | 0 | 112.2 | R49 | D47-R49 PolarHBondContact O-N 3.37Å; D47-R49 VanDerWaalsContact O-N 3.07Å | ||
| 48 | K | 46.9 | Very low | 43.9 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 78% | 0.783 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -72.2 | 99.9 | -176.7 | -73.1 | 171.7 | 179.6 | 168.4 | 0 | 110.2 | ||
| 49 | R | 42 | Very low | 43.5 | Very low | 232 Ų | 232 | 125 Ų | 125 | 88% | 0.875 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 176.2 | 139.9 | 135.9 | -94 | 148.8 | -172.8 | -172.5 | 2 | 110.7 | D47 | D47-R49 PolarHBondContact O-N 3.37Å; D47-R49 VanDerWaalsContact O-N 3.07Å |
| 50 | T | 39.7 | Very low | 43.4 | Very low | 143 Ų | 143 | 124.8 Ų | 124.8 | 88% | 0.877 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 68.6 | 57 | 166 | 60.4 | 0 | 0 | 0 | 0 | 119.3 | ||
| 51 | S | 36.8 | Very low | 43.4 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | trans | -167.2 | 67 | 145.1 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 52 | K | 39.5 | Very low | 43.9 | Very low | 160 Ų | 160 | 113.7 Ų | 113.7 | 70% | 0.696 | 62% | 0.619 | S | S | * | * | trans | -96.9 | -16.1 | -171.8 | -86.5 | -171.6 | 173.3 | -172.9 | 0 | 116 | F56 | K52-F56 WeakPolarHBondContact O-CB 3.26Š| ||
| 53 | N | 37 | Very low | 44.9 | Very low | 141 Ų | 141 | 111 Ų | 111 | 75% | 0.754 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -106.5 | -16 | -170.6 | -76.2 | 3.8 | 0 | 0 | 0 | 115.4 | ||
| 54 | V | 39.5 | Very low | 46.5 | Very low | 104 Ų | 104 | 104.6 Ų | 104.6 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -98.1 | -36.4 | 178.4 | -174 | 0 | 0 | 0 | 0 | 111.6 | ||
| 55 | N | 41.9 | Very low | 48.3 | Very low | 100 Ų | 100 | 102.2 Ų | 102.2 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -77.4 | -21.4 | 179.3 | -70.1 | 0.4 | 0 | 0 | 0 | 114 | S59 | N55-S59 WeakPolarHBondContact O-CB 3.41Å; N55-S59 PolarHBondContact O-N 2.96Å; N55-S59 VanDerWaalsContact O-N 3.1Å |
| 56 | F | 41.5 | Very low | 50.1 | Low | 131 Ų | 131 | 97.1 Ų | 97.1 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -76.5 | -32.6 | -174.8 | -151.6 | -93.8 | 0 | 0 | 0 | 113.2 | K52 H60 | K52-F56 WeakPolarHBondContact O-CB 3.26Å; F56-H60 AromaticContact CD1-CD2 3.81Å; F56-H60 AromaticContact CD1-NE2 3.81Å; F56-H60 AromaticContact CE1-CD2 3.7Å; F56-H60 AromaticContact CE1-NE2 3.22Å; F56-H60 WeakPolarHBondContact CE1-NE2 3.36Å; F56-H60 AromaticContact CZ-NE2 3.65Å; F56-H60 PolarHBondContact O-CD2 3.3Å |
| 57 | L | 38.4 | Very low | 52.3 | Low | 142 Ų | 142 | 95 Ų | 95 | 74% | 0.743 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.6 | -32 | 175.6 | -75.8 | 161.1 | 0 | 0 | 0 | 112 | A61 | L57-A61 PolarHBondContact O-N 2.93Å |
| 58 | Q | 45.8 | Very low | 54.7 | Low | 140 Ų | 140 | 87 Ų | 87 | 65% | 0.654 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -79.5 | -30.5 | -179.5 | -145.9 | 158 | 6.9 | 0 | 0 | 112.3 | A62 | Q58-A62 WeakPolarHBondContact O-CB 3.49Å; Q58-A62 PolarHBondContact O-N 2.9Å |
| 59 | S | 50.6 | Low | 56.5 | Low | 47 Ų | 47 | 78.6 Ų | 78.6 | 33% | 0.329 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.7 | -51.5 | 173.2 | 145.4 | 0 | 0 | 0 | 0 | 112.3 | N55 A61 A62 D63 | N55-S59 WeakPolarHBondContact O-CB 3.41Å; N55-S59 PolarHBondContact O-N 2.96Å; N55-S59 VanDerWaalsContact O-N 3.1Å; S59-A61 PolarHBondContact O-N 3.12Å; S59-A62 PolarHBondContact O-N 3.01Å; S59-D63 PolarHBondContact O-N 3.3Å; S59-D63 VanDerWaalsContact O-N 3.17Å |
| 60 | H | 53.8 | Low | 58.6 | Low | 62 Ų | 62 | 69.8 Ų | 69.8 | 29% | 0.287 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71 | -31.3 | -178 | -73.2 | -48.3 | 0 | 0 | 0 | 114.6 | F56 A62 D63 D64 | F56-H60 AromaticContact CD1-CD2 3.81Å; F56-H60 AromaticContact CD1-NE2 3.81Å; F56-H60 AromaticContact CE1-CD2 3.7Å; F56-H60 AromaticContact CE1-NE2 3.22Å; F56-H60 WeakPolarHBondContact CE1-NE2 3.36Å; F56-H60 AromaticContact CZ-NE2 3.65Å; F56-H60 PolarHBondContact O-CD2 3.3Å; H60-A62 VanDerWaalsContact C-N 3.26Å; H60-A62 PolarHBondContact O-N 3.28Å; H60-D63 IonicContact ND1-OD2 3.05Å; H60-D63 PolarHBondContact O-N 2.9Å; H60-D64 PolarHBondContact O-N 3.03Å; H60-D64 VanDerWaalsContact O-N 3.12Å |
| 61 | A | 53.9 | Low | 60.9 | Low | 31 Ų | 31 | 63 Ų | 63 | 26% | 0.256 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.6 | -30.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L57 S59 Y65 L116 | L57-A61 PolarHBondContact O-N 2.93Å; S59-A61 PolarHBondContact O-N 3.12Å; A61-Y65 PolarHBondContact O-N 3.31Å; A61-Y65 VanDerWaalsContact O-N 3.14Å; A61-L116 WeakPolarHBondContact O-CD2 3.29Å |
| 62 | A | 58.5 | Low | 63.4 | Low | 24 Ų | 24 | 59.5 Ų | 59.5 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -78.5 | -27.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q58 S59 H60 G66 | Q58-A62 WeakPolarHBondContact O-CB 3.49Å; Q58-A62 PolarHBondContact O-N 2.9Å; S59-A62 PolarHBondContact O-N 3.01Å; H60-A62 VanDerWaalsContact C-N 3.26Å; H60-A62 PolarHBondContact O-N 3.28Å; A62-G66 PolarHBondContact O-N 3.42Å |
| 63 | D | 69.6 | Low | 65.8 | Low | 55 Ų | 55 | 51.9 Ų | 51.9 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.7 | -45 | 169.2 | -66.7 | -17.4 | 0 | 0 | 0 | 111 | S59 H60 Y65 G66 T67 | S59-D63 PolarHBondContact O-N 3.3Å; S59-D63 VanDerWaalsContact O-N 3.17Å; H60-D63 IonicContact ND1-OD2 3.05Å; H60-D63 PolarHBondContact O-N 2.9Å; D63-Y65 PolarHBondContact O-N 3.44Å; D63-G66 PolarHBondContact O-N 2.93Å; D63-G66 VanDerWaalsContact O-N 3.16Å; D63-T67 WeakPolarHBondContact O-CG2 3.34Å; D63-T67 PolarHBondContact O-N 2.9Å |
| 64 | D | 78.4 | Confident | 68.1 | Low | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -31.8 | 177.1 | -73 | -23.8 | 0 | 0 | 0 | 110.9 | H60 T67 L68 R113 R115 L116 | H60-D64 PolarHBondContact O-N 3.03Å; H60-D64 VanDerWaalsContact O-N 3.12Å; D64-T67 WeakPolarHBondContact CA-OG1 3.47Å; D64-T67 PolarHBondContact O-N 3.03Å; D64-T67 PolarHBondContact O-OG1 3.18Å; D64-L68 PolarHBondContact O-N 2.88Å; D64-R113 IonicContact OD1-CZ 2.84Å; D64-R113 IonicContact OD1-NH1 3.62Å; D64-R113 PolarHBondContact OD1-NH1 3.45Å; D64-R115 WeakPolarHBondContact OD2-CD 3.47Å; D64-L116 HydrophobicContact CB-CD2 3.91Å; D64-L116 HydrophobicContact CB-CG 4.1Å |
| 65 | Y | 80.6 | Confident | 70.5 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.1 | -41.8 | 173.5 | -177.9 | -116.2 | 0 | 0 | 0 | 112.4 | A61 D63 T67 L68 L69 Y120 | A61-Y65 PolarHBondContact O-N 3.31Å; A61-Y65 VanDerWaalsContact O-N 3.14Å; D63-Y65 PolarHBondContact O-N 3.44Å; Y65-T67 VanDerWaalsContact C-N 3.31Å; Y65-T67 PolarHBondContact O-N 3.29Å; Y65-L68 HydrophobicContact CD2-CD2 4.42Å; Y65-L68 WeakPolarHBondContact O-CB 3.31Å; Y65-L68 PolarHBondContact O-N 3.41Å; Y65-L69 HydrophobicContact CD1-CD1 4.24Å; Y65-L69 HydrophobicContact CE1-CD1 3.8Å; Y65-L69 HydrophobicContact CE1-CG 4.47Å; Y65-L69 HydrophobicContact CE2-CD2 4.47Å; Y65-L69 HydrophobicContact CE2-CG 4.47Å; Y65-L69 WeakPolarHBondContact O-CG 3.43Å; Y65-L69 PolarHBondContact O-N 3.36Å; Y65-L69 VanDerWaalsContact O-N 3.15Å; Y65-Y120 HydrophobicContact CD2-CD1 4.02Å; Y65-Y120 AromaticContact CD2-CD2 3.95Å; Y65-Y120 HydrophobicContact CD2-CD2 3.95Å; Y65-Y120 HydrophobicContact CD2-CE1 4.07Å; Y65-Y120 AromaticContact CD2-CE2 3.99Å; Y65-Y120 HydrophobicContact CD2-CE2 3.99Å; Y65-Y120 AromaticContact CD2-CG 3.98Å; Y65-Y120 HydrophobicContact CD2-CG 3.98Å; Y65-Y120 AromaticContact CE2-CD1 3.61Å; Y65-Y120 HydrophobicContact CE2-CD1 3.61Å; Y65-Y120 HydrophobicContact CE2-CD2 4.2Å; Y65-Y120 AromaticContact CE2-CE1 3.33Å; Y65-Y120 HydrophobicContact CE2-CE1 3.33Å; Y65-Y120 AromaticContact CE2-CE2 3.95Å; Y65-Y120 HydrophobicContact CE2-CE2 3.95Å; Y65-Y120 HydrophobicContact CE2-CG 4.06Å; Y65-Y120 AromaticContact CE2-CZ 3.51Å; Y65-Y120 AromaticContact CZ-CZ 3.98Å |
| 66 | G | 81.4 | Confident | 72.8 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A62 D63 L68 L69 M70 | A62-G66 PolarHBondContact O-N 3.42Å; D63-G66 PolarHBondContact O-N 2.93Å; D63-G66 VanDerWaalsContact O-N 3.16Å; G66-L68 VanDerWaalsContact C-N 3.34Å; G66-L68 PolarHBondContact O-N 2.97Å; G66-L69 PolarHBondContact O-N 3.4Å; G66-M70 PolarHBondContact O-N 2.6Å; G66-M70 VanDerWaalsContact O-N 3.09Å |
| 67 | T | 84.9 | Confident | 74.9 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 18% | 0.184 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.3 | -31.6 | 175.9 | 62.3 | 0 | 0 | 0 | 0 | 113.5 | D63 D64 Y65 A71 I110 | D63-T67 WeakPolarHBondContact O-CG2 3.34Å; D63-T67 PolarHBondContact O-N 2.9Å; D64-T67 WeakPolarHBondContact CA-OG1 3.47Å; D64-T67 PolarHBondContact O-N 3.03Å; D64-T67 PolarHBondContact O-OG1 3.18Å; Y65-T67 VanDerWaalsContact C-N 3.31Å; Y65-T67 PolarHBondContact O-N 3.29Å; T67-A71 WeakPolarHBondContact O-CB 3.28Å; T67-A71 PolarHBondContact O-N 3.34Å; T67-I110 WeakPolarHBondContact OG1-CD1 3.33Å |
| 68 | L | 87.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 173.5 | 179.6 | 64.3 | 0 | 0 | 0 | 111.1 | D64 Y65 G66 A71 E72 L107 I110 L116 Y120 E123 A124 L127 | D64-L68 PolarHBondContact O-N 2.88Å; Y65-L68 HydrophobicContact CD2-CD2 4.42Å; Y65-L68 WeakPolarHBondContact O-CB 3.31Å; Y65-L68 PolarHBondContact O-N 3.41Å; G66-L68 VanDerWaalsContact C-N 3.34Å; G66-L68 PolarHBondContact O-N 2.97Å; L68-A71 WeakPolarHBondContact O-CB 3.45Å; L68-A71 PolarHBondContact O-N 3.2Å; L68-E72 PolarHBondContact O-N 2.97Å; L68-L107 HydrophobicContact CD1-CD2 3.78Å; L68-I110 HydrophobicContact CB-CD1 3.98Å; L68-I110 HydrophobicContact CD1-CD1 4.32Å; L68-L116 HydrophobicContact CD2-CD1 4.25Å; L68-Y120 HydrophobicContact CD2-CD1 4.5Å; L68-E123 HydrophobicContact CD2-CB 4.43Å; L68-A124 HydrophobicContact CD1-CB 3.74Å; L68-L127 HydrophobicContact CD1-CD1 3.95Å |
| 69 | L | 86.4 | Confident | 79.2 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 179.1 | -65.7 | 176.7 | 0 | 0 | 0 | 112.3 | L16 R20 I28 V32 Y65 G66 A71 E72 A73 | L16-L69 HydrophobicContact CD1-CD1 3.93Å; L16-L69 HydrophobicContact CD2-CD1 4.3Å; R20-L69 HydrophobicContact CG-CD2 4.38Å; I28-L69 HydrophobicContact CG2-CB 4.22Å; V32-L69 HydrophobicContact CG2-CB 3.97Å; V32-L69 HydrophobicContact CG2-CD1 3.99Å; Y65-L69 HydrophobicContact CD1-CD1 4.24Å; Y65-L69 HydrophobicContact CE1-CD1 3.8Å; Y65-L69 HydrophobicContact CE1-CG 4.47Å; Y65-L69 HydrophobicContact CE2-CD2 4.47Å; Y65-L69 HydrophobicContact CE2-CG 4.47Å; Y65-L69 WeakPolarHBondContact O-CG 3.43Å; Y65-L69 PolarHBondContact O-N 3.36Å; Y65-L69 VanDerWaalsContact O-N 3.15Å; G66-L69 PolarHBondContact O-N 3.4Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-E72 PolarHBondContact O-N 3.47Å; L69-A73 WeakPolarHBondContact O-CB 3.49Å; L69-A73 PolarHBondContact O-N 3.09Å |
| 70 | M | 84.5 | Confident | 80.8 | Confident | 48 Ų | 48 | 22.3 Ų | 22.3 | 24% | 0.236 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 172.2 | -76.3 | 163.7 | 65.4 | 0 | 0 | 111.7 | L29 V32 G66 M74 Y106 | L29-M70 HydrophobicContact CD2-CG 4.14Å; V32-M70 HydrophobicContact CG1-CG 3.91Å; V32-M70 HydrophobicContact CG1-SD 3.86Å; G66-M70 PolarHBondContact O-N 2.6Å; G66-M70 VanDerWaalsContact O-N 3.09Å; M70-M74 WeakPolarHBondContact O-CB 3.47Å; M70-M74 WeakPolarHBondContact O-CG 3.41Å; M70-M74 PolarHBondContact O-N 3.48Å; M70-Y106 HydrophobicContact CE-CE2 4.47Å |
| 71 | A | 88.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T67 L68 L69 L75 A103 Y106 L107 | T67-A71 WeakPolarHBondContact O-CB 3.28Å; T67-A71 PolarHBondContact O-N 3.34Å; L68-A71 WeakPolarHBondContact O-CB 3.45Å; L68-A71 PolarHBondContact O-N 3.2Å; L69-A71 VanDerWaalsContact C-N 3.34Å; A71-L75 VanDerWaalsContact O-CB 3.26Å; A71-L75 WeakPolarHBondContact O-CB 3.24Å; A71-L75 PolarHBondContact O-N 3.42Å; A71-L75 VanDerWaalsContact O-N 3.09Å; A71-A103 WeakPolarHBondContact O-CB 3.47Å; A71-Y106 HydrophobicContact CB-CD2 4.49Å; A71-L107 HydrophobicContact CB-CD2 3.97Å; A71-L107 HydrophobicContact CB-CG 3.89Å |
| 72 | E | 90.3 | Very high | 83.8 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -52.7 | 174.6 | -172.6 | 177.4 | -159.1 | 0 | 0 | 111.4 | R20 W25 L68 L69 M74 L75 E76 L127 R164 | R20-E72 IonicContact CZ-OE2 2.77Å; R20-E72 IonicContact NE-OE2 3.83Å; R20-E72 PolarHBondContact NE-OE2 3.38Å; R20-E72 IonicContact NH2-OE1 2.79Å; R20-E72 IonicContact NH2-OE2 2.97Å; R20-E72 PolarHBondContact NH2-OE2 3.23Å; W25-E72 HydrophobicContact CH2-CG 4.11Å; W25-E72 HydrophobicContact CZ3-CG 3.82Å; L68-E72 PolarHBondContact O-N 2.97Å; L69-E72 PolarHBondContact O-N 3.47Å; E72-M74 PolarHBondContact O-N 2.87Å; E72-L75 WeakPolarHBondContact O-CB 3.35Å; E72-L75 PolarHBondContact O-N 3.49Å; E72-L75 VanDerWaalsContact O-N 3.12Å; E72-E76 HydrophobicContact CG-CG 4.25Å; E72-E76 VanDerWaalsContact O-CG 3.31Å; E72-E76 WeakPolarHBondContact O-CG 3.45Å; E72-E76 PolarHBondContact O-N 3.03Å; E72-L127 HydrophobicContact CB-CD1 3.77Å; E72-L127 HydrophobicContact CB-CD2 4.43Å; E72-L127 HydrophobicContact CG-CD1 4.08Å; E72-L127 HydrophobicContact CG-CD2 3.95Å; E72-R164 IonicContact OE1-NH2 2.81Å; E72-R164 PolarHBondContact OE1-NH2 2.7Å |
| 73 | A | 88.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W25 L29 L69 L75 E76 E77 | W25-A73 HydrophobicContact CB-CB 4.17Å; W25-A73 HydrophobicContact CE3-CB 4.08Å; L29-A73 HydrophobicContact CD1-CB 4.47Å; L29-A73 HydrophobicContact CD2-CB 3.85Å; L29-A73 HydrophobicContact CG-CB 3.95Å; L69-A73 WeakPolarHBondContact O-CB 3.49Å; L69-A73 PolarHBondContact O-N 3.09Å; A73-L75 VanDerWaalsContact C-N 3.29Å; A73-L75 PolarHBondContact O-N 3.49Å; A73-E76 PolarHBondContact O-N 2.92Å; A73-E77 WeakPolarHBondContact O-CB 3.36Å; A73-E77 WeakPolarHBondContact O-CG 3.42Å; A73-E77 PolarHBondContact O-N 2.83Å |
| 74 | M | 87.1 | Confident | 85.4 | Confident | 26 Ų | 26 | 28.3 Ų | 28.3 | 13% | 0.128 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.6 | -32.4 | 178 | -69.8 | -177.8 | 71.8 | 0 | 0 | 113.1 | M70 E72 C78 R99 K102 A103 Y106 | M70-M74 WeakPolarHBondContact O-CB 3.47Å; M70-M74 WeakPolarHBondContact O-CG 3.41Å; M70-M74 PolarHBondContact O-N 3.48Å; E72-M74 PolarHBondContact O-N 2.87Å; M74-C78 VanDerWaalsContact O-CB 3.29Å; M74-C78 WeakPolarHBondContact O-CB 3.37Å; M74-C78 PolarHBondContact O-N 2.98Å; M74-R99 HydrophobicContact CE-CB 4.19Å; M74-R99 HydrophobicContact CE-CG 4.24Å; M74-K102 HydrophobicContact CE-CB 3.56Å; M74-K102 HydrophobicContact CE-CD 3.68Å; M74-K102 HydrophobicContact CE-CG 4.26Å; M74-K102 HydrophobicContact SD-CB 4.38Å; M74-A103 HydrophobicContact CB-CB 4.34Å; M74-Y106 HydrophobicContact SD-CE2 4.05Å |
| 75 | L | 88.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.2 | -49.4 | 176 | 179 | 59.8 | 0 | 0 | 0 | 110.4 | A71 E72 A73 C78 L79 L100 A103 L127 K130 V131 | A71-L75 VanDerWaalsContact O-CB 3.26Å; A71-L75 WeakPolarHBondContact O-CB 3.24Å; A71-L75 PolarHBondContact O-N 3.42Å; A71-L75 VanDerWaalsContact O-N 3.09Å; E72-L75 WeakPolarHBondContact O-CB 3.35Å; E72-L75 PolarHBondContact O-N 3.49Å; E72-L75 VanDerWaalsContact O-N 3.12Å; A73-L75 VanDerWaalsContact C-N 3.29Å; A73-L75 PolarHBondContact O-N 3.49Å; L75-C78 WeakPolarHBondContact O-CB 3.44Å; L75-C78 PolarHBondContact O-N 3.33Å; L75-L79 HydrophobicContact CD1-CD1 4.43Å; L75-L79 HydrophobicContact CG-CD1 4.24Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.27Å; L75-L79 PolarHBondContact O-N 3.46Å; L75-L100 HydrophobicContact CD1-CD1 3.6Å; L75-A103 HydrophobicContact CB-CB 4.27Å; L75-L127 HydrophobicContact CD2-CB 4.46Å; L75-L127 HydrophobicContact CD2-CD2 4.32Å; L75-K130 HydrophobicContact CD2-CB 4.29Å; L75-K130 HydrophobicContact CD2-CD 4.02Å; L75-K130 HydrophobicContact CD2-CG 4.37Å; L75-K130 HydrophobicContact CG-CD 4.45Å; L75-V131 HydrophobicContact CD1-CG2 3.79Å; L75-V131 HydrophobicContact CD2-CG2 3.81Å; L75-V131 HydrophobicContact CG-CG2 4.44Å |
| 76 | E | 89.3 | Confident | 85.6 | Confident | 16 Ų | 16 | 31.2 Ų | 31.2 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | -176.2 | -60.8 | -74.2 | -166.8 | 0 | 0 | 112.3 | W25 E72 A73 C78 L79 L80 K130 R164 | W25-E76 HydrophobicContact CD2-CB 3.84Å; W25-E76 HydrophobicContact CD2-CG 4.27Å; W25-E76 VanDerWaalsContact CE2-CB 3.41Å; W25-E76 HydrophobicContact CE3-CB 4.48Å; W25-E76 HydrophobicContact CG-CB 4.2Å; W25-E76 HydrophobicContact CH2-CB 4.43Å; W25-E76 HydrophobicContact CH2-CG 3.85Å; W25-E76 HydrophobicContact CZ2-CB 3.77Å; W25-E76 HydrophobicContact CZ2-CG 3.53Å; W25-E76 HydrophobicContact CZ3-CG 4.32Å; E72-E76 HydrophobicContact CG-CG 4.25Å; E72-E76 VanDerWaalsContact O-CG 3.31Å; E72-E76 WeakPolarHBondContact O-CG 3.45Å; E72-E76 PolarHBondContact O-N 3.03Å; A73-E76 PolarHBondContact O-N 2.92Å; E76-C78 VanDerWaalsContact C-N 3.29Å; E76-C78 PolarHBondContact O-N 3.06Å; E76-L79 PolarHBondContact O-N 2.84Å; E76-L79 VanDerWaalsContact O-N 3.13Å; E76-L80 WeakPolarHBondContact O-CG 3.47Å; E76-L80 PolarHBondContact O-N 3.02Å; E76-K130 IonicContact OE1-NZ 3.12Å; E76-K130 PolarHBondContact OE1-NZ 3.38Å; E76-K130 IonicContact OE2-NZ 3.37Å; E76-K130 PolarHBondContact OE2-NZ 3.24Å; E76-R164 IonicContact OE1-CZ 2.75Å; E76-R164 IonicContact OE1-NH1 2.77Å; E76-R164 PolarHBondContact OE1-NH1 3.05Å |
| 77 | E | 87.4 | Confident | 85.5 | Confident | 44 Ų | 44 | 37.6 Ų | 37.6 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 171.2 | -74.6 | 178.9 | -179.8 | 0 | 0 | 111.8 | W25 A73 L79 L80 E81 | W25-E77 HydrophobicContact CB-CG 3.91Å; W25-E77 HydrophobicContact CG-CG 4.46Å; A73-E77 WeakPolarHBondContact O-CB 3.36Å; A73-E77 WeakPolarHBondContact O-CG 3.42Å; A73-E77 PolarHBondContact O-N 2.83Å; E77-L79 VanDerWaalsContact C-N 3.27Å; E77-L79 PolarHBondContact O-N 2.96Å; E77-L80 PolarHBondContact O-N 3.36Å; E77-E81 WeakPolarHBondContact O-CG 3.25Å; E77-E81 PolarHBondContact O-N 2.97Å |
| 78 | C | 87 | Confident | 85.2 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.6 | -32.7 | 177.1 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | M74 L75 E76 N82 Q97 R99 | M74-C78 VanDerWaalsContact O-CB 3.29Å; M74-C78 WeakPolarHBondContact O-CB 3.37Å; M74-C78 PolarHBondContact O-N 2.98Å; L75-C78 WeakPolarHBondContact O-CB 3.44Å; L75-C78 PolarHBondContact O-N 3.33Å; E76-C78 VanDerWaalsContact C-N 3.29Å; E76-C78 PolarHBondContact O-N 3.06Å; C78-N82 PolarHBondContact O-ND2 3.47Å; C78-Q97 PolarHBondContact SG-OE1 3.44Å; C78-R99 HydrophobicContact CB-CB 4.23Å |
| 79 | L | 86.8 | Confident | 84.8 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75.4 | -40.4 | 178.4 | -64.3 | 170.3 | 0 | 0 | 0 | 111.7 | L75 E76 E77 E81 N82 M83 L86 K130 V134 F243 | L75-L79 HydrophobicContact CD1-CD1 4.43Å; L75-L79 HydrophobicContact CG-CD1 4.24Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.27Å; L75-L79 PolarHBondContact O-N 3.46Å; E76-L79 PolarHBondContact O-N 2.84Å; E76-L79 VanDerWaalsContact O-N 3.13Å; E77-L79 VanDerWaalsContact C-N 3.27Å; E77-L79 PolarHBondContact O-N 2.96Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.22Å; L79-N82 CarbonylContact O-C 3.57Å; L79-N82 PolarHBondContact O-N 2.78Å; L79-N82 VanDerWaalsContact O-N 3.16Å; L79-M83 PolarHBondContact O-N 2.54Å; L79-L86 HydrophobicContact CB-CD1 4.26Å; L79-L86 HydrophobicContact CD2-CD1 3.75Å; L79-L86 HydrophobicContact CD2-CD2 4.34Å; L79-K130 HydrophobicContact CD1-CD 3.56Å; L79-K130 HydrophobicContact CD1-CG 4.25Å; L79-V134 HydrophobicContact CD2-CG1 4.16Å; L79-V134 HydrophobicContact CD2-CG2 3.64Å; L79-F243 HydrophobicContact CD1-CD2 4.43Å; L79-F243 HydrophobicContact CD1-CE2 3.98Å; L79-F243 HydrophobicContact CD2-CE2 4.4Å |
| 80 | L | 84.5 | Confident | 84.5 | Confident | 88 Ų | 88 | 45.1 Ų | 45.1 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61 | -40.4 | 176.9 | -71.2 | 171.5 | 0 | 0 | 0 | 112.1 | E76 E77 N82 M83 | E76-L80 WeakPolarHBondContact O-CG 3.47Å; E76-L80 PolarHBondContact O-N 3.02Å; E77-L80 PolarHBondContact O-N 3.36Å; L80-N82 VanDerWaalsContact C-N 3.25Å; L80-N82 PolarHBondContact O-N 3.15Å; L80-M83 WeakPolarHBondContact O-CG 3.43Å |
| 81 | E | 85.2 | Confident | 84.4 | Confident | 119 Ų | 119 | 46.9 Ų | 46.9 | 56% | 0.556 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -19.6 | 177.3 | -71.6 | 176.1 | 176.2 | 0 | 0 | 113.9 | E77 L79 R99 | E77-E81 WeakPolarHBondContact O-CG 3.25Å; E77-E81 PolarHBondContact O-N 2.97Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.22Å; E81-R99 IonicContact OE1-CZ 3.72Å; E81-R99 IonicContact OE1-NH1 2.84Å; E81-R99 PolarHBondContact OE1-NH1 3.2Å; E81-R99 IonicContact OE1-NH2 3.86Å; E81-R99 PolarHBondContact OE1-NH2 3.36Å; E81-R99 IonicContact OE2-CZ 3.12Å; E81-R99 IonicContact OE2-NH1 2.64Å; E81-R99 PolarHBondContact OE2-NH1 2.87Å |
| 82 | N | 84.9 | Confident | 84.2 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 17% | 0.171 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 28.1 | -170.4 | -64.8 | -85 | 0 | 0 | 0 | 113.3 | C78 L79 L80 D84 L85 L86 L92 Q97 | C78-N82 PolarHBondContact O-ND2 3.47Å; L79-N82 CarbonylContact O-C 3.57Å; L79-N82 PolarHBondContact O-N 2.78Å; L79-N82 VanDerWaalsContact O-N 3.16Å; L80-N82 VanDerWaalsContact C-N 3.25Å; L80-N82 PolarHBondContact O-N 3.15Å; N82-D84 VanDerWaalsContact C-N 3.29Å; N82-D84 PolarHBondContact O-N 3.34Å; N82-L85 HydrophobicContact CB-CD1 4.35Å; N82-L85 PolarHBondContact O-N 3.18Å; N82-L86 PolarHBondContact O-N 2.87Å; N82-L92 HydrophobicContact CB-CD1 4.3Å; N82-L92 HydrophobicContact CB-CD2 4.42Å; N82-Q97 PolarHBondContact ND2-NE2 3.29Å; N82-Q97 PolarHBondContact OD1-NE2 2.87Å; N82-Q97 VanDerWaalsContact OD1-NE2 3.12Å |
| 83 | M | 81.6 | Confident | 83.6 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 14% | 0.143 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.8 | -38 | -177.1 | -74 | -71.7 | -66.9 | 0 | 0 | 113.7 | L79 L80 L86 R87 F242 | L79-M83 PolarHBondContact O-N 2.54Å; L80-M83 WeakPolarHBondContact O-CG 3.43Å; M83-L86 PolarHBondContact O-N 3.39Å; M83-R87 WeakPolarHBondContact O-CG 3.34Å; M83-R87 PolarHBondContact O-N 3.46Å; M83-F242 HydrophobicContact CE-CB 3.85Å; M83-F242 HydrophobicContact SD-CB 3.61Å; M83-F242 PolarHBondContact SD-N 3.24Å |
| 84 | D | 79.7 | Confident | 82.9 | Confident | 118 Ų | 118 | 52.1 Ų | 52.1 | 63% | 0.631 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.5 | -34.9 | -179.1 | -62.9 | -35.9 | 0 | 0 | 0 | 112.8 | N82 L86 R87 S88 | N82-D84 VanDerWaalsContact C-N 3.29Å; N82-D84 PolarHBondContact O-N 3.34Å; D84-L86 VanDerWaalsContact C-N 3.35Å; D84-R87 PolarHBondContact O-N 2.89Å; D84-R87 IonicContact OD1-NH1 2.62Å; D84-S88 PolarHBondContact O-N 2.93Å; D84-S88 VanDerWaalsContact O-N 3.11Å; D84-S88 PolarHBondContact O-OG 2.96Å |
| 85 | L | 82.9 | Confident | 81.8 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 39% | 0.387 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 174.7 | -65.3 | -179.9 | 0 | 0 | 0 | 111.3 | N82 S88 S89 T90 L92 | N82-L85 HydrophobicContact CB-CD1 4.35Å; N82-L85 PolarHBondContact O-N 3.18Å; L85-S88 WeakPolarHBondContact CA-OG 3.41Å; L85-S88 PolarHBondContact O-N 3.42Å; L85-S88 PolarHBondContact O-OG 3.14Å; L85-S89 PolarHBondContact O-N 3.38Å; L85-T90 VanDerWaalsContact CA-OG1 3.31Å; L85-T90 WeakPolarHBondContact CA-OG1 3.5Å; L85-T90 WeakPolarHBondContact CB-OG1 3.37Å; L85-T90 PolarHBondContact O-N 3.11Å; L85-T90 PolarHBondContact O-OG1 3.2Å; L85-L92 HydrophobicContact CB-CD2 4.1Å; L85-L92 HydrophobicContact CD1-CD2 3.89Å |
| 86 | L | 80.8 | Confident | 80.7 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 175.5 | -65.6 | 171.9 | 0 | 0 | 0 | 111.9 | L79 N82 M83 D84 S88 S89 L92 V134 F242 | L79-L86 HydrophobicContact CB-CD1 4.26Å; L79-L86 HydrophobicContact CD2-CD1 3.75Å; L79-L86 HydrophobicContact CD2-CD2 4.34Å; N82-L86 PolarHBondContact O-N 2.87Å; M83-L86 PolarHBondContact O-N 3.39Å; D84-L86 VanDerWaalsContact C-N 3.35Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 3Å; L86-S89 PolarHBondContact O-N 3.4Å; L86-L92 HydrophobicContact CD2-CD1 4.32Å; L86-V134 HydrophobicContact CD2-CG1 4.19Å; L86-V134 HydrophobicContact CD2-CG2 4.14Å; L86-F242 HydrophobicContact CB-CD1 4.13Å; L86-F242 HydrophobicContact CB-CD2 3.93Å; L86-F242 HydrophobicContact CB-CE1 4.31Å; L86-F242 HydrophobicContact CB-CE2 4.13Å; L86-F242 HydrophobicContact CB-CG 3.93Å; L86-F242 HydrophobicContact CB-CZ 4.31Å; L86-F242 HydrophobicContact CD1-CB 4.07Å; L86-F242 HydrophobicContact CD1-CD1 4.34Å; L86-F242 HydrophobicContact CD1-CG 4.22Å |
| 87 | R | 80.4 | Confident | 80.4 | Confident | 142 Ų | 142 | 66.3 Ų | 66.3 | 54% | 0.536 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 175.6 | -74.5 | 174.9 | -179.9 | 166.2 | -1.4 | 112.7 | M83 D84 S89 F242 | M83-R87 WeakPolarHBondContact O-CG 3.34Å; M83-R87 PolarHBondContact O-N 3.46Å; D84-R87 PolarHBondContact O-N 2.89Å; D84-R87 IonicContact OD1-NH1 2.62Å; R87-S89 PolarHBondContact O-N 2.83Å; R87-F242 HydrophobicContact CG-CD2 4.18Å; R87-F242 HydrophobicContact CG-CE2 4.22Å |
| 88 | S | 77.8 | Confident | 80.1 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 48% | 0.483 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 6.1 | 175.9 | 54 | 0 | 0 | 0 | 0 | 114.1 | D84 L85 L86 T90 | D84-S88 PolarHBondContact O-N 2.93Å; D84-S88 VanDerWaalsContact O-N 3.11Å; D84-S88 PolarHBondContact O-OG 2.96Å; L85-S88 WeakPolarHBondContact CA-OG 3.41Å; L85-S88 PolarHBondContact O-N 3.42Å; L85-S88 PolarHBondContact O-OG 3.14Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 3Å; S88-T90 PolarHBondContact O-N 3.16Å; S88-T90 PolarHBondContact OG-OG1 2.93Å |
| 89 | S | 77.8 | Confident | 80 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 44% | 0.441 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 28.4 | -177.5 | -55.6 | 0 | 0 | 0 | 0 | 114 | L85 L86 R87 | L85-S89 PolarHBondContact O-N 3.38Å; L86-S89 PolarHBondContact O-N 3.4Å; R87-S89 PolarHBondContact O-N 2.83Å |
| 90 | T | 81.6 | Confident | 80 | Confident | 58 Ų | 58 | 71.4 Ų | 71.4 | 36% | 0.356 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 127.6 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | L85 S88 | L85-T90 VanDerWaalsContact CA-OG1 3.31Å; L85-T90 WeakPolarHBondContact CA-OG1 3.5Å; L85-T90 WeakPolarHBondContact CB-OG1 3.37Å; L85-T90 PolarHBondContact O-N 3.11Å; L85-T90 PolarHBondContact O-OG1 3.2Å; S88-T90 PolarHBondContact O-N 3.16Å; S88-T90 PolarHBondContact OG-OG1 2.93Å |
| 91 | P | 82.3 | Confident | 80.1 | Confident | 85 Ų | 85 | 70 Ų | 70 | 55% | 0.552 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 137.6 | -176.2 | 28.8 | -34 | 0 | 0 | 0 | 111.2 | V134 | P91-V134 WeakPolarHBondContact CA-O 2.97Š|
| 92 | L | 84.2 | Confident | 80.2 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 125.5 | 176.2 | -54.2 | 179.3 | 0 | 0 | 0 | 110.3 | N82 L85 L86 Q97 L100 V134 | N82-L92 HydrophobicContact CB-CD1 4.3Å; N82-L92 HydrophobicContact CB-CD2 4.42Å; L85-L92 HydrophobicContact CB-CD2 4.1Å; L85-L92 HydrophobicContact CD1-CD2 3.89Å; L86-L92 HydrophobicContact CD2-CD1 4.32Å; L92-Q97 VanDerWaalsContact CD2-NE2 3.31Å; L92-L100 HydrophobicContact CB-CD2 3.99Å; L92-V134 HydrophobicContact CB-CG1 3.74Å; L92-V134 HydrophobicContact CD1-CG1 3.16Å; L92-V134 HydrophobicContact CG-CG1 3.53Å; L92-V134 PolarHBondContact N-O 2.98Å |
| 93 | A | 78.4 | Confident | 80.3 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 140.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K95 T96 Q97 | A93-K95 PolarHBondContact O-N 3.11Å; A93-T96 PolarHBondContact O-N 3.28Å; A93-T96 VanDerWaalsContact O-N 3.09Å; A93-T96 PolarHBondContact O-OG1 3.42Å; A93-Q97 PolarHBondContact O-N 3.49Å |
| 94 | D | 71.6 | Confident | 80.7 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.3 | 177.9 | -71.4 | -13.9 | 0 | 0 | 0 | 113.3 | K104 Q135 | D94-K104 IonicContact OD1-NZ 2.81Å; D94-K104 IonicContact OD2-NZ 2.7Å; D94-K104 PolarHBondContact OD2-NZ 3.34Å; D94-Q135 PolarHBondContact OD1-NE2 3.05Å |
| 95 | K | 64.4 | Low | 81.1 | Confident | 210 Ų | 210 | 64.5 Ų | 64.5 | 91% | 0.913 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -28.1 | -179.3 | -64.9 | -176.9 | -179.9 | 179.8 | 0 | 113.6 | A93 | A93-K95 PolarHBondContact O-N 3.11Š|
| 96 | T | 67.2 | Low | 81.4 | Confident | 110 Ų | 110 | 64.8 Ų | 64.8 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -24.3 | -176.2 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | A93 | A93-T96 PolarHBondContact O-N 3.28Å; A93-T96 VanDerWaalsContact O-N 3.09Å; A93-T96 PolarHBondContact O-OG1 3.42Å |
| 97 | Q | 82.6 | Confident | 81.8 | Confident | 19 Ų | 19 | 64.3 Ų | 64.3 | 9% | 0.089 | 35% | 0.352 | C | S | . | . | trans | -122.2 | 99.4 | -176.4 | -67.3 | -177.8 | -10.6 | 0 | 0 | 112.4 | C78 N82 L92 A93 R99 L100 C101 | C78-Q97 PolarHBondContact SG-OE1 3.44Å; N82-Q97 PolarHBondContact ND2-NE2 3.29Å; N82-Q97 PolarHBondContact OD1-NE2 2.87Å; N82-Q97 VanDerWaalsContact OD1-NE2 3.12Å; L92-Q97 VanDerWaalsContact CD2-NE2 3.31Å; A93-Q97 PolarHBondContact O-N 3.49Å; Q97-R99 VanDerWaalsContact C-N 3.31Å; Q97-R99 PolarHBondContact O-N 3.42Å; Q97-L100 HydrophobicContact CB-CB 3.98Å; Q97-L100 PolarHBondContact O-N 2.87Å; Q97-C101 PolarHBondContact O-N 3.27Å | ||
| 98 | A | 81.7 | Confident | 82.3 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.6 | -32.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K102 | A98-K102 WeakPolarHBondContact O-CG 3.38Å; A98-K102 PolarHBondContact O-N 3.4Å; A98-K102 VanDerWaalsContact O-N 3.12Å |
| 99 | R | 83.4 | Confident | 82.7 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.9 | -44.3 | 179.2 | -65.4 | -162.8 | -171.2 | 108.5 | -12.3 | 112.1 | M74 C78 E81 Q97 C101 K102 A103 | M74-R99 HydrophobicContact CE-CB 4.19Å; M74-R99 HydrophobicContact CE-CG 4.24Å; C78-R99 HydrophobicContact CB-CB 4.23Å; E81-R99 IonicContact OE1-CZ 3.72Å; E81-R99 IonicContact OE1-NH1 2.84Å; E81-R99 PolarHBondContact OE1-NH1 3.2Å; E81-R99 IonicContact OE1-NH2 3.86Å; E81-R99 PolarHBondContact OE1-NH2 3.36Å; E81-R99 IonicContact OE2-CZ 3.12Å; E81-R99 IonicContact OE2-NH1 2.64Å; E81-R99 PolarHBondContact OE2-NH1 2.87Å; Q97-R99 VanDerWaalsContact C-N 3.31Å; Q97-R99 PolarHBondContact O-N 3.42Å; R99-C101 PolarHBondContact O-N 3.21Å; R99-K102 PolarHBondContact O-N 3.03Å; R99-A103 WeakPolarHBondContact O-CB 3.27Å; R99-A103 PolarHBondContact O-N 2.92Å |
| 100 | L | 87.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 175.4 | -176.6 | 65.8 | 0 | 0 | 0 | 111.8 | L75 L92 Q97 A103 K104 V131 V134 Q135 | L75-L100 HydrophobicContact CD1-CD1 3.6Å; L92-L100 HydrophobicContact CB-CD2 3.99Å; Q97-L100 HydrophobicContact CB-CB 3.98Å; Q97-L100 PolarHBondContact O-N 2.87Å; L100-A103 PolarHBondContact O-N 3.19Å; L100-K104 WeakPolarHBondContact O-CB 3.49Å; L100-K104 PolarHBondContact O-N 3.37Å; L100-V131 HydrophobicContact CD1-CG1 4.16Å; L100-V131 HydrophobicContact CD1-CG2 4.18Å; L100-V134 HydrophobicContact CD2-CG1 4.47Å; L100-Q135 HydrophobicContact CD2-CG 4.37Å |
| 101 | C | 86.9 | Confident | 83.4 | Confident | 58 Ų | 58 | 57.5 Ų | 57.5 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 112 | Q97 R99 G105 | Q97-C101 PolarHBondContact O-N 3.27Å; R99-C101 PolarHBondContact O-N 3.21Å; C101-G105 PolarHBondContact O-N 2.82Å |
| 102 | K | 86.4 | Confident | 83.6 | Confident | 124 Ų | 124 | 58.1 Ų | 58.1 | 54% | 0.539 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 176.3 | -74.3 | 176.7 | 178.8 | -176.3 | 0 | 112.3 | M74 A98 R99 K104 G105 Y106 | M74-K102 HydrophobicContact CE-CB 3.56Å; M74-K102 HydrophobicContact CE-CD 3.68Å; M74-K102 HydrophobicContact CE-CG 4.26Å; M74-K102 HydrophobicContact SD-CB 4.38Å; A98-K102 WeakPolarHBondContact O-CG 3.38Å; A98-K102 PolarHBondContact O-N 3.4Å; A98-K102 VanDerWaalsContact O-N 3.12Å; R99-K102 PolarHBondContact O-N 3.03Å; K102-K104 PolarHBondContact O-N 3.35Å; K102-G105 PolarHBondContact O-N 3.04Å; K102-G105 VanDerWaalsContact O-N 3.14Å; K102-Y106 VanDerWaalsContact O-CD2 3.32Å; K102-Y106 WeakPolarHBondContact O-CD2 3.33Å; K102-Y106 PolarHBondContact O-N 3.44Å |
| 103 | A | 88.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A71 M74 L75 R99 L100 G105 Y106 L107 | A71-A103 WeakPolarHBondContact O-CB 3.47Å; M74-A103 HydrophobicContact CB-CB 4.34Å; L75-A103 HydrophobicContact CB-CB 4.27Å; R99-A103 WeakPolarHBondContact O-CB 3.27Å; R99-A103 PolarHBondContact O-N 2.92Å; L100-A103 PolarHBondContact O-N 3.19Å; A103-G105 VanDerWaalsContact C-N 3.33Å; A103-G105 PolarHBondContact O-N 3.27Å; A103-Y106 PolarHBondContact O-N 2.95Å; A103-L107 WeakPolarHBondContact O-CG 3.37Å; A103-L107 PolarHBondContact O-N 3.08Å |
| 104 | K | 90.1 | Very high | 83.7 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 173.9 | -176 | -174.1 | -171.3 | 166.1 | 0 | 112.5 | D94 L100 K102 L107 N108 V131 | D94-K104 IonicContact OD1-NZ 2.81Å; D94-K104 IonicContact OD2-NZ 2.7Å; D94-K104 PolarHBondContact OD2-NZ 3.34Å; L100-K104 WeakPolarHBondContact O-CB 3.49Å; L100-K104 PolarHBondContact O-N 3.37Å; K102-K104 PolarHBondContact O-N 3.35Å; K104-L107 PolarHBondContact O-N 3.41Å; K104-N108 WeakPolarHBondContact O-CB 3.45Å; K104-N108 PolarHBondContact O-N 3.47Å; K104-N108 PolarHBondContact O-ND2 3.32Å; K104-V131 HydrophobicContact CB-CG1 4.14Å; K104-V131 HydrophobicContact CD-CG1 4.31Å; K104-V131 HydrophobicContact CG-CG1 4.16Å |
| 105 | G | 88 | Confident | 84.1 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.7 | -50.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | C101 K102 A103 N108 T109 | C101-G105 PolarHBondContact O-N 2.82Å; K102-G105 PolarHBondContact O-N 3.04Å; K102-G105 VanDerWaalsContact O-N 3.14Å; A103-G105 VanDerWaalsContact C-N 3.33Å; A103-G105 PolarHBondContact O-N 3.27Å; G105-N108 PolarHBondContact O-N 2.64Å; G105-T109 WeakPolarHBondContact O-CG2 3.44Å; G105-T109 PolarHBondContact O-N 3.44Å; G105-T109 VanDerWaalsContact O-N 3.09Å |
| 106 | Y | 88.2 | Confident | 84.9 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 31% | 0.314 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 177.4 | -65.3 | -43.3 | 0 | 0 | 0 | 112.3 | M70 A71 M74 K102 A103 N108 T109 I110 | M70-Y106 HydrophobicContact CE-CE2 4.47Å; A71-Y106 HydrophobicContact CB-CD2 4.49Å; M74-Y106 HydrophobicContact SD-CE2 4.05Å; K102-Y106 VanDerWaalsContact O-CD2 3.32Å; K102-Y106 WeakPolarHBondContact O-CD2 3.33Å; K102-Y106 PolarHBondContact O-N 3.44Å; A103-Y106 PolarHBondContact O-N 2.95Å; Y106-N108 VanDerWaalsContact C-N 3.33Å; Y106-N108 PolarHBondContact O-N 3.24Å; Y106-T109 PolarHBondContact O-N 3.5Å; Y106-T109 VanDerWaalsContact O-N 3.11Å; Y106-T109 PolarHBondContact O-OG1 2.97Å; Y106-I110 VanDerWaalsContact O-CG1 3.31Å; Y106-I110 WeakPolarHBondContact O-CG1 3.42Å; Y106-I110 PolarHBondContact O-N 3.29Å |
| 107 | L | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 178.9 | -66.1 | 170.6 | 0 | 0 | 0 | 112.5 | L68 A71 A103 K104 T109 I110 L111 A124 L127 M128 V131 | L68-L107 HydrophobicContact CD1-CD2 3.78Å; A71-L107 HydrophobicContact CB-CD2 3.97Å; A71-L107 HydrophobicContact CB-CG 3.89Å; A103-L107 WeakPolarHBondContact O-CG 3.37Å; A103-L107 PolarHBondContact O-N 3.08Å; K104-L107 PolarHBondContact O-N 3.41Å; L107-T109 VanDerWaalsContact C-N 3.34Å; L107-T109 PolarHBondContact O-N 2.93Å; L107-I110 PolarHBondContact O-N 3.37Å; L107-L111 WeakPolarHBondContact O-CB 3.19Å; L107-L111 VanDerWaalsContact O-CG 3.29Å; L107-L111 WeakPolarHBondContact O-CG 3.37Å; L107-L111 PolarHBondContact O-N 3.07Å; L107-A124 HydrophobicContact CD2-CB 4.22Å; L107-L127 HydrophobicContact CD1-CB 3.9Å; L107-L127 HydrophobicContact CD2-CB 4.16Å; L107-L127 HydrophobicContact CD2-CD1 4.33Å; L107-M128 HydrophobicContact CB-CE 3.36Å; L107-M128 HydrophobicContact CB-SD 4.41Å; L107-V131 HydrophobicContact CD1-CG2 4.22Å |
| 108 | N | 90.5 | Very high | 85.5 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 174.4 | -81.3 | -29.9 | 0 | 0 | 0 | 111.9 | K104 G105 Y106 S112 M128 | K104-N108 WeakPolarHBondContact O-CB 3.45Å; K104-N108 PolarHBondContact O-N 3.47Å; K104-N108 PolarHBondContact O-ND2 3.32Å; G105-N108 PolarHBondContact O-N 2.64Å; Y106-N108 VanDerWaalsContact C-N 3.33Å; Y106-N108 PolarHBondContact O-N 3.24Å; N108-S112 VanDerWaalsContact O-CB 3.32Å; N108-S112 WeakPolarHBondContact O-CB 3.35Å; N108-S112 PolarHBondContact O-N 2.93Å; N108-S112 PolarHBondContact O-OG 3.23Å; N108-M128 HydrophobicContact CB-CE 4.48Å; N108-M128 WeakPolarHBondContact OD1-CE 3.31Å |
| 109 | T | 87.5 | Confident | 85.5 | Confident | 55 Ų | 55 | 60.8 Ų | 60.8 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 177.4 | 59.7 | 0 | 0 | 0 | 0 | 111.8 | G105 Y106 L107 S112 R113 | G105-T109 WeakPolarHBondContact O-CG2 3.44Å; G105-T109 PolarHBondContact O-N 3.44Å; G105-T109 VanDerWaalsContact O-N 3.09Å; Y106-T109 PolarHBondContact O-N 3.5Å; Y106-T109 VanDerWaalsContact O-N 3.11Å; Y106-T109 PolarHBondContact O-OG1 2.97Å; L107-T109 VanDerWaalsContact C-N 3.34Å; L107-T109 PolarHBondContact O-N 2.93Å; T109-S112 PolarHBondContact O-N 3.05Å; T109-S112 PolarHBondContact O-OG 2.9Å; T109-R113 VanDerWaalsContact O-CG 3.29Å; T109-R113 WeakPolarHBondContact O-CG 3.3Å; T109-R113 PolarHBondContact O-N 3.12Å; T109-R113 VanDerWaalsContact O-N 3.13Å |
| 110 | I | 87.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -50.2 | 178.5 | -66.2 | 162.2 | 0 | 0 | 0 | 110.7 | T67 L68 Y106 L107 S112 R113 G114 L116 A124 | T67-I110 WeakPolarHBondContact OG1-CD1 3.33Å; L68-I110 HydrophobicContact CB-CD1 3.98Å; L68-I110 HydrophobicContact CD1-CD1 4.32Å; Y106-I110 VanDerWaalsContact O-CG1 3.31Å; Y106-I110 WeakPolarHBondContact O-CG1 3.42Å; Y106-I110 PolarHBondContact O-N 3.29Å; L107-I110 PolarHBondContact O-N 3.37Å; I110-S112 VanDerWaalsContact C-N 3.29Å; I110-S112 PolarHBondContact O-N 3.38Å; I110-R113 PolarHBondContact O-N 3.05Å; I110-G114 PolarHBondContact O-N 3.43Å; I110-L116 HydrophobicContact CG2-CD1 3.39Å; I110-L116 HydrophobicContact CG2-CG 4.27Å; I110-A124 HydrophobicContact CG2-CB 4.29Å |
| 111 | L | 86.6 | Confident | 85.4 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 28% | 0.277 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -31.4 | -179.3 | -68.7 | 174.6 | 0 | 0 | 0 | 112.6 | L107 A124 L125 M128 | L107-L111 WeakPolarHBondContact O-CB 3.19Å; L107-L111 VanDerWaalsContact O-CG 3.29Å; L107-L111 WeakPolarHBondContact O-CG 3.37Å; L107-L111 PolarHBondContact O-N 3.07Å; L111-A124 HydrophobicContact CD2-CB 3.9Å; L111-A124 HydrophobicContact CG-CB 4.37Å; L111-L125 HydrophobicContact CD1-CD2 4.04Å; L111-L125 HydrophobicContact CD2-CD2 3.68Å; L111-L125 HydrophobicContact CD2-CG 3.83Å; L111-M128 HydrophobicContact CD1-CB 4.19Å; L111-M128 HydrophobicContact CD1-CE 3.84Å; L111-M128 HydrophobicContact CD1-CG 4.3Å |
| 112 | S | 86 | Confident | 85.5 | Confident | 97 Ų | 97 | 59.7 Ų | 59.7 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -72.9 | -30 | 175.4 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | N108 T109 I110 | N108-S112 VanDerWaalsContact O-CB 3.32Å; N108-S112 WeakPolarHBondContact O-CB 3.35Å; N108-S112 PolarHBondContact O-N 2.93Å; N108-S112 PolarHBondContact O-OG 3.23Å; T109-S112 PolarHBondContact O-N 3.05Å; T109-S112 PolarHBondContact O-OG 2.9Å; I110-S112 VanDerWaalsContact C-N 3.29Å; I110-S112 PolarHBondContact O-N 3.38Å |
| 113 | R | 84 | Confident | 85.6 | Confident | 130 Ų | 130 | 54 Ų | 54 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -84.2 | -36.7 | -178.2 | -72.5 | 173.9 | -178.5 | -177.8 | 1.8 | 112.7 | D64 T109 I110 R115 | D64-R113 IonicContact OD1-CZ 2.84Å; D64-R113 IonicContact OD1-NH1 3.62Å; D64-R113 PolarHBondContact OD1-NH1 3.45Å; T109-R113 VanDerWaalsContact O-CG 3.29Å; T109-R113 WeakPolarHBondContact O-CG 3.3Å; T109-R113 PolarHBondContact O-N 3.12Å; T109-R113 VanDerWaalsContact O-N 3.13Å; I110-R113 PolarHBondContact O-N 3.05Å; R113-R115 VanDerWaalsContact C-N 3.28Å; R113-R115 HydrophobicContact CB-CG 4.23Å; R113-R115 PolarHBondContact O-N 3.29Å |
| 114 | G | 80.8 | Confident | 85.6 | Confident | 44 Ų | 44 | 54 Ų | 54 | 45% | 0.454 | 29% | 0.289 | S | S | . | . | trans | 63.9 | 24.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | I110 | I110-G114 PolarHBondContact O-N 3.43Š| ||
| 115 | R | 79.4 | Confident | 85.6 | Confident | 134 Ų | 134 | 53.6 Ų | 53.6 | 51% | 0.506 | 29% | 0.288 | S | S | . | . | trans | -88.1 | -11.7 | -173.3 | -64.1 | 176.3 | -178.3 | -177 | -2.1 | 114.7 | D64 R113 | D64-R115 WeakPolarHBondContact OD2-CD 3.47Å; R113-R115 VanDerWaalsContact C-N 3.28Å; R113-R115 HydrophobicContact CB-CG 4.23Å; R113-R115 PolarHBondContact O-N 3.29Å | ||
| 116 | L | 80.9 | Confident | 85.8 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -78.3 | 161.3 | -179.3 | -71.5 | 179 | 0 | 0 | 0 | 111.8 | A61 D64 L68 I110 L121 | A61-L116 WeakPolarHBondContact O-CD2 3.29Å; D64-L116 HydrophobicContact CB-CD2 3.91Å; D64-L116 HydrophobicContact CB-CG 4.1Å; L68-L116 HydrophobicContact CD2-CD1 4.25Å; I110-L116 HydrophobicContact CG2-CD1 3.39Å; I110-L116 HydrophobicContact CG2-CG 4.27Å; L116-L121 HydrophobicContact CB-CD2 3.96Å; L116-L121 HydrophobicContact CB-CG 3.88Å; L116-L121 WeakPolarHBondContact O-CD1 3.09Å |
| 117 | T | 81.3 | Confident | 85.9 | Confident | 73 Ų | 73 | 48.7 Ų | 48.7 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | trans | -62.2 | 154.1 | 171.9 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | R119 Y120 L121 | T117-R119 PolarHBondContact O-N 3.44Å; T117-R119 VanDerWaalsContact O-N 3.08Å; T117-Y120 PolarHBondContact O-N 2.87Å; T117-Y120 WeakPolarHBondContact OG1-CD2 3.46Å; T117-L121 PolarHBondContact O-N 3.5Å | ||
| 118 | P | 81.9 | Confident | 86.1 | Confident | 101 Ų | 101 | 48.8 Ų | 48.8 | 66% | 0.656 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -52.2 | -35.3 | 179.6 | -28.5 | 35.4 | 0 | 0 | 0 | 113.4 | L121 N122 | P118-L121 PolarHBondContact O-N 2.96Å; P118-N122 WeakPolarHBondContact O-CB 3.42Å; P118-N122 PolarHBondContact O-N 3.29Å; P118-N122 PolarHBondContact O-ND2 2.66Å; P118-N122 PolarHBondContact O-OD1 2.9Å |
| 119 | R | 81.2 | Confident | 86.1 | Confident | 80 Ų | 80 | 44.9 Ų | 44.9 | 30% | 0.302 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -54 | 175.1 | -177.5 | 173.3 | 171.5 | -158.3 | -15.4 | 112.6 | E17 T117 L121 N122 E123 Y161 H162 | E17-R119 IonicContact OE1-NH2 2.87Å; T117-R119 PolarHBondContact O-N 3.44Å; T117-R119 VanDerWaalsContact O-N 3.08Å; R119-L121 PolarHBondContact O-N 3.47Å; R119-N122 WeakPolarHBondContact O-CB 3.4Å; R119-N122 PolarHBondContact O-N 2.95Å; R119-E123 PolarHBondContact O-N 3.34Å; R119-Y161 PolarHBondContact NH2-OH 3.25Å; R119-H162 PolarHBondContact NE-CE1 3.19Å; R119-H162 PolarHBondContact NE-NE2 2.96Å; R119-H162 PolarHBondContact NH2-CE1 3.22Å; R119-H162 PolarHBondContact NH2-NE2 3.03Å |
| 120 | Y | 84.1 | Confident | 86.3 | Confident | 47 Ų | 47 | 42.4 Ų | 42.4 | 18% | 0.184 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73 | -26.3 | -179.7 | -60.8 | -48.1 | 0 | 0 | 0 | 113.2 | Y65 L68 T117 E123 A124 | Y65-Y120 HydrophobicContact CD2-CD1 4.02Å; Y65-Y120 AromaticContact CD2-CD2 3.95Å; Y65-Y120 HydrophobicContact CD2-CD2 3.95Å; Y65-Y120 HydrophobicContact CD2-CE1 4.07Å; Y65-Y120 AromaticContact CD2-CE2 3.99Å; Y65-Y120 HydrophobicContact CD2-CE2 3.99Å; Y65-Y120 AromaticContact CD2-CG 3.98Å; Y65-Y120 HydrophobicContact CD2-CG 3.98Å; Y65-Y120 AromaticContact CE2-CD1 3.61Å; Y65-Y120 HydrophobicContact CE2-CD1 3.61Å; Y65-Y120 HydrophobicContact CE2-CD2 4.2Å; Y65-Y120 AromaticContact CE2-CE1 3.33Å; Y65-Y120 HydrophobicContact CE2-CE1 3.33Å; Y65-Y120 AromaticContact CE2-CE2 3.95Å; Y65-Y120 HydrophobicContact CE2-CE2 3.95Å; Y65-Y120 HydrophobicContact CE2-CG 4.06Å; Y65-Y120 AromaticContact CE2-CZ 3.51Å; Y65-Y120 AromaticContact CZ-CZ 3.98Å; L68-Y120 HydrophobicContact CD2-CD1 4.5Å; T117-Y120 PolarHBondContact O-N 2.87Å; T117-Y120 WeakPolarHBondContact OG1-CD2 3.46Å; Y120-E123 WeakPolarHBondContact CD1-OE1 3.43Å; Y120-E123 PolarHBondContact O-N 3.49Å; Y120-A124 PolarHBondContact O-N 3.36Å |
| 121 | L | 85.5 | Confident | 86.5 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 20% | 0.204 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 169.4 | -73.3 | 174.4 | 0 | 0 | 0 | 111.6 | L116 T117 P118 R119 A124 L125 | L116-L121 HydrophobicContact CB-CD2 3.96Å; L116-L121 HydrophobicContact CB-CG 3.88Å; L116-L121 WeakPolarHBondContact O-CD1 3.09Å; T117-L121 PolarHBondContact O-N 3.5Å; P118-L121 PolarHBondContact O-N 2.96Å; R119-L121 PolarHBondContact O-N 3.47Å; L121-A124 PolarHBondContact O-N 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.35Å; L121-L125 PolarHBondContact O-N 3.38Å |
| 122 | N | 87.6 | Confident | 86.7 | Confident | 41 Ų | 41 | 40.7 Ų | 40.7 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 173.8 | -71.8 | -13 | 0 | 0 | 0 | 111 | P118 R119 A124 L125 L126 V148 L153 | P118-N122 WeakPolarHBondContact O-CB 3.42Å; P118-N122 PolarHBondContact O-N 3.29Å; P118-N122 PolarHBondContact O-ND2 2.66Å; P118-N122 PolarHBondContact O-OD1 2.9Å; R119-N122 WeakPolarHBondContact O-CB 3.4Å; R119-N122 PolarHBondContact O-N 2.95Å; N122-A124 VanDerWaalsContact C-N 3.35Å; N122-A124 PolarHBondContact O-N 3.37Å; N122-L125 WeakPolarHBondContact O-CB 3.47Å; N122-L125 PolarHBondContact O-N 3.28Å; N122-L126 WeakPolarHBondContact O-CG 3.27Å; N122-L126 PolarHBondContact O-N 3.2Å; N122-V148 HydrophobicContact CB-CG1 3.97Å; N122-L153 HydrophobicContact CB-CD2 4.05Å |
| 123 | E | 88.7 | Confident | 87 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.023 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.8 | -46.4 | 172.4 | -69.1 | 177.3 | -143.8 | 0 | 0 | 112 | R20 L68 R119 Y120 L125 L126 L127 H162 L165 | R20-E123 IonicContact CZ-OE2 3.02Å; R20-E123 IonicContact NH1-OE2 3.64Å; R20-E123 PolarHBondContact NH1-OE2 3.27Å; R20-E123 IonicContact NH2-OE2 2.94Å; R20-E123 PolarHBondContact NH2-OE2 3.44Å; L68-E123 HydrophobicContact CD2-CB 4.43Å; R119-E123 PolarHBondContact O-N 3.34Å; Y120-E123 WeakPolarHBondContact CD1-OE1 3.43Å; Y120-E123 PolarHBondContact O-N 3.49Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3.33Å; E123-L126 PolarHBondContact O-N 3.31Å; E123-L127 WeakPolarHBondContact O-CG 3.42Å; E123-L127 PolarHBondContact O-N 2.96Å; E123-H162 IonicContact OE1-CE1 2.71Å; E123-H162 PolarHBondContact OE1-CE1 3.1Å; E123-H162 IonicContact OE1-NE2 3.13Å; E123-H162 PolarHBondContact OE1-NE2 2.96Å; E123-L165 HydrophobicContact CG-CD1 4.11Å |
| 124 | A | 89.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L68 L107 I110 L111 Y120 L121 N122 M128 | L68-A124 HydrophobicContact CD1-CB 3.74Å; L107-A124 HydrophobicContact CD2-CB 4.22Å; I110-A124 HydrophobicContact CG2-CB 4.29Å; L111-A124 HydrophobicContact CD2-CB 3.9Å; L111-A124 HydrophobicContact CG-CB 4.37Å; Y120-A124 PolarHBondContact O-N 3.36Å; L121-A124 PolarHBondContact O-N 3.26Å; N122-A124 VanDerWaalsContact C-N 3.35Å; N122-A124 PolarHBondContact O-N 3.37Å; A124-M128 WeakPolarHBondContact O-CB 3.46Å; A124-M128 PolarHBondContact O-N 3.09Å |
| 125 | L | 90.6 | Very high | 87.6 | Confident | 16 Ų | 16 | 29.8 Ų | 29.8 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.2 | -39.8 | 174.8 | -72.4 | 171.7 | 0 | 0 | 0 | 112.2 | L111 L121 N122 E123 M128 A129 M144 V148 | L111-L125 HydrophobicContact CD1-CD2 4.04Å; L111-L125 HydrophobicContact CD2-CD2 3.68Å; L111-L125 HydrophobicContact CD2-CG 3.83Å; L121-L125 WeakPolarHBondContact O-CG 3.35Å; L121-L125 PolarHBondContact O-N 3.38Å; N122-L125 WeakPolarHBondContact O-CB 3.47Å; N122-L125 PolarHBondContact O-N 3.28Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3.33Å; L125-M128 PolarHBondContact O-N 3.39Å; L125-A129 PolarHBondContact O-N 2.96Å; L125-M144 HydrophobicContact CD2-SD 4.1Å; L125-V148 HydrophobicContact CB-CG2 3.43Å; L125-V148 VanDerWaalsContact CB-CG2 3.43Å; L125-V148 HydrophobicContact CD1-CG2 3.73Å; L125-V148 HydrophobicContact CG-CG2 4.23Å |
| 126 | L | 90.6 | Very high | 87.9 | Confident | 12 Ų | 12 | 24.6 Ų | 24.6 | 6% | 0.063 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.7 | -42.7 | 176.3 | -64.8 | -176.3 | 0 | 0 | 0 | 111.9 | N122 E123 M128 A129 K130 V148 L150 L153 L165 A169 | N122-L126 WeakPolarHBondContact O-CG 3.27Å; N122-L126 PolarHBondContact O-N 3.2Å; E123-L126 PolarHBondContact O-N 3.31Å; L126-M128 VanDerWaalsContact C-N 3.31Å; L126-M128 PolarHBondContact O-N 3.47Å; L126-A129 WeakPolarHBondContact O-CB 3.48Å; L126-A129 PolarHBondContact O-N 3.46Å; L126-K130 PolarHBondContact O-N 2.95Å; L126-V148 HydrophobicContact CD2-CB 4.22Å; L126-V148 HydrophobicContact CD2-CG1 4.05Å; L126-V148 HydrophobicContact CD2-CG2 4.01Å; L126-V148 HydrophobicContact CG-CG1 4.36Å; L126-V148 HydrophobicContact CG-CG2 4.39Å; L126-L150 HydrophobicContact CD2-CD2 3.73Å; L126-L153 HydrophobicContact CD1-CD1 4.09Å; L126-L165 HydrophobicContact CD1-CB 4.41Å; L126-A169 HydrophobicContact CD1-CB 4.26Å; L126-A169 HydrophobicContact CD2-CB 3.67Å; L126-A169 HydrophobicContact CG-CB 4.46Å |
| 127 | L | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.7 | -38.5 | 174.1 | -66.1 | 174.9 | 0 | 0 | 0 | 111.4 | L68 E72 L75 L107 E123 A129 K130 V131 L165 | L68-L127 HydrophobicContact CD1-CD1 3.95Å; E72-L127 HydrophobicContact CB-CD1 3.77Å; E72-L127 HydrophobicContact CB-CD2 4.43Å; E72-L127 HydrophobicContact CG-CD1 4.08Å; E72-L127 HydrophobicContact CG-CD2 3.95Å; L75-L127 HydrophobicContact CD2-CB 4.46Å; L75-L127 HydrophobicContact CD2-CD2 4.32Å; L107-L127 HydrophobicContact CD1-CB 3.9Å; L107-L127 HydrophobicContact CD2-CB 4.16Å; L107-L127 HydrophobicContact CD2-CD1 4.33Å; E123-L127 WeakPolarHBondContact O-CG 3.42Å; E123-L127 PolarHBondContact O-N 2.96Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-K130 WeakPolarHBondContact O-CB 3.5Å; L127-K130 PolarHBondContact O-N 3.22Å; L127-V131 WeakPolarHBondContact O-CG2 3.49Å; L127-V131 PolarHBondContact O-N 3.42Å; L127-L165 HydrophobicContact CD2-CD2 4.12Å |
| 128 | M | 91.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.4 | -37.4 | 173.4 | -169.3 | 64.8 | 82 | 0 | 0 | 112.2 | L107 N108 L111 A124 L125 L126 K130 V131 H132 | L107-M128 HydrophobicContact CB-CE 3.36Å; L107-M128 HydrophobicContact CB-SD 4.41Å; N108-M128 HydrophobicContact CB-CE 4.48Å; N108-M128 WeakPolarHBondContact OD1-CE 3.31Å; L111-M128 HydrophobicContact CD1-CB 4.19Å; L111-M128 HydrophobicContact CD1-CE 3.84Å; L111-M128 HydrophobicContact CD1-CG 4.3Å; A124-M128 WeakPolarHBondContact O-CB 3.46Å; A124-M128 PolarHBondContact O-N 3.09Å; L125-M128 PolarHBondContact O-N 3.39Å; L126-M128 VanDerWaalsContact C-N 3.31Å; L126-M128 PolarHBondContact O-N 3.47Å; M128-K130 VanDerWaalsContact C-N 3.3Å; M128-K130 PolarHBondContact O-N 3.45Å; M128-V131 PolarHBondContact O-N 3.37Å; M128-H132 PolarHBondContact O-CD2 2.9Å; M128-H132 PolarHBondContact O-N 3.28Å |
| 129 | A | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L125 L126 L127 H132 Y133 A141 M144 C145 | L125-A129 PolarHBondContact O-N 2.96Å; L126-A129 WeakPolarHBondContact O-CB 3.48Å; L126-A129 PolarHBondContact O-N 3.46Å; L127-A129 VanDerWaalsContact C-N 3.35Å; A129-H132 PolarHBondContact O-N 3.49Å; A129-Y133 PolarHBondContact O-N 3.09Å; A129-A141 WeakPolarHBondContact O-CB 3.37Å; A129-M144 HydrophobicContact CB-CB 3.78Å; A129-C145 VanDerWaalsContact CB-SG 3.58Å |
| 130 | K | 92 | Very high | 89.3 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 174.4 | -167.5 | -177.7 | -61.8 | -170.2 | 0 | 111.8 | L75 E76 L79 L126 L127 M128 H132 Y133 V134 E168 I172 F243 | L75-K130 HydrophobicContact CD2-CB 4.29Å; L75-K130 HydrophobicContact CD2-CD 4.02Å; L75-K130 HydrophobicContact CD2-CG 4.37Å; L75-K130 HydrophobicContact CG-CD 4.45Å; E76-K130 IonicContact OE1-NZ 3.12Å; E76-K130 PolarHBondContact OE1-NZ 3.38Å; E76-K130 IonicContact OE2-NZ 3.37Å; E76-K130 PolarHBondContact OE2-NZ 3.24Å; L79-K130 HydrophobicContact CD1-CD 3.56Å; L79-K130 HydrophobicContact CD1-CG 4.25Å; L126-K130 PolarHBondContact O-N 2.95Å; L127-K130 WeakPolarHBondContact O-CB 3.5Å; L127-K130 PolarHBondContact O-N 3.22Å; M128-K130 VanDerWaalsContact C-N 3.3Å; M128-K130 PolarHBondContact O-N 3.45Å; K130-H132 PolarHBondContact O-N 2.92Å; K130-Y133 PolarHBondContact O-N 3.24Å; K130-V134 WeakPolarHBondContact O-CB 3.35Å; K130-V134 WeakPolarHBondContact O-CG2 3.44Å; K130-V134 PolarHBondContact O-N 3.24Å; K130-V134 VanDerWaalsContact O-N 3.09Å; K130-E168 VanDerWaalsContact CE-OE2 3.28Å; K130-E168 WeakPolarHBondContact CE-OE2 3.46Å; K130-E168 IonicContact NZ-OE1 3.78Å; K130-E168 PolarHBondContact NZ-OE1 2.87Å; K130-E168 IonicContact NZ-OE2 3.34Å; K130-E168 PolarHBondContact NZ-OE2 2.91Å; K130-I172 HydrophobicContact CB-CD1 3.81Å; K130-I172 HydrophobicContact CG-CD1 3.94Å; K130-F243 HydrophobicContact CD-CD2 4.07Å; K130-F243 HydrophobicContact CD-CE2 3.85Å; K130-F243 HydrophobicContact CG-CD2 4.22Å; K130-F243 HydrophobicContact CG-CE2 3.61Å; K130-F243 HydrophobicContact CG-CZ 4.03Å |
| 131 | V | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 174.9 | 171 | 0 | 0 | 0 | 0 | 111.6 | L75 L100 K104 L107 L127 M128 V134 Q135 | L75-V131 HydrophobicContact CD1-CG2 3.79Å; L75-V131 HydrophobicContact CD2-CG2 3.81Å; L75-V131 HydrophobicContact CG-CG2 4.44Å; L100-V131 HydrophobicContact CD1-CG1 4.16Å; L100-V131 HydrophobicContact CD1-CG2 4.18Å; K104-V131 HydrophobicContact CB-CG1 4.14Å; K104-V131 HydrophobicContact CD-CG1 4.31Å; K104-V131 HydrophobicContact CG-CG1 4.16Å; L107-V131 HydrophobicContact CD1-CG2 4.22Å; L127-V131 WeakPolarHBondContact O-CG2 3.49Å; L127-V131 PolarHBondContact O-N 3.42Å; M128-V131 PolarHBondContact O-N 3.37Å; V131-V134 PolarHBondContact O-N 2.87Å; V131-Q135 WeakPolarHBondContact O-CG 3.33Å; V131-Q135 PolarHBondContact O-N 3.47Å; V131-Q135 VanDerWaalsContact O-N 3.08Å |
| 132 | H | 91.2 | Very high | 89.7 | Confident | 17 Ų | 17 | 31 Ų | 31 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.4 | -38.6 | -179.9 | -73.8 | -35.5 | 0 | 0 | 0 | 113 | M128 A129 K130 Q135 G136 R137 D140 A141 | M128-H132 PolarHBondContact O-CD2 2.9Å; M128-H132 PolarHBondContact O-N 3.28Å; A129-H132 PolarHBondContact O-N 3.49Å; K130-H132 PolarHBondContact O-N 2.92Å; H132-Q135 PolarHBondContact ND1-OE1 3.36Å; H132-Q135 PolarHBondContact O-N 2.78Å; H132-G136 PolarHBondContact O-N 3.37Å; H132-R137 HydrophobicContact CB-CB 4.3Å; H132-R137 CarbonylContact O-C 3.59Å; H132-R137 WeakPolarHBondContact O-CA 3.36Å; H132-R137 WeakPolarHBondContact O-CB 3.48Å; H132-R137 PolarHBondContact O-N 2.86Å; H132-D140 HydrophobicContact CB-CB 4.23Å; H132-A141 HydrophobicContact CB-CB 3.95Å |
| 133 | Y | 90.4 | Very high | 89.7 | Confident | 15 Ų | 15 | 30.7 Ų | 30.7 | 6% | 0.059 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 175.7 | 179.4 | -89.7 | 0 | 0 | 0 | 111.2 | A129 K130 Q135 G136 Y138 I172 L175 H179 F242 F243 | A129-Y133 PolarHBondContact O-N 3.09Å; K130-Y133 PolarHBondContact O-N 3.24Å; Y133-Q135 VanDerWaalsContact C-N 3.27Å; Y133-Q135 PolarHBondContact O-N 3.06Å; Y133-G136 WeakPolarHBondContact O-CA 3.16Å; Y133-G136 PolarHBondContact O-N 3.02Å; Y133-Y138 AromaticContact CD2-CD1 3.7Å; Y133-Y138 HydrophobicContact CD2-CD1 3.7Å; Y133-Y138 AromaticContact CD2-CE1 3.94Å; Y133-Y138 HydrophobicContact CD2-CE1 3.94Å; Y133-Y138 AromaticContact CE2-CD1 3.75Å; Y133-Y138 HydrophobicContact CE2-CD1 3.75Å; Y133-Y138 AromaticContact CE2-CE1 3.7Å; Y133-Y138 HydrophobicContact CE2-CE1 3.7Å; Y133-I172 HydrophobicContact CD2-CG2 4.11Å; Y133-I172 HydrophobicContact CG-CG2 4.13Å; Y133-L175 HydrophobicContact CE2-CB 3.56Å; Y133-L175 HydrophobicContact CE2-CD1 4.4Å; Y133-L175 WeakPolarHBondContact OH-CD1 3.37Å; Y133-H179 PolarHBondContact OH-NE2 3.24Å; Y133-F242 HydrophobicContact CE1-CE1 4.42Å; Y133-F243 AromaticContact CD1-CE1 3.52Å; Y133-F243 HydrophobicContact CD1-CE1 3.52Å; Y133-F243 AromaticContact CD1-CZ 3.66Å; Y133-F243 HydrophobicContact CD1-CZ 3.66Å; Y133-F243 AromaticContact CE1-CE1 3.64Å; Y133-F243 HydrophobicContact CE1-CE1 3.64Å; Y133-F243 HydrophobicContact CE1-CZ 4.07Å; Y133-F243 HydrophobicContact CG-CE1 4.35Å |
| 134 | V | 89.1 | Confident | 89.7 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.3 | -30 | -178.7 | 172.4 | 0 | 0 | 0 | 0 | 112.3 | L79 L86 P91 L92 L100 K130 V131 G136 F243 | L79-V134 HydrophobicContact CD2-CG1 4.16Å; L79-V134 HydrophobicContact CD2-CG2 3.64Å; L86-V134 HydrophobicContact CD2-CG1 4.19Å; L86-V134 HydrophobicContact CD2-CG2 4.14Å; P91-V134 WeakPolarHBondContact CA-O 2.97Å; L92-V134 HydrophobicContact CB-CG1 3.74Å; L92-V134 HydrophobicContact CD1-CG1 3.16Å; L92-V134 HydrophobicContact CG-CG1 3.53Å; L92-V134 PolarHBondContact N-O 2.98Å; L100-V134 HydrophobicContact CD2-CG1 4.47Å; K130-V134 WeakPolarHBondContact O-CB 3.35Å; K130-V134 WeakPolarHBondContact O-CG2 3.44Å; K130-V134 PolarHBondContact O-N 3.24Å; K130-V134 VanDerWaalsContact O-N 3.09Å; V131-V134 PolarHBondContact O-N 2.87Å; V134-G136 PolarHBondContact O-N 3.06Å; V134-F243 HydrophobicContact CG2-CE2 4.23Å; V134-F243 HydrophobicContact CG2-CZ 3.87Å |
| 135 | Q | 88.8 | Confident | 89.5 | Confident | 22 Ų | 22 | 32.3 Ų | 32.3 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.2 | 171.9 | -74.3 | 166.3 | -8.6 | 0 | 0 | 114.1 | D94 L100 V131 H132 Y133 R137 | D94-Q135 PolarHBondContact OD1-NE2 3.05Å; L100-Q135 HydrophobicContact CD2-CG 4.37Å; V131-Q135 WeakPolarHBondContact O-CG 3.33Å; V131-Q135 PolarHBondContact O-N 3.47Å; V131-Q135 VanDerWaalsContact O-N 3.08Å; H132-Q135 PolarHBondContact ND1-OE1 3.36Å; H132-Q135 PolarHBondContact O-N 2.78Å; Y133-Q135 VanDerWaalsContact C-N 3.27Å; Y133-Q135 PolarHBondContact O-N 3.06Å; Q135-R137 VanDerWaalsContact C-N 3.33Å; Q135-R137 HydrophobicContact CB-CG 4.37Å |
| 136 | G | 85.5 | Confident | 89.3 | Confident | 26 Ų | 26 | 34.7 Ų | 34.7 | 27% | 0.268 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 11.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H132 Y133 V134 Y138 | H132-G136 PolarHBondContact O-N 3.37Å; Y133-G136 WeakPolarHBondContact O-CA 3.16Å; Y133-G136 PolarHBondContact O-N 3.02Å; V134-G136 PolarHBondContact O-N 3.06Å; G136-Y138 WeakPolarHBondContact O-CD2 3.43Å; G136-Y138 PolarHBondContact O-N 3.07Å |
| 137 | R | 89.4 | Confident | 89 | Confident | 121 Ų | 121 | 42.3 Ų | 42.3 | 46% | 0.457 | 21% | 0.205 | S | C | . | . | trans | -92 | 68.5 | 178 | -60.4 | -174.5 | -171.7 | -175.9 | 0.1 | 111 | H132 Q135 R139 D140 A141 | H132-R137 HydrophobicContact CB-CB 4.3Å; H132-R137 CarbonylContact O-C 3.59Å; H132-R137 WeakPolarHBondContact O-CA 3.36Å; H132-R137 WeakPolarHBondContact O-CB 3.48Å; H132-R137 PolarHBondContact O-N 2.86Å; Q135-R137 VanDerWaalsContact C-N 3.33Å; Q135-R137 HydrophobicContact CB-CG 4.37Å; R137-R139 PolarHBondContact O-N 3.14Å; R137-D140 HydrophobicContact CB-CB 4.21Å; R137-D140 WeakPolarHBondContact CD-OD2 3.39Å; R137-D140 PolarHBondContact O-N 2.68Å; R137-A141 PolarHBondContact O-N 2.96Å; R137-A141 VanDerWaalsContact O-N 3.1Å | ||
| 138 | Y | 88.6 | Confident | 88.6 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.6 | -37 | -172.7 | -52.8 | -62.1 | 0 | 0 | 0 | 114.1 | Y133 G136 A141 Q142 H179 | Y133-Y138 AromaticContact CD2-CD1 3.7Å; Y133-Y138 HydrophobicContact CD2-CD1 3.7Å; Y133-Y138 AromaticContact CD2-CE1 3.94Å; Y133-Y138 HydrophobicContact CD2-CE1 3.94Å; Y133-Y138 AromaticContact CE2-CD1 3.75Å; Y133-Y138 HydrophobicContact CE2-CD1 3.75Å; Y133-Y138 AromaticContact CE2-CE1 3.7Å; Y133-Y138 HydrophobicContact CE2-CE1 3.7Å; G136-Y138 WeakPolarHBondContact O-CD2 3.43Å; G136-Y138 PolarHBondContact O-N 3.07Å; Y138-A141 PolarHBondContact O-N 2.96Å; Y138-Q142 PolarHBondContact O-N 3.23Å; Y138-H179 HydrophobicContact CD1-CB 4.11Å; Y138-H179 HydrophobicContact CD2-CB 3.7Å; Y138-H179 HydrophobicContact CE1-CB 4.13Å; Y138-H179 AromaticContact CE1-CD2 3.81Å; Y138-H179 HydrophobicContact CE2-CB 3.72Å; Y138-H179 HydrophobicContact CG-CB 3.9Å; Y138-H179 AromaticContact CZ-CG 3.87Å |
| 139 | R | 88.4 | Confident | 87.7 | Confident | 194 Ų | 194 | 43.6 Ų | 43.6 | 73% | 0.732 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -65.5 | -41.4 | 178.2 | -178.5 | -179.1 | -84 | -177.2 | -4.9 | 111.9 | R137 Q142 G143 | R137-R139 PolarHBondContact O-N 3.14Å; R139-Q142 PolarHBondContact O-N 3.18Å; R139-G143 PolarHBondContact O-N 3.36Å |
| 140 | D | 89.3 | Confident | 86.9 | Confident | 71 Ų | 71 | 44 Ų | 44 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.9 | -41 | 179.5 | -62.2 | -20.7 | 0 | 0 | 0 | 110.5 | H132 R137 Q142 G143 M144 | H132-D140 HydrophobicContact CB-CB 4.23Å; R137-D140 HydrophobicContact CB-CB 4.21Å; R137-D140 WeakPolarHBondContact CD-OD2 3.39Å; R137-D140 PolarHBondContact O-N 2.68Å; D140-Q142 PolarHBondContact O-N 3.17Å; D140-G143 PolarHBondContact O-N 3.08Å; D140-M144 WeakPolarHBondContact O-CG 3.44Å; D140-M144 PolarHBondContact O-N 3.23Å |
| 141 | A | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.7 | -46.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A129 H132 R137 Y138 G143 M144 C145 I172 | A129-A141 WeakPolarHBondContact O-CB 3.37Å; H132-A141 HydrophobicContact CB-CB 3.95Å; R137-A141 PolarHBondContact O-N 2.96Å; R137-A141 VanDerWaalsContact O-N 3.1Å; Y138-A141 PolarHBondContact O-N 2.96Å; A141-G143 VanDerWaalsContact C-N 3.33Å; A141-G143 PolarHBondContact O-N 3.04Å; A141-M144 PolarHBondContact O-N 3.08Å; A141-C145 PolarHBondContact O-N 3.44Å; A141-I172 HydrophobicContact CB-CG2 4.15Å |
| 142 | Q | 88.5 | Confident | 84.5 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 175.5 | -172.4 | -172 | -0.3 | 0 | 0 | 111.7 | Y138 R139 D140 M144 C145 A146 | Y138-Q142 PolarHBondContact O-N 3.23Å; R139-Q142 PolarHBondContact O-N 3.18Å; D140-Q142 PolarHBondContact O-N 3.17Å; Q142-M144 VanDerWaalsContact C-N 3.34Å; Q142-M144 PolarHBondContact O-N 3.21Å; Q142-C145 PolarHBondContact O-N 3.43Å; Q142-A146 WeakPolarHBondContact O-CB 3.42Å; Q142-A146 PolarHBondContact O-N 2.86Å |
| 143 | G | 87.9 | Confident | 83.2 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R139 D140 A141 A146 R147 | R139-G143 PolarHBondContact O-N 3.36Å; D140-G143 PolarHBondContact O-N 3.08Å; A141-G143 VanDerWaalsContact C-N 3.33Å; A141-G143 PolarHBondContact O-N 3.04Å; G143-A146 PolarHBondContact O-N 3.36Å; G143-R147 VanDerWaalsContact O-CG 3.32Å; G143-R147 WeakPolarHBondContact O-CG 3.46Å; G143-R147 PolarHBondContact O-N 3.35Å; G143-R147 VanDerWaalsContact O-N 3.17Å |
| 144 | M | 88.1 | Confident | 81.8 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 19% | 0.192 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.9 | -64.8 | -54.9 | 166.4 | 0 | 0 | 112.1 | L125 A129 D140 A141 Q142 A146 R147 | L125-M144 HydrophobicContact CD2-SD 4.1Å; A129-M144 HydrophobicContact CB-CB 3.78Å; D140-M144 WeakPolarHBondContact O-CG 3.44Å; D140-M144 PolarHBondContact O-N 3.23Å; A141-M144 PolarHBondContact O-N 3.08Å; Q142-M144 VanDerWaalsContact C-N 3.34Å; Q142-M144 PolarHBondContact O-N 3.21Å; M144-A146 VanDerWaalsContact C-N 3.32Å; M144-A146 PolarHBondContact O-N 2.59Å; M144-R147 PolarHBondContact O-N 2.88Å |
| 145 | C | 85.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 174.3 | -69.9 | 0 | 0 | 0 | 0 | 112.8 | A129 A141 Q142 L150 K173 | A129-C145 VanDerWaalsContact CB-SG 3.58Å; A141-C145 PolarHBondContact O-N 3.44Å; Q142-C145 PolarHBondContact O-N 3.43Å; C145-L150 HydrophobicContact CB-CD1 4.45Å; C145-K173 HydrophobicContact CB-CB 4.42Å |
| 146 | A | 85.6 | Confident | 78.7 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q142 G143 M144 V148 G149 | Q142-A146 WeakPolarHBondContact O-CB 3.42Å; Q142-A146 PolarHBondContact O-N 2.86Å; G143-A146 PolarHBondContact O-N 3.36Å; M144-A146 VanDerWaalsContact C-N 3.32Å; M144-A146 PolarHBondContact O-N 2.59Å; A146-V148 VanDerWaalsContact C-N 3.26Å; A146-V148 PolarHBondContact O-N 3.34Å; A146-G149 PolarHBondContact O-N 3.17Å |
| 147 | R | 84.9 | Confident | 77.6 | Confident | 172 Ų | 172 | 78.3 Ų | 78.3 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67 | -24.2 | 179.4 | -73.7 | 172.3 | 67.6 | -171 | 2.5 | 114.2 | G143 M144 | G143-R147 VanDerWaalsContact O-CG 3.32Å; G143-R147 WeakPolarHBondContact O-CG 3.46Å; G143-R147 PolarHBondContact O-N 3.35Å; G143-R147 VanDerWaalsContact O-N 3.17Å; M144-R147 PolarHBondContact O-N 2.88Å |
| 148 | V | 82.4 | Confident | 76.9 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.03 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -80.5 | -23.8 | -177.8 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | N122 L125 L126 A146 L150 L153 | N122-V148 HydrophobicContact CB-CG1 3.97Å; L125-V148 HydrophobicContact CB-CG2 3.43Å; L125-V148 VanDerWaalsContact CB-CG2 3.43Å; L125-V148 HydrophobicContact CD1-CG2 3.73Å; L125-V148 HydrophobicContact CG-CG2 4.23Å; L126-V148 HydrophobicContact CD2-CB 4.22Å; L126-V148 HydrophobicContact CD2-CG1 4.05Å; L126-V148 HydrophobicContact CD2-CG2 4.01Å; L126-V148 HydrophobicContact CG-CG1 4.36Å; L126-V148 HydrophobicContact CG-CG2 4.39Å; A146-V148 VanDerWaalsContact C-N 3.26Å; A146-V148 PolarHBondContact O-N 3.34Å; V148-L150 HydrophobicContact CG1-CD2 4.26Å; V148-L153 HydrophobicContact CG1-CD1 3.35Å; V148-L153 HydrophobicContact CG1-CG 4Å |
| 149 | G | 74 | Confident | 76.6 | Confident | 24 Ų | 24 | 73.7 Ų | 73.7 | 25% | 0.247 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 69.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A146 E151 E152 | A146-G149 PolarHBondContact O-N 3.17Å; G149-E151 PolarHBondContact O-N 3.25Å; G149-E152 WeakPolarHBondContact O-CB 3.32Å; G149-E152 PolarHBondContact O-N 2.91Å |
| 150 | L | 73.1 | Confident | 76.4 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -20.7 | -173 | -60.3 | 177.7 | 0 | 0 | 0 | 115 | L126 C145 V148 A169 F170 K173 | L126-L150 HydrophobicContact CD2-CD2 3.73Å; C145-L150 HydrophobicContact CB-CD1 4.45Å; V148-L150 HydrophobicContact CG1-CD2 4.26Å; L150-A169 HydrophobicContact CD1-CB 4.38Å; L150-A169 HydrophobicContact CD2-CB 3.79Å; L150-F170 HydrophobicContact CB-CE1 3.75Å; L150-F170 HydrophobicContact CB-CZ 3.74Å; L150-F170 HydrophobicContact CD1-CD1 3.68Å; L150-F170 HydrophobicContact CD1-CE1 3.72Å; L150-F170 HydrophobicContact CD1-CG 4.29Å; L150-F170 HydrophobicContact CD1-CZ 4.37Å; L150-F170 HydrophobicContact CG-CE1 4.4Å; L150-K173 HydrophobicContact CD1-CD 4.18Å |
| 151 | E | 68.9 | Low | 76.3 | Confident | 135 Ų | 135 | 62.3 Ų | 62.3 | 63% | 0.631 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -18 | 177.5 | -56.3 | -171 | 157.6 | 0 | 0 | 112.9 | G149 T154 K203 | G149-E151 PolarHBondContact O-N 3.25Å; E151-T154 PolarHBondContact O-OG1 2.98Å; E151-T154 VanDerWaalsContact O-OG1 3.1Å; E151-K203 IonicContact OE1-NZ 3.96Å; E151-K203 PolarHBondContact OE1-NZ 3.4Å |
| 152 | E | 65.4 | Low | 76.2 | Confident | 150 Ų | 150 | 63.3 Ų | 63.3 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -18.3 | 178.9 | -60.1 | 178.8 | -177.5 | 0 | 0 | 112.7 | G149 T154 | G149-E152 WeakPolarHBondContact O-CB 3.32Å; G149-E152 PolarHBondContact O-N 2.91Å; E152-T154 PolarHBondContact O-N 3.47Å |
| 153 | L | 64.3 | Low | 76.1 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -74.6 | -4.1 | 178 | -78 | 179.1 | 0 | 0 | 0 | 114 | N122 L126 V148 Q155 | N122-L153 HydrophobicContact CB-CD2 4.05Å; L126-L153 HydrophobicContact CD1-CD1 4.09Å; V148-L153 HydrophobicContact CG1-CD1 3.35Å; V148-L153 HydrophobicContact CG1-CG 4Å; L153-Q155 PolarHBondContact O-N 2.94Å |
| 154 | T | 61.3 | Low | 76.1 | Confident | 41 Ų | 41 | 61 Ų | 61 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | trans | -94.2 | 58.3 | -175.9 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | E151 E152 L166 F334 | E151-T154 PolarHBondContact O-OG1 2.98Å; E151-T154 VanDerWaalsContact O-OG1 3.1Å; E152-T154 PolarHBondContact O-N 3.47Å; T154-L166 HydrophobicContact CG2-CD2 4.13Å; T154-F334 VanDerWaalsContact CB-CB 3.49Å; T154-F334 HydrophobicContact CG2-CB 4.13Å; T154-F334 WeakPolarHBondContact O-CD1 3.48Å; T154-F334 WeakPolarHBondContact O-CD2 3.39Å; T154-F334 WeakPolarHBondContact O-CE1 3.46Å; T154-F334 WeakPolarHBondContact O-CE2 3.25Å; T154-F334 WeakPolarHBondContact O-CG 3.5Å; T154-F334 WeakPolarHBondContact O-CZ 3.46Å | ||
| 155 | Q | 61 | Low | 76.2 | Confident | 138 Ų | 138 | 59.4 Ų | 59.4 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | trans | -93.6 | 161.1 | 175.3 | -65.7 | -177.8 | 0.4 | 0 | 0 | 111.7 | L153 Q158 | L153-Q155 PolarHBondContact O-N 2.94Å; Q155-Q158 WeakPolarHBondContact O-CG 3.38Å | ||
| 156 | D | 50.8 | Low | 76.3 | Confident | 137 Ų | 137 | 60.5 Ų | 60.5 | 73% | 0.733 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -61 | 144.7 | 178.4 | -72 | -36.9 | 0 | 0 | 0 | 112.1 | F334 | D156-F334 WeakPolarHBondContact OD1-CE1 3.42Å; D156-F334 VanDerWaalsContact OD1-CZ 3.24Å; D156-F334 WeakPolarHBondContact OD1-CZ 3.31Å |
| 157 | D | 62.9 | Low | 76.5 | Confident | 164 Ų | 164 | 57.4 Ų | 57.4 | 88% | 0.877 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 64.9 | 54 | -179.2 | -73.9 | -17.4 | 0 | 0 | 0 | 117.9 | ||
| 158 | Q | 73.8 | Confident | 76.8 | Confident | 51 Ų | 51 | 49.6 Ų | 49.6 | 24% | 0.238 | 26% | 0.256 | C | S | . | . | trans | -89.3 | 144.8 | 169 | -59.8 | -57.6 | -43.3 | 0 | 0 | 112.9 | Q155 H162 | Q155-Q158 WeakPolarHBondContact O-CG 3.38Å; Q158-H162 HydrophobicContact CB-CB 4.06Å; Q158-H162 PolarHBondContact OE1-CD2 2.91Å; Q158-H162 PolarHBondContact OE1-NE2 3.34Å | ||
| 159 | P | 82.6 | Confident | 77.2 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 14% | 0.143 | 26% | 0.256 | C | S | . | . | trans | -72.5 | 157.7 | 175 | 33.5 | -37.9 | 0 | 0 | 0 | 111.5 | Y161 H162 | P159-Y161 VanDerWaalsContact C-N 3.3Å; P159-Y161 HydrophobicContact CB-CD1 3.9Å; P159-Y161 HydrophobicContact CB-CE1 3.53Å; P159-Y161 HydrophobicContact CG-CD1 3.88Å; P159-Y161 HydrophobicContact CG-CE1 3.22Å; P159-Y161 HydrophobicContact CG-CE2 4.41Å; P159-Y161 PolarHBondContact O-N 3.39Å; P159-Y161 VanDerWaalsContact O-N 3.12Å; P159-H162 WeakPolarHBondContact CG-ND1 3.46Å; P159-H162 WeakPolarHBondContact O-CB 3.37Å; P159-H162 PolarHBondContact O-N 2.93Å | ||
| 160 | V | 84.9 | Confident | 78 | Confident | 24 Ų | 24 | 49 Ų | 49 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.2 | -39.1 | -169.1 | -178.2 | 0 | 0 | 0 | 0 | 113.4 | A21 H162 F163 Y211 E214 L215 M218 | A21-V160 HydrophobicContact CB-CB 3.89Å; A21-V160 HydrophobicContact CB-CG1 4.15Å; V160-H162 PolarHBondContact O-N 3.49Å; V160-F163 PolarHBondContact O-N 3.1Å; V160-Y211 HydrophobicContact CG1-CD2 3.82Å; V160-Y211 HydrophobicContact CG1-CE2 3.9Å; V160-Y211 WeakPolarHBondContact O-CD2 3.5Å; V160-E214 HydrophobicContact CG1-CB 4.22Å; V160-E214 HydrophobicContact CG2-CB 4.24Å; V160-L215 HydrophobicContact CG1-CB 4.19Å; V160-L215 HydrophobicContact CG1-CD1 4.43Å; V160-M218 HydrophobicContact CB-SD 4.49Å; V160-M218 HydrophobicContact CG2-SD 4.06Å |
| 161 | Y | 86.6 | Confident | 78.9 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.6 | -20.5 | 180 | 69.2 | -91.1 | 0 | 0 | 0 | 114.2 | E17 R20 R119 P159 F163 R164 L165 | E17-Y161 HydrophobicContact CB-CD1 4.41Å; E17-Y161 HydrophobicContact CB-CE1 3.93Å; E17-Y161 HydrophobicContact CG-CE1 3.77Å; R20-Y161 HydrophobicContact CB-CD1 4.06Å; R20-Y161 HydrophobicContact CB-CG 3.98Å; R20-Y161 VanDerWaalsContact NH1-CZ 3.27Å; R20-Y161 PolarHBondContact NH1-OH 2.93Å; R119-Y161 PolarHBondContact NH2-OH 3.25Å; P159-Y161 VanDerWaalsContact C-N 3.3Å; P159-Y161 HydrophobicContact CB-CD1 3.9Å; P159-Y161 HydrophobicContact CB-CE1 3.53Å; P159-Y161 HydrophobicContact CG-CD1 3.88Å; P159-Y161 HydrophobicContact CG-CE1 3.22Å; P159-Y161 HydrophobicContact CG-CE2 4.41Å; P159-Y161 PolarHBondContact O-N 3.39Å; P159-Y161 VanDerWaalsContact O-N 3.12Å; Y161-F163 VanDerWaalsContact C-N 3.32Å; Y161-F163 PolarHBondContact O-N 3.49Å; Y161-R164 WeakPolarHBondContact O-CB 3.49Å; Y161-R164 PolarHBondContact O-N 3.24Å; Y161-L165 HydrophobicContact CD2-CD1 4.06Å; Y161-L165 HydrophobicContact CE2-CD1 4.41Å; Y161-L165 PolarHBondContact O-N 3.35Å; Y161-L165 VanDerWaalsContact O-N 3.1Å |
| 162 | H | 86.8 | Confident | 80 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.3 | -35.5 | 175.6 | -81.9 | 44.7 | 0 | 0 | 0 | 111.8 | R119 E123 Q158 P159 V160 R164 L165 L166 | R119-H162 PolarHBondContact NE-CE1 3.19Å; R119-H162 PolarHBondContact NE-NE2 2.96Å; R119-H162 PolarHBondContact NH2-CE1 3.22Å; R119-H162 PolarHBondContact NH2-NE2 3.03Å; E123-H162 IonicContact OE1-CE1 2.71Å; E123-H162 PolarHBondContact OE1-CE1 3.1Å; E123-H162 IonicContact OE1-NE2 3.13Å; E123-H162 PolarHBondContact OE1-NE2 2.96Å; Q158-H162 HydrophobicContact CB-CB 4.06Å; Q158-H162 PolarHBondContact OE1-CD2 2.91Å; Q158-H162 PolarHBondContact OE1-NE2 3.34Å; P159-H162 WeakPolarHBondContact CG-ND1 3.46Å; P159-H162 WeakPolarHBondContact O-CB 3.37Å; P159-H162 PolarHBondContact O-N 2.93Å; V160-H162 PolarHBondContact O-N 3.49Å; H162-R164 VanDerWaalsContact C-N 3.26Å; H162-R164 PolarHBondContact O-N 3.15Å; H162-L165 PolarHBondContact O-N 3.3Å; H162-L166 VanDerWaalsContact O-CB 3.28Å; H162-L166 WeakPolarHBondContact O-CB 3.43Å; H162-L166 PolarHBondContact O-N 3.4Å |
| 163 | F | 86.1 | Confident | 81.2 | Confident | 36 Ų | 36 | 38.1 Ų | 38.1 | 16% | 0.158 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.4 | -36.5 | 175.5 | -64.6 | -75.9 | 0 | 0 | 0 | 111.5 | V160 Y161 A167 Y211 K335 | V160-F163 PolarHBondContact O-N 3.1Å; Y161-F163 VanDerWaalsContact C-N 3.32Å; Y161-F163 PolarHBondContact O-N 3.49Å; F163-A167 WeakPolarHBondContact O-CB 3.32Å; F163-A167 PolarHBondContact O-N 3.39Å; F163-Y211 HydrophobicContact CB-CD2 4.41Å; F163-Y211 HydrophobicContact CB-CG 4.47Å; F163-K335 HydrophobicContact CZ-CD 4.38Å |
| 164 | R | 89.9 | Confident | 82.4 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -53.6 | 172.4 | 175.7 | 178.2 | 69.3 | 76.4 | 5.9 | 111.5 | E72 E76 Y161 H162 L166 A167 E168 Y211 L244 | E72-R164 IonicContact OE1-NH2 2.81Å; E72-R164 PolarHBondContact OE1-NH2 2.7Å; E76-R164 IonicContact OE1-CZ 2.75Å; E76-R164 IonicContact OE1-NH1 2.77Å; E76-R164 PolarHBondContact OE1-NH1 3.05Å; Y161-R164 WeakPolarHBondContact O-CB 3.49Å; Y161-R164 PolarHBondContact O-N 3.24Å; H162-R164 VanDerWaalsContact C-N 3.26Å; H162-R164 PolarHBondContact O-N 3.15Å; R164-L166 VanDerWaalsContact C-N 3.25Å; R164-L166 PolarHBondContact O-N 3.14Å; R164-A167 PolarHBondContact O-N 3.31Å; R164-A167 VanDerWaalsContact O-N 3.16Å; R164-E168 HydrophobicContact CG-CG 4.32Å; R164-E168 WeakPolarHBondContact CG-OE1 3.15Å; R164-E168 IonicContact NH1-OE1 2.63Å; R164-E168 PolarHBondContact NH1-OE1 3.26Å; R164-E168 VanDerWaalsContact NH1-OE1 3.16Å; R164-E168 IonicContact NH1-OE2 3.34Å; R164-E168 PolarHBondContact NH1-OE2 3.35Å; R164-E168 VanDerWaalsContact O-CG 3.25Å; R164-E168 WeakPolarHBondContact O-CG 3.45Å; R164-E168 PolarHBondContact O-N 3.45Å; R164-Y211 HydrophobicContact CB-CD1 4.24Å; R164-Y211 HydrophobicContact CB-CD2 3.9Å; R164-Y211 HydrophobicContact CB-CE1 4.21Å; R164-Y211 HydrophobicContact CB-CE2 3.87Å; R164-Y211 HydrophobicContact CB-CG 4.08Å; R164-L244 HydrophobicContact CG-CD1 3.99Å; R164-L244 HydrophobicContact CG-CD2 4.11Å; R164-L244 HydrophobicContact CG-CG 4.25Å |
| 165 | L | 88.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -38.9 | 180 | -69.8 | 176.2 | 0 | 0 | 0 | 112.1 | E123 L126 L127 Y161 H162 A169 | E123-L165 HydrophobicContact CG-CD1 4.11Å; L126-L165 HydrophobicContact CD1-CB 4.41Å; L127-L165 HydrophobicContact CD2-CD2 4.12Å; Y161-L165 HydrophobicContact CD2-CD1 4.06Å; Y161-L165 HydrophobicContact CE2-CD1 4.41Å; Y161-L165 PolarHBondContact O-N 3.35Å; Y161-L165 VanDerWaalsContact O-N 3.1Å; H162-L165 PolarHBondContact O-N 3.3Å; L165-A169 VanDerWaalsContact O-CB 3.22Å; L165-A169 WeakPolarHBondContact O-CB 3.34Å; L165-A169 PolarHBondContact O-N 3.31Å |
| 166 | L | 88.5 | Confident | 85 | Confident | 25 Ų | 25 | 28.9 Ų | 28.9 | 13% | 0.131 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.7 | -46 | 176.4 | -173 | 71.4 | 0 | 0 | 0 | 111.8 | T154 H162 R164 A169 F170 A207 | T154-L166 HydrophobicContact CG2-CD2 4.13Å; H162-L166 VanDerWaalsContact O-CB 3.28Å; H162-L166 WeakPolarHBondContact O-CB 3.43Å; H162-L166 PolarHBondContact O-N 3.4Å; R164-L166 VanDerWaalsContact C-N 3.25Å; R164-L166 PolarHBondContact O-N 3.14Å; L166-A169 PolarHBondContact O-N 3.32Å; L166-F170 HydrophobicContact CD1-CD2 4.17Å; L166-F170 HydrophobicContact CD1-CE2 3.6Å; L166-F170 HydrophobicContact CD1-CZ 4.29Å; L166-F170 HydrophobicContact CD2-CE2 4.11Å; L166-F170 HydrophobicContact CG-CD2 3.91Å; L166-F170 HydrophobicContact CG-CE2 3.61Å; L166-F170 VanDerWaalsContact O-CD2 3.23Å; L166-F170 WeakPolarHBondContact O-CD2 3.48Å; L166-F170 PolarHBondContact O-N 3.4Å; L166-A207 HydrophobicContact CD2-CB 4.29Å |
| 167 | A | 89.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F163 R164 A169 F170 V171 A204 A207 A208 L244 A247 | F163-A167 WeakPolarHBondContact O-CB 3.32Å; F163-A167 PolarHBondContact O-N 3.39Å; R164-A167 PolarHBondContact O-N 3.31Å; R164-A167 VanDerWaalsContact O-N 3.16Å; A167-A169 PolarHBondContact O-N 3.25Å; A167-F170 PolarHBondContact O-N 2.93Å; A167-V171 PolarHBondContact O-N 3.37Å; A167-V171 VanDerWaalsContact O-N 3.08Å; A167-A204 WeakPolarHBondContact O-CB 3.48Å; A167-A207 HydrophobicContact CB-CB 3.8Å; A167-A208 HydrophobicContact CB-CB 3.99Å; A167-L244 HydrophobicContact CB-CD2 4.28Å; A167-A247 HydrophobicContact CB-CB 4.5Å |
| 168 | E | 91.9 | Very high | 87.5 | Confident | 8 Ų | 8 | 18.4 Ų | 18.4 | 4% | 0.037 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 177.3 | -65 | 171.4 | 163.3 | 0 | 0 | 111.4 | K130 R164 F170 V171 I172 F243 L244 | K130-E168 VanDerWaalsContact CE-OE2 3.28Å; K130-E168 WeakPolarHBondContact CE-OE2 3.46Å; K130-E168 IonicContact NZ-OE1 3.78Å; K130-E168 PolarHBondContact NZ-OE1 2.87Å; K130-E168 IonicContact NZ-OE2 3.34Å; K130-E168 PolarHBondContact NZ-OE2 2.91Å; R164-E168 HydrophobicContact CG-CG 4.32Å; R164-E168 WeakPolarHBondContact CG-OE1 3.15Å; R164-E168 IonicContact NH1-OE1 2.63Å; R164-E168 PolarHBondContact NH1-OE1 3.26Å; R164-E168 VanDerWaalsContact NH1-OE1 3.16Å; R164-E168 IonicContact NH1-OE2 3.34Å; R164-E168 PolarHBondContact NH1-OE2 3.35Å; R164-E168 VanDerWaalsContact O-CG 3.25Å; R164-E168 WeakPolarHBondContact O-CG 3.45Å; R164-E168 PolarHBondContact O-N 3.45Å; E168-F170 PolarHBondContact O-N 3.38Å; E168-V171 PolarHBondContact O-N 2.9Å; E168-I172 WeakPolarHBondContact O-CB 3.35Å; E168-I172 WeakPolarHBondContact O-CD1 3.01Å; E168-I172 WeakPolarHBondContact O-CG1 3.43Å; E168-I172 PolarHBondContact O-N 3.22Å; E168-F243 HydrophobicContact CB-CB 4.13Å; E168-F243 HydrophobicContact CG-CB 3.74Å; E168-L244 HydrophobicContact CG-CD2 4.5Å; E168-L244 HydrophobicContact CG-CG 4.49Å |
| 169 | A | 91.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L126 L150 L165 L166 A167 I172 K173 | L126-A169 HydrophobicContact CD1-CB 4.26Å; L126-A169 HydrophobicContact CD2-CB 3.67Å; L126-A169 HydrophobicContact CG-CB 4.46Å; L150-A169 HydrophobicContact CD1-CB 4.38Å; L150-A169 HydrophobicContact CD2-CB 3.79Å; L165-A169 VanDerWaalsContact O-CB 3.22Å; L165-A169 WeakPolarHBondContact O-CB 3.34Å; L165-A169 PolarHBondContact O-N 3.31Å; L166-A169 PolarHBondContact O-N 3.32Å; A167-A169 PolarHBondContact O-N 3.25Å; A169-I172 PolarHBondContact O-N 3.24Å; A169-K173 WeakPolarHBondContact O-CB 3.38Å; A169-K173 PolarHBondContact O-N 3.3Å |
| 170 | F | 90.6 | Very high | 87.4 | Confident | 14 Ų | 14 | 20.3 Ų | 20.3 | 6% | 0.061 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 175.9 | -80.7 | -59 | 0 | 0 | 0 | 112 | L150 L166 A167 E168 K173 G174 K203 A204 | L150-F170 HydrophobicContact CB-CE1 3.75Å; L150-F170 HydrophobicContact CB-CZ 3.74Å; L150-F170 HydrophobicContact CD1-CD1 3.68Å; L150-F170 HydrophobicContact CD1-CE1 3.72Å; L150-F170 HydrophobicContact CD1-CG 4.29Å; L150-F170 HydrophobicContact CD1-CZ 4.37Å; L150-F170 HydrophobicContact CG-CE1 4.4Å; L166-F170 HydrophobicContact CD1-CD2 4.17Å; L166-F170 HydrophobicContact CD1-CE2 3.6Å; L166-F170 HydrophobicContact CD1-CZ 4.29Å; L166-F170 HydrophobicContact CD2-CE2 4.11Å; L166-F170 HydrophobicContact CG-CD2 3.91Å; L166-F170 HydrophobicContact CG-CE2 3.61Å; L166-F170 VanDerWaalsContact O-CD2 3.23Å; L166-F170 WeakPolarHBondContact O-CD2 3.48Å; L166-F170 PolarHBondContact O-N 3.4Å; A167-F170 PolarHBondContact O-N 2.93Å; E168-F170 PolarHBondContact O-N 3.38Å; F170-K173 PolarHBondContact O-N 3.34Å; F170-G174 PolarHBondContact O-N 2.88Å; F170-K203 HydrophobicContact CD1-CB 4.24Å; F170-K203 HydrophobicContact CD1-CD 4.45Å; F170-K203 HydrophobicContact CD2-CB 4.09Å; F170-K203 HydrophobicContact CE1-CB 4.32Å; F170-K203 HydrophobicContact CE1-CD 3.9Å; F170-K203 HydrophobicContact CE2-CB 4.16Å; F170-K203 HydrophobicContact CG-CB 4.15Å; F170-K203 HydrophobicContact CZ-CB 4.29Å; F170-K203 HydrophobicContact CZ-CD 4.06Å; F170-A204 HydrophobicContact CB-CB 3.64Å |
| 171 | V | 91.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.5 | -44.7 | 175.1 | 164 | 0 | 0 | 0 | 0 | 112.7 | A167 E168 K173 G174 L175 A204 F243 A246 A247 | A167-V171 PolarHBondContact O-N 3.37Å; A167-V171 VanDerWaalsContact O-N 3.08Å; E168-V171 PolarHBondContact O-N 2.9Å; V171-K173 PolarHBondContact O-N 3.42Å; V171-G174 PolarHBondContact O-N 2.92Å; V171-G174 VanDerWaalsContact O-N 3.13Å; V171-L175 HydrophobicContact CG1-CD1 3.49Å; V171-L175 VanDerWaalsContact CG1-CD1 3.49Å; V171-L175 HydrophobicContact CG1-CG 3.95Å; V171-L175 WeakPolarHBondContact O-CB 3.47Å; V171-L175 WeakPolarHBondContact O-CG 3.47Å; V171-L175 PolarHBondContact O-N 3.39Å; V171-A204 HydrophobicContact CB-CB 4.41Å; V171-A204 HydrophobicContact CG2-CB 3.33Å; V171-F243 HydrophobicContact CG1-CD1 4.45Å; V171-A246 HydrophobicContact CG1-CB 3.84Å; V171-A247 HydrophobicContact CG2-CB 3.5Å; V171-A247 VanDerWaalsContact CG2-CB 3.5Å |
| 172 | I | 91.6 | Very high | 84.6 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 176.5 | -71.4 | 160.2 | 0 | 0 | 0 | 109.4 | K130 Y133 A141 E168 A169 S176 F243 | K130-I172 HydrophobicContact CB-CD1 3.81Å; K130-I172 HydrophobicContact CG-CD1 3.94Å; Y133-I172 HydrophobicContact CD2-CG2 4.11Å; Y133-I172 HydrophobicContact CG-CG2 4.13Å; A141-I172 HydrophobicContact CB-CG2 4.15Å; E168-I172 WeakPolarHBondContact O-CB 3.35Å; E168-I172 WeakPolarHBondContact O-CD1 3.01Å; E168-I172 WeakPolarHBondContact O-CG1 3.43Å; E168-I172 PolarHBondContact O-N 3.22Å; A169-I172 PolarHBondContact O-N 3.24Å; I172-S176 WeakPolarHBondContact O-CB 3.39Å; I172-S176 PolarHBondContact O-N 2.92Å; I172-S176 PolarHBondContact O-OG 3.39Å; I172-S176 VanDerWaalsContact O-OG 3.06Å; I172-F243 HydrophobicContact CD1-CD1 4.26Å; I172-F243 HydrophobicContact CD1-CE1 4.2Å; I172-F243 HydrophobicContact CG1-CD1 3.73Å; I172-F243 HydrophobicContact CG1-CE1 3.62Å; I172-F243 HydrophobicContact CG1-CZ 4.34Å |
| 173 | K | 90.4 | Very high | 82.9 | Confident | 63 Ų | 63 | 34.3 Ų | 34.3 | 27% | 0.274 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.6 | -49.8 | 173.8 | -173.5 | 179.6 | 175.7 | -174.3 | 0 | 111.3 | C145 L150 A169 F170 V171 S176 L177 | C145-K173 HydrophobicContact CB-CB 4.42Å; L150-K173 HydrophobicContact CD1-CD 4.18Å; A169-K173 WeakPolarHBondContact O-CB 3.38Å; A169-K173 PolarHBondContact O-N 3.3Å; F170-K173 PolarHBondContact O-N 3.34Å; V171-K173 PolarHBondContact O-N 3.42Å; K173-S176 PolarHBondContact O-N 3.42Å; K173-S176 PolarHBondContact O-OG 3.31Å; K173-L177 WeakPolarHBondContact O-CG 3.37Å; K173-L177 PolarHBondContact O-N 3.45Å; K173-L177 VanDerWaalsContact O-N 3.08Å |
| 174 | G | 88.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -51.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | F170 V171 S176 L177 D178 F201 | F170-G174 PolarHBondContact O-N 2.88Å; V171-G174 PolarHBondContact O-N 2.92Å; V171-G174 VanDerWaalsContact O-N 3.13Å; G174-S176 VanDerWaalsContact C-N 3.32Å; G174-S176 PolarHBondContact O-N 2.91Å; G174-L177 WeakPolarHBondContact O-CB 3.43Å; G174-L177 PolarHBondContact O-N 2.9Å; G174-L177 VanDerWaalsContact O-N 3.07Å; G174-D178 PolarHBondContact O-N 3.45Å; G174-F201 VanDerWaalsContact C-CZ 3.47Å |
| 175 | L | 88.9 | Confident | 79.4 | Confident | 26 Ų | 26 | 40 Ų | 40 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 177.6 | -66 | 175 | 0 | 0 | 0 | 111.3 | Y133 V171 L177 D178 H179 F201 A246 | Y133-L175 HydrophobicContact CE2-CB 3.56Å; Y133-L175 HydrophobicContact CE2-CD1 4.4Å; Y133-L175 WeakPolarHBondContact OH-CD1 3.37Å; V171-L175 HydrophobicContact CG1-CD1 3.49Å; V171-L175 VanDerWaalsContact CG1-CD1 3.49Å; V171-L175 HydrophobicContact CG1-CG 3.95Å; V171-L175 WeakPolarHBondContact O-CB 3.47Å; V171-L175 WeakPolarHBondContact O-CG 3.47Å; V171-L175 PolarHBondContact O-N 3.39Å; L175-L177 PolarHBondContact O-N 2.97Å; L175-D178 PolarHBondContact O-N 3.04Å; L175-D178 VanDerWaalsContact O-N 3.14Å; L175-H179 PolarHBondContact O-CD2 3.36Å; L175-H179 PolarHBondContact O-N 3.32Å; L175-F201 HydrophobicContact CD2-CE1 4.07Å; L175-F201 HydrophobicContact CD2-CZ 4.07Å; L175-F201 HydrophobicContact CG-CE1 4.08Å; L175-F201 HydrophobicContact CG-CZ 4.45Å; L175-A246 HydrophobicContact CD1-CB 4.37Å |
| 176 | S | 88.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -26.5 | 175.8 | 74.9 | 0 | 0 | 0 | 0 | 112.9 | I172 K173 G174 Q180 | I172-S176 WeakPolarHBondContact O-CB 3.39Å; I172-S176 PolarHBondContact O-N 2.92Å; I172-S176 PolarHBondContact O-OG 3.39Å; I172-S176 VanDerWaalsContact O-OG 3.06Å; K173-S176 PolarHBondContact O-N 3.42Å; K173-S176 PolarHBondContact O-OG 3.31Å; G174-S176 VanDerWaalsContact C-N 3.32Å; G174-S176 PolarHBondContact O-N 2.91Å; S176-Q180 VanDerWaalsContact O-CG 3.24Å; S176-Q180 WeakPolarHBondContact O-CG 3.32Å; S176-Q180 PolarHBondContact O-NE2 2.93Å; S176-Q180 VanDerWaalsContact O-NE2 3.09Å |
| 177 | L | 85.7 | Confident | 77.1 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.7 | -44.9 | 170.2 | -70.9 | 168.4 | 0 | 0 | 0 | 110.1 | K173 G174 L175 H179 Q180 R193 E196 | K173-L177 WeakPolarHBondContact O-CG 3.37Å; K173-L177 PolarHBondContact O-N 3.45Å; K173-L177 VanDerWaalsContact O-N 3.08Å; G174-L177 WeakPolarHBondContact O-CB 3.43Å; G174-L177 PolarHBondContact O-N 2.9Å; G174-L177 VanDerWaalsContact O-N 3.07Å; L175-L177 PolarHBondContact O-N 2.97Å; L177-H179 VanDerWaalsContact C-N 3.32Å; L177-H179 PolarHBondContact O-N 3Å; L177-Q180 PolarHBondContact O-N 2.93Å; L177-R193 HydrophobicContact CD2-CG 4.45Å; L177-R193 PolarHBondContact O-NE 3.28Å; L177-R193 PolarHBondContact O-NH1 2.99Å; L177-R193 PolarHBondContact O-NH2 3.29Å; L177-E196 HydrophobicContact CD1-CB 4.5Å |
| 178 | D | 81.1 | Confident | 76 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.5 | -33.1 | -178.6 | -69.8 | -7.9 | 0 | 0 | 0 | 112.9 | G174 L175 Q180 S197 F201 | G174-D178 PolarHBondContact O-N 3.45Å; L175-D178 PolarHBondContact O-N 3.04Å; L175-D178 VanDerWaalsContact O-N 3.14Å; D178-Q180 PolarHBondContact O-N 2.95Å; D178-S197 WeakPolarHBondContact OD1-CB 3.41Å; D178-S197 PolarHBondContact OD1-OG 2.91Å; D178-F201 VanDerWaalsContact OD2-CE2 3.27Å; D178-F201 WeakPolarHBondContact OD2-CE2 3.48Å; D178-F201 VanDerWaalsContact OD2-CZ 3.29Å; D178-F201 WeakPolarHBondContact OD2-CZ 3.45Å |
| 179 | H | 79.4 | Confident | 75 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -11.9 | -178 | -75.4 | -68.6 | 0 | 0 | 0 | 116.3 | Y133 Y138 L175 L177 T181 | Y133-H179 PolarHBondContact OH-NE2 3.24Å; Y138-H179 HydrophobicContact CD1-CB 4.11Å; Y138-H179 HydrophobicContact CD2-CB 3.7Å; Y138-H179 HydrophobicContact CE1-CB 4.13Å; Y138-H179 AromaticContact CE1-CD2 3.81Å; Y138-H179 HydrophobicContact CE2-CB 3.72Å; Y138-H179 HydrophobicContact CG-CB 3.9Å; Y138-H179 AromaticContact CZ-CG 3.87Å; L175-H179 PolarHBondContact O-CD2 3.36Å; L175-H179 PolarHBondContact O-N 3.32Å; L177-H179 VanDerWaalsContact C-N 3.32Å; L177-H179 PolarHBondContact O-N 3Å; H179-T181 PolarHBondContact O-N 3.35Å |
| 180 | Q | 76 | Confident | 74.2 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | trans | -83.1 | 113 | 179.1 | -42.9 | 160.4 | 10.3 | 0 | 0 | 110 | S176 L177 D178 L182 R193 | S176-Q180 VanDerWaalsContact O-CG 3.24Å; S176-Q180 WeakPolarHBondContact O-CG 3.32Å; S176-Q180 PolarHBondContact O-NE2 2.93Å; S176-Q180 VanDerWaalsContact O-NE2 3.09Å; L177-Q180 PolarHBondContact O-N 2.93Å; D178-Q180 PolarHBondContact O-N 2.95Å; Q180-L182 PolarHBondContact O-N 3.37Å; Q180-R193 PolarHBondContact O-NH1 2.73Å | ||
| 181 | T | 57.4 | Low | 73.4 | Confident | 137 Ų | 137 | 70.3 Ų | 70.3 | 84% | 0.84 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -66 | 124.3 | 170.1 | 54.5 | 0 | 0 | 0 | 0 | 110.1 | H179 | H179-T181 PolarHBondContact O-N 3.35Š|
| 182 | L | 54.8 | Low | 72.8 | Confident | 94 Ų | 94 | 75.1 Ų | 75.1 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -100.2 | 129.6 | 173.6 | -75.6 | 170.4 | 0 | 0 | 0 | 111.4 | Q180 L190 | Q180-L182 PolarHBondContact O-N 3.37Å; L182-L190 HydrophobicContact CD1-CD2 4.07Å |
| 183 | S | 50.3 | Low | 72.2 | Confident | 110 Ų | 110 | 77 Ų | 77 | 77% | 0.769 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -78.4 | 117.3 | 162.3 | 166.6 | 0 | 0 | 0 | 0 | 109.1 | ||
| 184 | A | 50.6 | Low | 71.6 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 84% | 0.843 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 40.4 | 75.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 185 | V | 52.7 | Low | 71.3 | Confident | 56 Ų | 56 | 84.2 Ų | 84.2 | 34% | 0.339 | 44% | 0.441 | S | S | . | . | trans | -127 | 148.1 | 171.5 | -177.7 | 0 | 0 | 0 | 0 | 111 | R189 | V185-R189 HydrophobicContact CG1-CB 3.8Å; V185-R189 VanDerWaalsContact CG1-CD 3.44Å; V185-R189 HydrophobicContact CG1-CG 4.2Å | ||
| 186 | S | 63.2 | Low | 71 | Confident | 68 Ų | 68 | 88.4 Ų | 88.4 | 48% | 0.476 | 46% | 0.46 | S | S | . | . | trans | -52.2 | 144.3 | -177.7 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | I188 R189 | S186-I188 PolarHBondContact O-N 2.89Å; S186-R189 PolarHBondContact O-N 2.68Å; S186-R189 VanDerWaalsContact O-N 3.09Å | ||
| 187 | R | 64.5 | Low | 71 | Confident | 228 Ų | 228 | 88.4 Ų | 88.4 | 86% | 0.86 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -50.8 | -31.9 | -178.9 | -69.6 | -179.1 | 179.7 | 170.6 | -0.7 | 114.4 | L190 S191 | R187-L190 PolarHBondContact O-N 2.9Å; R187-S191 PolarHBondContact O-N 2.86Å; R187-S191 VanDerWaalsContact O-N 3.13Å; R187-S191 PolarHBondContact O-OG 2.63Å |
| 188 | I | 67.8 | Low | 70.9 | Confident | 114 Ų | 114 | 89.3 Ų | 89.3 | 59% | 0.585 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -68 | -40.4 | -178.4 | -62.1 | 167.9 | 0 | 0 | 0 | 112 | S186 L190 S191 E192 | S186-I188 PolarHBondContact O-N 2.89Å; I188-L190 VanDerWaalsContact C-N 3.29Å; I188-L190 PolarHBondContact O-N 3.39Å; I188-S191 WeakPolarHBondContact CA-OG 3.07Å; I188-S191 PolarHBondContact O-N 2.89Å; I188-S191 PolarHBondContact O-OG 3.45Å; I188-E192 WeakPolarHBondContact O-CG 3.34Å; I188-E192 PolarHBondContact O-N 2.92Å |
| 189 | R | 71.1 | Confident | 71.2 | Confident | 161 Ų | 161 | 86.5 Ų | 86.5 | 61% | 0.608 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -73.3 | -25.6 | 178.5 | -71.9 | 179.6 | 174.9 | 177.9 | 1.9 | 112.4 | V185 S186 R193 | V185-R189 HydrophobicContact CG1-CB 3.8Å; V185-R189 VanDerWaalsContact CG1-CD 3.44Å; V185-R189 HydrophobicContact CG1-CG 4.2Å; S186-R189 PolarHBondContact O-N 2.68Å; S186-R189 VanDerWaalsContact O-N 3.09Å; R189-R193 VanDerWaalsContact O-CB 3.32Å; R189-R193 WeakPolarHBondContact O-CB 3.34Å; R189-R193 PolarHBondContact O-N 3.11Å |
| 190 | L | 74.2 | Confident | 71.6 | Confident | 68 Ų | 68 | 83.8 Ų | 83.8 | 36% | 0.356 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.9 | -45.2 | 171.3 | -67.9 | 171.7 | 0 | 0 | 0 | 110.4 | L182 R187 I188 R193 E194 | L182-L190 HydrophobicContact CD1-CD2 4.07Å; R187-L190 PolarHBondContact O-N 2.9Å; I188-L190 VanDerWaalsContact C-N 3.29Å; I188-L190 PolarHBondContact O-N 3.39Å; L190-R193 PolarHBondContact O-N 2.89Å; L190-E194 WeakPolarHBondContact O-CB 3.45Å; L190-E194 VanDerWaalsContact O-CG 3.26Å; L190-E194 WeakPolarHBondContact O-CG 3.48Å; L190-E194 PolarHBondContact O-N 3.24Å |
| 191 | S | 74.2 | Confident | 72.2 | Confident | 52 Ų | 52 | 81.5 Ų | 81.5 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 176.8 | 54 | 0 | 0 | 0 | 0 | 113.1 | R187 I188 R193 E194 E195 | R187-S191 PolarHBondContact O-N 2.86Å; R187-S191 VanDerWaalsContact O-N 3.13Å; R187-S191 PolarHBondContact O-OG 2.63Å; I188-S191 WeakPolarHBondContact CA-OG 3.07Å; I188-S191 PolarHBondContact O-N 2.89Å; I188-S191 PolarHBondContact O-OG 3.45Å; S191-R193 VanDerWaalsContact C-N 3.33Å; S191-R193 PolarHBondContact O-N 3.44Å; S191-E194 PolarHBondContact O-N 3.35Å; S191-E195 WeakPolarHBondContact O-CG 3.36Å; S191-E195 PolarHBondContact O-N 2.9Å |
| 192 | E | 78.7 | Confident | 73.7 | Confident | 101 Ų | 101 | 75.6 Ų | 75.6 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 175.5 | -74.1 | 170.1 | 172 | 0 | 0 | 111.2 | I188 E194 E195 E196 | I188-E192 WeakPolarHBondContact O-CG 3.34Å; I188-E192 PolarHBondContact O-N 2.92Å; E192-E194 PolarHBondContact O-N 3.01Å; E192-E195 PolarHBondContact O-N 3.23Å; E192-E196 WeakPolarHBondContact O-CG 3.39Å; E192-E196 PolarHBondContact O-N 3.06Å |
| 193 | R | 78.9 | Confident | 75.2 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 16% | 0.158 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.7 | -172.9 | -175.2 | -164.6 | -164 | 6.3 | 112.5 | L177 Q180 R189 L190 S191 E195 E196 S197 | L177-R193 HydrophobicContact CD2-CG 4.45Å; L177-R193 PolarHBondContact O-NE 3.28Å; L177-R193 PolarHBondContact O-NH1 2.99Å; L177-R193 PolarHBondContact O-NH2 3.29Å; Q180-R193 PolarHBondContact O-NH1 2.73Å; R189-R193 VanDerWaalsContact O-CB 3.32Å; R189-R193 WeakPolarHBondContact O-CB 3.34Å; R189-R193 PolarHBondContact O-N 3.11Å; L190-R193 PolarHBondContact O-N 2.89Å; S191-R193 VanDerWaalsContact C-N 3.33Å; S191-R193 PolarHBondContact O-N 3.44Å; R193-E195 VanDerWaalsContact C-N 3.31Å; R193-E196 PolarHBondContact O-N 3.21Å; R193-S197 PolarHBondContact O-N 3.03Å |
| 194 | E | 77.9 | Confident | 77 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 176.9 | -81.3 | 175.1 | -163.8 | 0 | 0 | 111.5 | L190 S191 E192 S197 L198 R258 | L190-E194 WeakPolarHBondContact O-CB 3.45Å; L190-E194 VanDerWaalsContact O-CG 3.26Å; L190-E194 WeakPolarHBondContact O-CG 3.48Å; L190-E194 PolarHBondContact O-N 3.24Å; S191-E194 PolarHBondContact O-N 3.35Å; E192-E194 PolarHBondContact O-N 3.01Å; E194-S197 PolarHBondContact O-OG 3.15Å; E194-L198 WeakPolarHBondContact O-CB 3.37Å; E194-L198 PolarHBondContact O-N 3.33Å; E194-R258 VanDerWaalsContact CA-NH2 3.35Å; E194-R258 VanDerWaalsContact O-CZ 3.26Å; E194-R258 PolarHBondContact O-NH1 3.01Å; E194-R258 PolarHBondContact O-NH2 3.01Å |
| 195 | E | 81.3 | Confident | 78.9 | Confident | 126 Ų | 126 | 63.1 Ų | 63.1 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.3 | -40.3 | 173.6 | -73 | 180 | 178.1 | 0 | 0 | 111.9 | S191 E192 R193 L198 S199 | S191-E195 WeakPolarHBondContact O-CG 3.36Å; S191-E195 PolarHBondContact O-N 2.9Å; E192-E195 PolarHBondContact O-N 3.23Å; R193-E195 VanDerWaalsContact C-N 3.31Å; E195-L198 PolarHBondContact O-N 3.33Å; E195-S199 VanDerWaalsContact O-CB 3.3Å; E195-S199 WeakPolarHBondContact O-CB 3.41Å; E195-S199 PolarHBondContact O-N 2.79Å |
| 196 | E | 84 | Confident | 80.5 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 174.2 | -75.7 | -177.8 | -176.7 | 0 | 0 | 112.5 | L177 E192 R193 S199 C200 | L177-E196 HydrophobicContact CD1-CB 4.5Å; E192-E196 WeakPolarHBondContact O-CG 3.39Å; E192-E196 PolarHBondContact O-N 3.06Å; R193-E196 PolarHBondContact O-N 3.21Å; E196-S199 PolarHBondContact O-N 3.32Å; E196-C200 PolarHBondContact O-N 2.93Å; E196-C200 PolarHBondContact O-SG 2.88Å |
| 197 | S | 86.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67 | -42 | 178.2 | 75.9 | 0 | 0 | 0 | 0 | 111.2 | D178 R193 E194 S199 C200 F201 R258 | D178-S197 WeakPolarHBondContact OD1-CB 3.41Å; D178-S197 PolarHBondContact OD1-OG 2.91Å; R193-S197 PolarHBondContact O-N 3.03Å; E194-S197 PolarHBondContact O-OG 3.15Å; S197-S199 PolarHBondContact O-N 3.42Å; S197-C200 WeakPolarHBondContact O-CB 3.45Å; S197-C200 PolarHBondContact O-N 3.11Å; S197-F201 WeakPolarHBondContact O-CD2 3.25Å; S197-F201 WeakPolarHBondContact O-CG 3.34Å; S197-F201 PolarHBondContact O-N 3.26Å; S197-R258 PolarHBondContact OG-NH2 3.43Å |
| 198 | L | 85.1 | Confident | 82.9 | Confident | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 173.8 | -175 | 72.8 | 0 | 0 | 0 | 111.7 | E194 E195 C200 F201 L202 L255 | E194-L198 WeakPolarHBondContact O-CB 3.37Å; E194-L198 PolarHBondContact O-N 3.33Å; E195-L198 PolarHBondContact O-N 3.33Å; L198-C200 VanDerWaalsContact C-N 3.31Å; L198-C200 PolarHBondContact O-N 2.89Å; L198-F201 PolarHBondContact O-N 2.99Å; L198-F201 VanDerWaalsContact O-N 3.17Å; L198-L202 HydrophobicContact CG-CD1 4.35Å; L198-L202 WeakPolarHBondContact O-CG 3.43Å; L198-L202 PolarHBondContact O-N 2.72Å; L198-L255 HydrophobicContact CD1-CD1 4.22Å; L198-L255 HydrophobicContact CD1-CD2 3.84Å; L198-L255 HydrophobicContact CD1-CG 3.76Å; L198-L255 HydrophobicContact CD2-CD2 4.03Å |
| 199 | S | 86.3 | Confident | 84 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 176.8 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | E195 E196 S197 L202 K203 Y331 | E195-S199 VanDerWaalsContact O-CB 3.3Å; E195-S199 WeakPolarHBondContact O-CB 3.41Å; E195-S199 PolarHBondContact O-N 2.79Å; E196-S199 PolarHBondContact O-N 3.32Å; S197-S199 PolarHBondContact O-N 3.42Å; S199-L202 PolarHBondContact O-N 3.14Å; S199-K203 WeakPolarHBondContact O-CG 3.19Å; S199-K203 PolarHBondContact O-N 3.37Å; S199-Y331 WeakPolarHBondContact OG-CE1 3.49Å |
| 200 | C | 88.2 | Confident | 84.8 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 5% | 0.054 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.2 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | E196 S197 L198 L202 K203 A204 | E196-C200 PolarHBondContact O-N 2.93Å; E196-C200 PolarHBondContact O-SG 2.88Å; S197-C200 WeakPolarHBondContact O-CB 3.45Å; S197-C200 PolarHBondContact O-N 3.11Å; L198-C200 VanDerWaalsContact C-N 3.31Å; L198-C200 PolarHBondContact O-N 2.89Å; C200-L202 PolarHBondContact O-N 3.24Å; C200-K203 PolarHBondContact O-N 3.42Å; C200-A204 WeakPolarHBondContact O-CB 3.38Å; C200-A204 PolarHBondContact O-N 3.01Å |
| 201 | F | 89.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 178.2 | -62.2 | -40.4 | 0 | 0 | 0 | 113.2 | G174 L175 D178 S197 L198 A204 C205 S250 A251 C254 | G174-F201 VanDerWaalsContact C-CZ 3.47Å; L175-F201 HydrophobicContact CD2-CE1 4.07Å; L175-F201 HydrophobicContact CD2-CZ 4.07Å; L175-F201 HydrophobicContact CG-CE1 4.08Å; L175-F201 HydrophobicContact CG-CZ 4.45Å; D178-F201 VanDerWaalsContact OD2-CE2 3.27Å; D178-F201 WeakPolarHBondContact OD2-CE2 3.48Å; D178-F201 VanDerWaalsContact OD2-CZ 3.29Å; D178-F201 WeakPolarHBondContact OD2-CZ 3.45Å; S197-F201 WeakPolarHBondContact O-CD2 3.25Å; S197-F201 WeakPolarHBondContact O-CG 3.34Å; S197-F201 PolarHBondContact O-N 3.26Å; L198-F201 PolarHBondContact O-N 2.99Å; L198-F201 VanDerWaalsContact O-N 3.17Å; F201-A204 PolarHBondContact O-N 3.17Å; F201-C205 WeakPolarHBondContact O-CB 3.24Å; F201-C205 PolarHBondContact O-N 3.03Å; F201-S250 VanDerWaalsContact CD1-CB 3.49Å; F201-S250 WeakPolarHBondContact CD1-OG 3.47Å; F201-S250 WeakPolarHBondContact CG-OG 3.34Å; F201-A251 HydrophobicContact CB-CB 3.83Å; F201-C254 HydrophobicContact CD2-CB 4.23Å; F201-C254 HydrophobicContact CE2-CB 4.27Å |
| 202 | L | 86.9 | Confident | 86.3 | Confident | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 175.9 | -68.4 | 176.7 | 0 | 0 | 0 | 111.6 | L198 S199 C200 A204 C205 D206 A251 Q269 Y331 | L198-L202 HydrophobicContact CG-CD1 4.35Å; L198-L202 WeakPolarHBondContact O-CG 3.43Å; L198-L202 PolarHBondContact O-N 2.72Å; S199-L202 PolarHBondContact O-N 3.14Å; C200-L202 PolarHBondContact O-N 3.24Å; L202-A204 VanDerWaalsContact C-N 3.29Å; L202-A204 PolarHBondContact O-N 2.94Å; L202-C205 PolarHBondContact O-N 3.48Å; L202-D206 PolarHBondContact O-N 3.29Å; L202-D206 VanDerWaalsContact O-N 3.11Å; L202-D206 VanDerWaalsContact O-OD2 3.12Å; L202-A251 HydrophobicContact CD2-CB 3.99Å; L202-Q269 HydrophobicContact CD2-CG 3.9Å; L202-Y331 HydrophobicContact CD1-CE2 4.37Å |
| 203 | K | 86.8 | Confident | 86.8 | Confident | 38 Ų | 38 | 25 Ų | 25 | 17% | 0.165 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 176.3 | -70.2 | 177.5 | 179.7 | 179.8 | 0 | 111.6 | E151 F170 S199 C200 D206 A207 | E151-K203 IonicContact OE1-NZ 3.96Å; E151-K203 PolarHBondContact OE1-NZ 3.4Å; F170-K203 HydrophobicContact CD1-CB 4.24Å; F170-K203 HydrophobicContact CD1-CD 4.45Å; F170-K203 HydrophobicContact CD2-CB 4.09Å; F170-K203 HydrophobicContact CE1-CB 4.32Å; F170-K203 HydrophobicContact CE1-CD 3.9Å; F170-K203 HydrophobicContact CE2-CB 4.16Å; F170-K203 HydrophobicContact CG-CB 4.15Å; F170-K203 HydrophobicContact CZ-CB 4.29Å; F170-K203 HydrophobicContact CZ-CD 4.06Å; S199-K203 WeakPolarHBondContact O-CG 3.19Å; S199-K203 PolarHBondContact O-N 3.37Å; C200-K203 PolarHBondContact O-N 3.42Å; K203-D206 PolarHBondContact O-N 3.05Å; K203-A207 WeakPolarHBondContact O-CB 3.43Å; K203-A207 PolarHBondContact O-N 3.27Å |
| 204 | A | 89.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A167 F170 V171 C200 F201 L202 D206 A207 A208 A247 | A167-A204 WeakPolarHBondContact O-CB 3.48Å; F170-A204 HydrophobicContact CB-CB 3.64Å; V171-A204 HydrophobicContact CB-CB 4.41Å; V171-A204 HydrophobicContact CG2-CB 3.33Å; C200-A204 WeakPolarHBondContact O-CB 3.38Å; C200-A204 PolarHBondContact O-N 3.01Å; F201-A204 PolarHBondContact O-N 3.17Å; L202-A204 VanDerWaalsContact C-N 3.29Å; L202-A204 PolarHBondContact O-N 2.94Å; A204-D206 PolarHBondContact O-N 3.38Å; A204-A207 PolarHBondContact O-N 2.95Å; A204-A208 VanDerWaalsContact O-CB 3.32Å; A204-A208 WeakPolarHBondContact O-CB 3.32Å; A204-A208 PolarHBondContact O-N 3.38Å; A204-A247 HydrophobicContact CB-CB 4.2Å |
| 205 | C | 89.2 | Confident | 87.5 | Confident | 7 Ų | 7 | 20.5 Ų | 20.5 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 178.4 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | F201 L202 A208 L209 A247 | F201-C205 WeakPolarHBondContact O-CB 3.24Å; F201-C205 PolarHBondContact O-N 3.03Å; L202-C205 PolarHBondContact O-N 3.48Å; C205-A208 PolarHBondContact O-N 3.15Å; C205-L209 WeakPolarHBondContact O-CB 3.38Å; C205-L209 VanDerWaalsContact O-CG 3.29Å; C205-L209 WeakPolarHBondContact O-CG 3.49Å; C205-L209 PolarHBondContact O-N 3.37Å; C205-A247 WeakPolarHBondContact CA-O 3.45Å; C205-A247 WeakPolarHBondContact CB-O 3.43Å |
| 206 | D | 87.3 | Confident | 87.7 | Confident | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.032 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 176.5 | -64.9 | -54.4 | 0 | 0 | 0 | 112 | L202 K203 A204 A208 L209 S210 R272 T333 | L202-D206 PolarHBondContact O-N 3.29Å; L202-D206 VanDerWaalsContact O-N 3.11Å; L202-D206 VanDerWaalsContact O-OD2 3.12Å; K203-D206 PolarHBondContact O-N 3.05Å; A204-D206 PolarHBondContact O-N 3.38Å; D206-A208 VanDerWaalsContact C-N 3.3Å; D206-A208 PolarHBondContact O-N 3.41Å; D206-L209 PolarHBondContact O-N 3.12Å; D206-S210 WeakPolarHBondContact O-CB 3.5Å; D206-S210 PolarHBondContact O-N 3.13Å; D206-S210 PolarHBondContact O-OG 3.19Å; D206-R272 IonicContact OD1-CZ 2.83Å; D206-R272 VanDerWaalsContact OD1-CZ 3.22Å; D206-R272 IonicContact OD1-NE 3.97Å; D206-R272 PolarHBondContact OD1-NE 2.88Å; D206-R272 IonicContact OD1-NH2 3.69Å; D206-R272 PolarHBondContact OD1-NH2 3.34Å; D206-R272 IonicContact OD2-CZ 3.8Å; D206-R272 IonicContact OD2-NH1 3.33Å; D206-R272 IonicContact OD2-NH2 3.88Å; D206-R272 PolarHBondContact OD2-NH2 2.92Å; D206-T333 HydrophobicContact CB-CG2 3.87Å; D206-T333 WeakPolarHBondContact OD2-CG2 3.49Å |
| 207 | A | 87.9 | Confident | 87.8 | Confident | 9 Ų | 9 | 14.5 Ų | 14.5 | 7% | 0.074 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L166 A167 K203 A204 Y211 | L166-A207 HydrophobicContact CD2-CB 4.29Å; A167-A207 HydrophobicContact CB-CB 3.8Å; K203-A207 WeakPolarHBondContact O-CB 3.43Å; K203-A207 PolarHBondContact O-N 3.27Å; A204-A207 PolarHBondContact O-N 2.95Å; A207-Y211 WeakPolarHBondContact O-CB 3.34Å; A207-Y211 PolarHBondContact O-N 3.01Å |
| 208 | A | 90.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | A167 A204 C205 D206 Y211 L212 L244 A247 L248 | A167-A208 HydrophobicContact CB-CB 3.99Å; A204-A208 VanDerWaalsContact O-CB 3.32Å; A204-A208 WeakPolarHBondContact O-CB 3.32Å; A204-A208 PolarHBondContact O-N 3.38Å; C205-A208 PolarHBondContact O-N 3.15Å; D206-A208 VanDerWaalsContact C-N 3.3Å; D206-A208 PolarHBondContact O-N 3.41Å; A208-Y211 WeakPolarHBondContact O-CB 3.5Å; A208-Y211 PolarHBondContact O-N 3.25Å; A208-L212 WeakPolarHBondContact O-CG 3.38Å; A208-L212 PolarHBondContact O-N 2.79Å; A208-L244 HydrophobicContact CB-CD2 4.31Å; A208-A247 HydrophobicContact CB-CB 3.88Å; A208-L248 HydrophobicContact CB-CD2 3.82Å; A208-L248 HydrophobicContact CB-CG 4.27Å |
| 209 | L | 89.4 | Confident | 87.1 | Confident | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.6 | -41.4 | 177.4 | -71.1 | 172.3 | 0 | 0 | 0 | 112.1 | C205 D206 Y211 L212 Q213 L248 V273 V276 F285 P337 | C205-L209 WeakPolarHBondContact O-CB 3.38Å; C205-L209 VanDerWaalsContact O-CG 3.29Å; C205-L209 WeakPolarHBondContact O-CG 3.49Å; C205-L209 PolarHBondContact O-N 3.37Å; D206-L209 PolarHBondContact O-N 3.12Å; L209-Y211 VanDerWaalsContact C-N 3.34Å; L209-L212 PolarHBondContact O-N 3.34Å; L209-Q213 WeakPolarHBondContact O-CG 3.39Å; L209-Q213 PolarHBondContact O-N 3.2Å; L209-L248 HydrophobicContact CD2-CD2 3.8Å; L209-L248 HydrophobicContact CG-CD2 3.91Å; L209-V273 HydrophobicContact CD1-CG1 4.48Å; L209-V273 HydrophobicContact CD1-CG2 4.47Å; L209-V276 HydrophobicContact CB-CG1 4.33Å; L209-V276 HydrophobicContact CD1-CB 4.35Å; L209-V276 HydrophobicContact CD1-CG1 4.37Å; L209-V276 HydrophobicContact CD1-CG2 4.02Å; L209-F285 HydrophobicContact CD2-CE1 4.43Å; L209-P337 HydrophobicContact CB-CB 4.03Å; L209-P337 HydrophobicContact CB-CG 4.25Å |
| 210 | S | 88.9 | Confident | 86.3 | Confident | 5 Ų | 5 | 21.9 Ų | 21.9 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.4 | -40 | 173.8 | -67.6 | 0 | 0 | 0 | 0 | 111.6 | D206 Q213 E214 K335 | D206-S210 WeakPolarHBondContact O-CB 3.5Å; D206-S210 PolarHBondContact O-N 3.13Å; D206-S210 PolarHBondContact O-OG 3.19Å; S210-Q213 PolarHBondContact O-N 3.4Å; S210-E214 WeakPolarHBondContact O-CB 3.5Å; S210-E214 WeakPolarHBondContact O-CG 3.44Å; S210-E214 PolarHBondContact O-N 3.21Å; S210-K335 PolarHBondContact OG-O 2.91Å |
| 211 | Y | 89.6 | Confident | 84.9 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.4 | -51 | 172.5 | 165.7 | -114.7 | 0 | 0 | 0 | 111.5 | A21 V160 F163 R164 A207 A208 L209 Q213 E214 L215 L244 | A21-Y211 PolarHBondContact O-OH 3.27Å; V160-Y211 HydrophobicContact CG1-CD2 3.82Å; V160-Y211 HydrophobicContact CG1-CE2 3.9Å; V160-Y211 WeakPolarHBondContact O-CD2 3.5Å; F163-Y211 HydrophobicContact CB-CD2 4.41Å; F163-Y211 HydrophobicContact CB-CG 4.47Å; R164-Y211 HydrophobicContact CB-CD1 4.24Å; R164-Y211 HydrophobicContact CB-CD2 3.9Å; R164-Y211 HydrophobicContact CB-CE1 4.21Å; R164-Y211 HydrophobicContact CB-CE2 3.87Å; R164-Y211 HydrophobicContact CB-CG 4.08Å; A207-Y211 WeakPolarHBondContact O-CB 3.34Å; A207-Y211 PolarHBondContact O-N 3.01Å; A208-Y211 WeakPolarHBondContact O-CB 3.5Å; A208-Y211 PolarHBondContact O-N 3.25Å; L209-Y211 VanDerWaalsContact C-N 3.34Å; Y211-Q213 VanDerWaalsContact C-N 3.34Å; Y211-Q213 PolarHBondContact O-N 3.05Å; Y211-E214 PolarHBondContact O-N 2.96Å; Y211-L215 HydrophobicContact CE1-CD2 4.4Å; Y211-L215 HydrophobicContact CE2-CB 4.48Å; Y211-L215 VanDerWaalsContact O-CB 3.29Å; Y211-L215 WeakPolarHBondContact O-CB 3.35Å; Y211-L215 PolarHBondContact O-N 3.23Å; Y211-L244 HydrophobicContact CD1-CD1 4.3Å; Y211-L244 HydrophobicContact CD1-CD2 4.29Å; Y211-L244 HydrophobicContact CE1-CD1 3.81Å |
| 212 | L | 89.3 | Confident | 82.8 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | -178 | -65.8 | 174.8 | 0 | 0 | 0 | 112.6 | A208 L209 D216 L240 L248 S279 | A208-L212 WeakPolarHBondContact O-CG 3.38Å; A208-L212 PolarHBondContact O-N 2.79Å; L209-L212 PolarHBondContact O-N 3.34Å; L212-D216 PolarHBondContact O-N 3.45Å; L212-L240 HydrophobicContact CD2-CD2 3.78Å; L212-L248 HydrophobicContact CD1-CD1 4.3Å; L212-S279 WeakPolarHBondContact CB-OG 3.39Å |
| 213 | Q | 89.1 | Confident | 80.7 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -43.2 | 176.1 | -73.1 | -176.6 | -19.2 | 0 | 0 | 112.7 | L209 S210 Y211 D216 K217 V277 Q338 | L209-Q213 WeakPolarHBondContact O-CG 3.39Å; L209-Q213 PolarHBondContact O-N 3.2Å; S210-Q213 PolarHBondContact O-N 3.4Å; Y211-Q213 VanDerWaalsContact C-N 3.34Å; Y211-Q213 PolarHBondContact O-N 3.05Å; Q213-D216 PolarHBondContact O-N 3.48Å; Q213-K217 WeakPolarHBondContact O-CG 3.38Å; Q213-K217 PolarHBondContact O-N 3.1Å; Q213-V277 PolarHBondContact NE2-O 3.17Å; Q213-Q338 PolarHBondContact NE2-O 3.04Å |
| 214 | E | 86.4 | Confident | 78.3 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.6 | -33.7 | 178 | -66.7 | -60.8 | 149 | 0 | 0 | 111.8 | V160 S210 Y211 K217 M218 K335 | V160-E214 HydrophobicContact CG1-CB 4.22Å; V160-E214 HydrophobicContact CG2-CB 4.24Å; S210-E214 WeakPolarHBondContact O-CB 3.5Å; S210-E214 WeakPolarHBondContact O-CG 3.44Å; S210-E214 PolarHBondContact O-N 3.21Å; Y211-E214 PolarHBondContact O-N 2.96Å; E214-K217 PolarHBondContact O-N 2.93Å; E214-K217 IonicContact OE1-NZ 2.55Å; E214-K217 PolarHBondContact OE1-NZ 2.81Å; E214-M218 WeakPolarHBondContact O-CB 3.47Å; E214-M218 PolarHBondContact O-N 3.41Å; E214-K335 VanDerWaalsContact CD-NZ 3.26Å; E214-K335 WeakPolarHBondContact OE1-CE 3.37Å; E214-K335 IonicContact OE1-NZ 3.34Å; E214-K335 PolarHBondContact OE1-NZ 3.34Å; E214-K335 IonicContact OE2-NZ 3.74Å |
| 215 | L | 86.8 | Confident | 76 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 172.4 | -174.9 | 68.3 | 0 | 0 | 0 | 111.3 | A21 E22 V160 Y211 K217 M218 V219 V238 | A21-L215 HydrophobicContact CB-CD1 4.36Å; A21-L215 WeakPolarHBondContact O-CD1 3.47Å; E22-L215 HydrophobicContact CG-CD1 4.46Å; V160-L215 HydrophobicContact CG1-CB 4.19Å; V160-L215 HydrophobicContact CG1-CD1 4.43Å; Y211-L215 HydrophobicContact CE1-CD2 4.4Å; Y211-L215 HydrophobicContact CE2-CB 4.48Å; Y211-L215 VanDerWaalsContact O-CB 3.29Å; Y211-L215 WeakPolarHBondContact O-CB 3.35Å; Y211-L215 PolarHBondContact O-N 3.23Å; L215-K217 PolarHBondContact O-N 3.48Å; L215-M218 WeakPolarHBondContact O-CB 3.48Å; L215-M218 PolarHBondContact O-N 3.32Å; L215-V219 WeakPolarHBondContact O-CG2 3.13Å; L215-V219 PolarHBondContact O-N 3.01Å; L215-V238 HydrophobicContact CD2-CG1 4.05Å; L215-V238 HydrophobicContact CD2-CG2 4.21Å |
| 216 | D | 85.2 | Confident | 73.4 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -41 | 177 | -90.3 | -0.2 | 0 | 0 | 0 | 111.9 | L212 Q213 M218 V219 T220 S279 R280 | L212-D216 PolarHBondContact O-N 3.45Å; Q213-D216 PolarHBondContact O-N 3.48Å; D216-M218 VanDerWaalsContact C-N 3.31Å; D216-M218 PolarHBondContact O-N 2.88Å; D216-V219 PolarHBondContact O-N 3.24Å; D216-T220 VanDerWaalsContact O-CB 3.24Å; D216-T220 WeakPolarHBondContact O-CB 3.23Å; D216-T220 PolarHBondContact O-N 3Å; D216-T220 PolarHBondContact O-OG1 2.89Å; D216-S279 WeakPolarHBondContact OD2-CA 3.34Å; D216-S279 WeakPolarHBondContact OD2-CB 3.49Å; D216-R280 PolarHBondContact OD2-N 3.13Å |
| 217 | K | 84.9 | Confident | 70.7 | Confident | 86 Ų | 86 | 61.4 Ų | 61.4 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 173.1 | -70.9 | 172.1 | -166.6 | 173.2 | 0 | 111.2 | Q213 E214 L215 T220 I221 | Q213-K217 WeakPolarHBondContact O-CG 3.38Å; Q213-K217 PolarHBondContact O-N 3.1Å; E214-K217 PolarHBondContact O-N 2.93Å; E214-K217 IonicContact OE1-NZ 2.55Å; E214-K217 PolarHBondContact OE1-NZ 2.81Å; L215-K217 PolarHBondContact O-N 3.48Å; K217-T220 PolarHBondContact O-N 3.48Å; K217-I221 WeakPolarHBondContact O-CD1 3.43Å; K217-I221 VanDerWaalsContact O-CG1 3.27Å; K217-I221 WeakPolarHBondContact O-CG1 3.39Å; K217-I221 PolarHBondContact O-N 3.49Å |
| 218 | M | 81.5 | Confident | 68.2 | Low | 62 Ų | 62 | 71.6 Ų | 71.6 | 31% | 0.305 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 179.7 | -172.6 | -179.4 | -170.3 | 0 | 0 | 112.6 | R18 A21 V160 E214 L215 D216 | R18-M218 HydrophobicContact CB-CE 3.52Å; R18-M218 HydrophobicContact CG-CE 3.54Å; A21-M218 HydrophobicContact CB-SD 4.15Å; V160-M218 HydrophobicContact CB-SD 4.49Å; V160-M218 HydrophobicContact CG2-SD 4.06Å; E214-M218 WeakPolarHBondContact O-CB 3.47Å; E214-M218 PolarHBondContact O-N 3.41Å; L215-M218 WeakPolarHBondContact O-CB 3.48Å; L215-M218 PolarHBondContact O-N 3.32Å; D216-M218 VanDerWaalsContact C-N 3.31Å; D216-M218 PolarHBondContact O-N 2.88Å |
| 219 | V | 76.5 | Confident | 65.5 | Low | 48 Ų | 48 | 75.1 Ų | 75.1 | 29% | 0.291 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -75.7 | -30.2 | -179.6 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | L215 D216 | L215-V219 WeakPolarHBondContact O-CG2 3.13Å; L215-V219 PolarHBondContact O-N 3.01Å; D216-V219 PolarHBondContact O-N 3.24Å |
| 220 | T | 68.9 | Low | 62.4 | Low | 85 Ų | 85 | 79.9 Ų | 79.9 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -84.9 | -22.4 | -174.1 | -48.3 | 0 | 0 | 0 | 0 | 113.5 | D216 K217 P222 | D216-T220 VanDerWaalsContact O-CB 3.24Å; D216-T220 WeakPolarHBondContact O-CB 3.23Å; D216-T220 PolarHBondContact O-N 3Å; D216-T220 PolarHBondContact O-OG1 2.89Å; K217-T220 PolarHBondContact O-N 3.48Å; T220-P222 VanDerWaalsContact O-CD 3.27Å; T220-P222 WeakPolarHBondContact O-CD 3.32Å |
| 221 | I | 59.3 | Low | 59.7 | Low | 114 Ų | 114 | 87.5 Ų | 87.5 | 59% | 0.585 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -79.2 | 113.4 | 176.9 | -63.5 | 164 | 0 | 0 | 0 | 109.7 | K217 H223 | K217-I221 WeakPolarHBondContact O-CD1 3.43Å; K217-I221 VanDerWaalsContact O-CG1 3.27Å; K217-I221 WeakPolarHBondContact O-CG1 3.39Å; K217-I221 PolarHBondContact O-N 3.49Å; I221-H223 PolarHBondContact O-N 3.26Å |
| 222 | P | 44.2 | Very low | 56.9 | Low | 115 Ų | 115 | 96.3 Ų | 96.3 | 75% | 0.747 | 54% | 0.537 | S | S | * | . | trans | -73.7 | 118.6 | 171.4 | 19.1 | -10.4 | 0 | 0 | 0 | 109 | T220 A224 | T220-P222 VanDerWaalsContact O-CD 3.27Å; T220-P222 WeakPolarHBondContact O-CD 3.32Å; P222-A224 PolarHBondContact O-N 3.39Å | ||
| 223 | H | 43.5 | Very low | 54.1 | Low | 167 Ų | 167 | 101.1 Ų | 101.1 | 77% | 0.773 | 57% | 0.571 | S | S | * | * | trans | -63.8 | 102.2 | 169.6 | -97.3 | -68.5 | 0 | 0 | 0 | 110 | I221 K225 | I221-H223 PolarHBondContact O-N 3.26Å; H223-K225 VanDerWaalsContact C-N 3.26Å; H223-K225 PolarHBondContact O-N 2.93Å | ||
| 224 | A | 37.3 | Very low | 51.4 | Low | 96 Ų | 96 | 104.2 Ų | 104.2 | 79% | 0.793 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -68.8 | 83.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P222 | P222-A224 PolarHBondContact O-N 3.39Š|
| 225 | K | 40.6 | Very low | 49.2 | Very low | 196 Ų | 196 | 106.3 Ų | 106.3 | 85% | 0.852 | 62% | 0.622 | S | S | * | * | trans | 166.1 | 68.1 | 153.5 | -92 | 164.2 | -173.6 | -179.1 | 0 | 110.2 | H223 | H223-K225 VanDerWaalsContact C-N 3.26Å; H223-K225 PolarHBondContact O-N 2.93Å | ||
| 226 | M | 34.9 | Very low | 47.4 | Very low | 140 Ų | 140 | 109.2 Ų | 109.2 | 69% | 0.69 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -161.7 | 141.2 | 150.1 | -109.9 | 151.1 | 61.9 | 0 | 0 | 110.3 | R11 | R11-M226 PolarHBondContact NH2-SD 3.42Å; R11-M226 VanDerWaalsContact NH2-SD 3.4Å |
| 227 | G | 31.2 | Very low | 46 | Very low | 75 Ų | 75 | 114.7 Ų | 114.7 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | trans | -16.6 | 134 | -173.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | G229 | G227-G229 PolarHBondContact O-N 3.33Å; G227-G229 VanDerWaalsContact O-N 3.14Å | ||
| 228 | K | 35.5 | Very low | 45 | Very low | 223 Ų | 223 | 112.9 Ų | 112.9 | 97% | 0.97 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -48.6 | 113.4 | 162.4 | -74.4 | 177.2 | 174.4 | 179.4 | 0 | 110.3 | ||
| 229 | G | 31.5 | Very low | 44.5 | Very low | 75 Ų | 75 | 116.9 Ų | 116.9 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | 158.4 | 52.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G227 | G227-G229 PolarHBondContact O-N 3.33Å; G227-G229 VanDerWaalsContact O-N 3.14Å | ||
| 230 | S | 25.7 | Very low | 44.7 | Very low | 102 Ų | 102 | 115.6 Ų | 115.6 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | trans | -173.2 | 88.8 | 150.3 | -165.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 231 | L | 31.1 | Very low | 45.4 | Very low | 166 Ų | 166 | 112.6 Ų | 112.6 | 87% | 0.869 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -69.8 | 127.7 | 162.6 | -78.3 | 149 | 0 | 0 | 0 | 106.2 | ||
| 232 | F | 30.7 | Very low | 46.8 | Very low | 188 Ų | 188 | 108.5 Ų | 108.5 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | trans | 77.2 | 89.8 | -170.6 | -49.8 | -77 | 0 | 0 | 0 | 114.6 | A234 | F232-A234 PolarHBondContact O-N 2.84Š| ||
| 233 | S | 31.9 | Very low | 49 | Very low | 106 Ų | 106 | 103.3 Ų | 103.3 | 74% | 0.741 | 61% | 0.609 | S | S | * | * | trans | -64.7 | 111.7 | 148.2 | -179 | 0 | 0 | 0 | 0 | 105.9 | A235 | S233-A235 PolarHBondContact O-N 2.87Š| ||
| 234 | A | 32.8 | Very low | 51.1 | Low | 78 Ų | 78 | 95.8 Ų | 95.8 | 65% | 0.645 | 57% | 0.574 | S | S | * | * | trans | -49.4 | 137.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | F232 V236 | F232-A234 PolarHBondContact O-N 2.84Å; A234-V236 PolarHBondContact O-N 3.21Å | ||
| 235 | A | 39.5 | Very low | 53.6 | Low | 80 Ų | 80 | 93.7 Ų | 93.7 | 66% | 0.661 | 55% | 0.548 | S | S | * | . | trans | -54.7 | 114.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | S233 D237 | S233-A235 PolarHBondContact O-N 2.87Å; A235-D237 PolarHBondContact O-N 3.07Å | ||
| 236 | V | 48.5 | Very low | 55.9 | Low | 65 Ų | 65 | 85.1 Ų | 85.1 | 39% | 0.394 | 51% | 0.513 | S | S | . | . | trans | -75.7 | 106.5 | 170.8 | 179.5 | 0 | 0 | 0 | 0 | 105.4 | A234 V238 | A234-V236 PolarHBondContact O-N 3.21Å; V236-V238 PolarHBondContact O-N 3.38Å | ||
| 237 | D | 55.7 | Low | 58.5 | Low | 142 Ų | 142 | 78.4 Ų | 78.4 | 76% | 0.759 | 48% | 0.48 | S | S | * | . | trans | -61.4 | 118.9 | 164.1 | -81.9 | -28.1 | 0 | 0 | 0 | 107.4 | A235 D239 | A235-D237 PolarHBondContact O-N 3.07Å; D237-D239 PolarHBondContact O-N 2.67Å | ||
| 238 | V | 64.3 | Low | 61.2 | Low | 48 Ų | 48 | 75 Ų | 75 | 29% | 0.291 | 45% | 0.445 | S | S | . | . | trans | -85 | 91 | -179.7 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | L215 V236 L240 | L215-V238 HydrophobicContact CD2-CG1 4.05Å; L215-V238 HydrophobicContact CD2-CG2 4.21Å; V236-V238 PolarHBondContact O-N 3.38Å; V238-L240 HydrophobicContact CG1-CD2 4.41Å; V238-L240 PolarHBondContact O-N 3.28Å; V238-L240 VanDerWaalsContact O-N 3.14Å | ||
| 239 | D | 70.3 | Confident | 63.8 | Low | 145 Ų | 145 | 67.7 Ų | 67.7 | 78% | 0.775 | 41% | 0.414 | S | S | * | . | trans | -68.6 | 107.6 | 172.3 | -79.6 | -25 | 0 | 0 | 0 | 110.3 | D237 G241 | D237-D239 PolarHBondContact O-N 2.67Å; D239-G241 PolarHBondContact O-N 3.3Å | ||
| 240 | L | 81.6 | Confident | 66.4 | Low | 22 Ų | 22 | 64.7 Ų | 64.7 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | trans | -70.5 | 121 | 178 | -63.5 | 176.9 | 0 | 0 | 0 | 110.9 | L212 V238 L244 Q245 L248 G281 | L212-L240 HydrophobicContact CD2-CD2 3.78Å; V238-L240 HydrophobicContact CG1-CD2 4.41Å; V238-L240 PolarHBondContact O-N 3.28Å; V238-L240 VanDerWaalsContact O-N 3.14Å; L240-L244 HydrophobicContact CD2-CD1 4.46Å; L240-Q245 HydrophobicContact CB-CG 3.72Å; L240-Q245 HydrophobicContact CD1-CG 4.43Å; L240-Q245 PolarHBondContact O-NE2 2.89Å; L240-L248 HydrophobicContact CD1-CD1 4.05Å; L240-G281 WeakPolarHBondContact CD1-O 3.27Å | ||
| 241 | G | 84.4 | Confident | 69.1 | Low | 21 Ų | 21 | 60.1 Ų | 60.1 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | trans | -64.7 | 164.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D239 F243 L244 Q245 | D239-G241 PolarHBondContact O-N 3.3Å; G241-F243 PolarHBondContact O-N 3.37Å; G241-L244 PolarHBondContact O-N 2.96Å; G241-L244 VanDerWaalsContact O-N 3.16Å; G241-Q245 PolarHBondContact O-N 3.04Å | ||
| 242 | F | 88.7 | Confident | 71.5 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 13% | 0.127 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -51.2 | -49.6 | -174.6 | 171.9 | -102.2 | 0 | 0 | 0 | 113.8 | M83 L86 R87 Y133 L244 Q245 A246 | M83-F242 HydrophobicContact CE-CB 3.85Å; M83-F242 HydrophobicContact SD-CB 3.61Å; M83-F242 PolarHBondContact SD-N 3.24Å; L86-F242 HydrophobicContact CB-CD1 4.13Å; L86-F242 HydrophobicContact CB-CD2 3.93Å; L86-F242 HydrophobicContact CB-CE1 4.31Å; L86-F242 HydrophobicContact CB-CE2 4.13Å; L86-F242 HydrophobicContact CB-CG 3.93Å; L86-F242 HydrophobicContact CB-CZ 4.31Å; L86-F242 HydrophobicContact CD1-CB 4.07Å; L86-F242 HydrophobicContact CD1-CD1 4.34Å; L86-F242 HydrophobicContact CD1-CG 4.22Å; R87-F242 HydrophobicContact CG-CD2 4.18Å; R87-F242 HydrophobicContact CG-CE2 4.22Å; Y133-F242 HydrophobicContact CE1-CE1 4.42Å; F242-L244 VanDerWaalsContact C-N 3.34Å; F242-L244 PolarHBondContact O-N 3.32Å; F242-Q245 PolarHBondContact O-N 3.44Å; F242-A246 WeakPolarHBondContact O-CB 3.41Å; F242-A246 PolarHBondContact O-N 3.49Å |
| 243 | F | 89.7 | Confident | 74.1 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.022 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.6 | -31.5 | -176 | -67.2 | -70.5 | 0 | 0 | 0 | 113 | L79 K130 Y133 V134 E168 V171 I172 G241 A247 | L79-F243 HydrophobicContact CD1-CD2 4.43Å; L79-F243 HydrophobicContact CD1-CE2 3.98Å; L79-F243 HydrophobicContact CD2-CE2 4.4Å; K130-F243 HydrophobicContact CD-CD2 4.07Å; K130-F243 HydrophobicContact CD-CE2 3.85Å; K130-F243 HydrophobicContact CG-CD2 4.22Å; K130-F243 HydrophobicContact CG-CE2 3.61Å; K130-F243 HydrophobicContact CG-CZ 4.03Å; Y133-F243 AromaticContact CD1-CE1 3.52Å; Y133-F243 HydrophobicContact CD1-CE1 3.52Å; Y133-F243 AromaticContact CD1-CZ 3.66Å; Y133-F243 HydrophobicContact CD1-CZ 3.66Å; Y133-F243 AromaticContact CE1-CE1 3.64Å; Y133-F243 HydrophobicContact CE1-CE1 3.64Å; Y133-F243 HydrophobicContact CE1-CZ 4.07Å; Y133-F243 HydrophobicContact CG-CE1 4.35Å; V134-F243 HydrophobicContact CG2-CE2 4.23Å; V134-F243 HydrophobicContact CG2-CZ 3.87Å; E168-F243 HydrophobicContact CB-CB 4.13Å; E168-F243 HydrophobicContact CG-CB 3.74Å; V171-F243 HydrophobicContact CG1-CD1 4.45Å; I172-F243 HydrophobicContact CD1-CD1 4.26Å; I172-F243 HydrophobicContact CD1-CE1 4.2Å; I172-F243 HydrophobicContact CG1-CD1 3.73Å; I172-F243 HydrophobicContact CG1-CE1 3.62Å; I172-F243 HydrophobicContact CG1-CZ 4.34Å; G241-F243 PolarHBondContact O-N 3.37Å; F243-A247 WeakPolarHBondContact O-CB 3.45Å; F243-A247 PolarHBondContact O-N 2.94Å |
| 244 | L | 88.3 | Confident | 76.5 | Confident | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.3 | -41.5 | 173.6 | -76.2 | 175.4 | 0 | 0 | 0 | 111.6 | R164 A167 E168 A208 Y211 L240 G241 F242 A246 A247 L248 | R164-L244 HydrophobicContact CG-CD1 3.99Å; R164-L244 HydrophobicContact CG-CD2 4.11Å; R164-L244 HydrophobicContact CG-CG 4.25Å; A167-L244 HydrophobicContact CB-CD2 4.28Å; E168-L244 HydrophobicContact CG-CD2 4.5Å; E168-L244 HydrophobicContact CG-CG 4.49Å; A208-L244 HydrophobicContact CB-CD2 4.31Å; Y211-L244 HydrophobicContact CD1-CD1 4.3Å; Y211-L244 HydrophobicContact CD1-CD2 4.29Å; Y211-L244 HydrophobicContact CE1-CD1 3.81Å; L240-L244 HydrophobicContact CD2-CD1 4.46Å; G241-L244 PolarHBondContact O-N 2.96Å; G241-L244 VanDerWaalsContact O-N 3.16Å; F242-L244 VanDerWaalsContact C-N 3.34Å; F242-L244 PolarHBondContact O-N 3.32Å; L244-A246 VanDerWaalsContact C-N 3.3Å; L244-A246 PolarHBondContact O-N 2.96Å; L244-A247 WeakPolarHBondContact O-CB 3.48Å; L244-A247 PolarHBondContact O-N 2.9Å; L244-A247 VanDerWaalsContact O-N 3.17Å; L244-L248 WeakPolarHBondContact O-CG 3.34Å; L244-L248 PolarHBondContact O-N 2.89Å; L244-L248 VanDerWaalsContact O-N 3.15Å |
| 245 | Q | 89.1 | Confident | 78.7 | Confident | 53 Ų | 53 | 38.5 Ų | 38.5 | 25% | 0.248 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 171.3 | -66.9 | -177.3 | -5.4 | 0 | 0 | 110.7 | L240 G241 F242 A247 L248 Q249 | L240-Q245 HydrophobicContact CB-CG 3.72Å; L240-Q245 HydrophobicContact CD1-CG 4.43Å; L240-Q245 PolarHBondContact O-NE2 2.89Å; G241-Q245 PolarHBondContact O-N 3.04Å; F242-Q245 PolarHBondContact O-N 3.44Å; Q245-A247 VanDerWaalsContact C-N 3.33Å; Q245-A247 PolarHBondContact O-N 3.39Å; Q245-L248 PolarHBondContact O-N 3.1Å; Q245-Q249 WeakPolarHBondContact O-CB 3.24Å; Q245-Q249 VanDerWaalsContact O-CG 3.29Å; Q245-Q249 WeakPolarHBondContact O-CG 3.33Å; Q245-Q249 PolarHBondContact O-N 2.94Å; Q245-Q249 VanDerWaalsContact O-N 3.09Å |
| 246 | A | 88.7 | Confident | 80.5 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -33.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V171 L175 F242 L244 Q249 S250 | V171-A246 HydrophobicContact CG1-CB 3.84Å; L175-A246 HydrophobicContact CD1-CB 4.37Å; F242-A246 WeakPolarHBondContact O-CB 3.41Å; F242-A246 PolarHBondContact O-N 3.49Å; L244-A246 VanDerWaalsContact C-N 3.3Å; L244-A246 PolarHBondContact O-N 2.96Å; A246-Q249 PolarHBondContact O-N 3.06Å; A246-S250 WeakPolarHBondContact O-CB 3.43Å; A246-S250 PolarHBondContact O-N 3.25Å; A246-S250 PolarHBondContact O-OG 3.32Å |
| 247 | A | 89.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A167 V171 A204 C205 A208 F243 L244 Q245 | A167-A247 HydrophobicContact CB-CB 4.5Å; V171-A247 HydrophobicContact CG2-CB 3.5Å; V171-A247 VanDerWaalsContact CG2-CB 3.5Å; A204-A247 HydrophobicContact CB-CB 4.2Å; C205-A247 WeakPolarHBondContact CA-O 3.45Å; C205-A247 WeakPolarHBondContact CB-O 3.43Å; A208-A247 HydrophobicContact CB-CB 3.88Å; F243-A247 WeakPolarHBondContact O-CB 3.45Å; F243-A247 PolarHBondContact O-N 2.94Å; L244-A247 WeakPolarHBondContact O-CB 3.48Å; L244-A247 PolarHBondContact O-N 2.9Å; L244-A247 VanDerWaalsContact O-N 3.17Å; Q245-A247 VanDerWaalsContact C-N 3.33Å; Q245-A247 PolarHBondContact O-N 3.39Å |
| 248 | L | 88.5 | Confident | 82.7 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.4 | -33.2 | 179.2 | -63.6 | 172.5 | 0 | 0 | 0 | 111.6 | A208 L209 L212 L240 L244 Q245 F285 | A208-L248 HydrophobicContact CB-CD2 3.82Å; A208-L248 HydrophobicContact CB-CG 4.27Å; L209-L248 HydrophobicContact CD2-CD2 3.8Å; L209-L248 HydrophobicContact CG-CD2 3.91Å; L212-L248 HydrophobicContact CD1-CD1 4.3Å; L240-L248 HydrophobicContact CD1-CD1 4.05Å; L244-L248 WeakPolarHBondContact O-CG 3.34Å; L244-L248 PolarHBondContact O-N 2.89Å; L244-L248 VanDerWaalsContact O-N 3.15Å; Q245-L248 PolarHBondContact O-N 3.1Å; L248-F285 HydrophobicContact CB-CD1 3.87Å; L248-F285 HydrophobicContact CB-CD2 4.12Å; L248-F285 HydrophobicContact CB-CE1 3.82Å; L248-F285 HydrophobicContact CB-CE2 4.17Å; L248-F285 HydrophobicContact CB-CG 3.98Å; L248-F285 HydrophobicContact CB-CZ 3.96Å; L248-F285 HydrophobicContact CD1-CB 4.24Å; L248-F285 HydrophobicContact CD1-CD1 3.96Å; L248-F285 HydrophobicContact CD1-CG 4.17Å; L248-F285 HydrophobicContact CD2-CD1 3.93Å; L248-F285 HydrophobicContact CD2-CE1 3.8Å; L248-F285 HydrophobicContact CG-CD1 4.13Å; L248-F285 HydrophobicContact CG-CE1 4.26Å; L248-F285 WeakPolarHBondContact O-CE2 3.11Å; L248-F285 WeakPolarHBondContact O-CZ 3.35Å |
| 249 | Q | 89.2 | Confident | 82.5 | Confident | 69 Ų | 69 | 39.1 Ų | 39.1 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -99.1 | -33.2 | -168.1 | -60.6 | 179.3 | 1.6 | 0 | 0 | 116.3 | Q245 A246 A251 Y252 L253 F285 | Q245-Q249 WeakPolarHBondContact O-CB 3.24Å; Q245-Q249 VanDerWaalsContact O-CG 3.29Å; Q245-Q249 WeakPolarHBondContact O-CG 3.33Å; Q245-Q249 PolarHBondContact O-N 2.94Å; Q245-Q249 VanDerWaalsContact O-N 3.09Å; A246-Q249 PolarHBondContact O-N 3.06Å; Q249-A251 VanDerWaalsContact C-N 3.31Å; Q249-A251 PolarHBondContact O-N 3.33Å; Q249-Y252 HydrophobicContact CB-CE1 3.83Å; Q249-Y252 HydrophobicContact CG-CE1 3.97Å; Q249-Y252 WeakPolarHBondContact O-CD1 3.45Å; Q249-Y252 WeakPolarHBondContact O-CE1 3.46Å; Q249-Y252 PolarHBondContact O-N 3.28Å; Q249-L253 HydrophobicContact CB-CD1 4Å; Q249-L253 WeakPolarHBondContact O-CG 3.42Å; Q249-L253 PolarHBondContact O-N 2.88Å; Q249-L253 VanDerWaalsContact O-N 3.1Å; Q249-F285 HydrophobicContact CG-CD2 4.43Å |
| 250 | S | 86.4 | Confident | 81.7 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 8% | 0.077 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -39.1 | -170.5 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | F201 A246 Y252 L253 C254 | F201-S250 VanDerWaalsContact CD1-CB 3.49Å; F201-S250 WeakPolarHBondContact CD1-OG 3.47Å; F201-S250 WeakPolarHBondContact CG-OG 3.34Å; A246-S250 WeakPolarHBondContact O-CB 3.43Å; A246-S250 PolarHBondContact O-N 3.25Å; A246-S250 PolarHBondContact O-OG 3.32Å; S250-Y252 PolarHBondContact O-N 3.47Å; S250-L253 PolarHBondContact O-N 3.23Å; S250-C254 WeakPolarHBondContact O-CB 3.36Å; S250-C254 PolarHBondContact O-N 3.22Å |
| 251 | A | 83.3 | Confident | 80.7 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -49 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F201 L202 Q249 L255 | F201-A251 HydrophobicContact CB-CB 3.83Å; L202-A251 HydrophobicContact CD2-CB 3.99Å; Q249-A251 VanDerWaalsContact C-N 3.31Å; Q249-A251 PolarHBondContact O-N 3.33Å; A251-L255 WeakPolarHBondContact O-CG 3.26Å; A251-L255 PolarHBondContact O-N 2.65Å |
| 252 | Y | 81.6 | Confident | 80 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -80.3 | -31.7 | -177.7 | 77.6 | -106.8 | 0 | 0 | 0 | 111.8 | Q249 S250 C254 L255 L256 Y266 L270 F285 K292 | Q249-Y252 HydrophobicContact CB-CE1 3.83Å; Q249-Y252 HydrophobicContact CG-CE1 3.97Å; Q249-Y252 WeakPolarHBondContact O-CD1 3.45Å; Q249-Y252 WeakPolarHBondContact O-CE1 3.46Å; Q249-Y252 PolarHBondContact O-N 3.28Å; S250-Y252 PolarHBondContact O-N 3.47Å; Y252-C254 VanDerWaalsContact C-N 3.35Å; Y252-L255 PolarHBondContact O-N 3.5Å; Y252-L256 HydrophobicContact CD2-CD1 4.13Å; Y252-L256 PolarHBondContact O-N 2.94Å; Y252-Y266 AromaticContact CD2-CE2 3.87Å; Y252-Y266 HydrophobicContact CD2-CE2 3.87Å; Y252-Y266 HydrophobicContact CG-CE2 4.21Å; Y252-Y266 WeakPolarHBondContact O-CD2 3.38Å; Y252-Y266 VanDerWaalsContact O-CE2 3.32Å; Y252-Y266 WeakPolarHBondContact O-CE2 3.36Å; Y252-L270 HydrophobicContact CD1-CD2 4.35Å; Y252-L270 HydrophobicContact CG-CD2 4.14Å; Y252-F285 HydrophobicContact CD1-CE2 4.11Å; Y252-F285 HydrophobicContact CE1-CD2 4.37Å; Y252-F285 AromaticContact CE1-CE2 3.58Å; Y252-F285 HydrophobicContact CE1-CE2 3.58Å; Y252-F285 HydrophobicContact CE1-CZ 4.46Å; Y252-K292 HydrophobicContact CD2-CD 4.45Å; Y252-K292 HydrophobicContact CE2-CD 3.81Å; Y252-K292 VanDerWaalsContact CE2-NZ 3.29Å; Y252-K292 PolarHBondContact OH-NZ 3.49Å |
| 253 | L | 84.4 | Confident | 79.4 | Confident | 66 Ų | 66 | 43.7 Ų | 43.7 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64 | -41.6 | 174.2 | -72 | 175.2 | 0 | 0 | 0 | 111.5 | Q249 S250 L255 L256 Q257 | Q249-L253 HydrophobicContact CB-CD1 4Å; Q249-L253 WeakPolarHBondContact O-CG 3.42Å; Q249-L253 PolarHBondContact O-N 2.88Å; Q249-L253 VanDerWaalsContact O-N 3.1Å; S250-L253 PolarHBondContact O-N 3.23Å; L253-L255 VanDerWaalsContact C-N 3.32Å; L253-L255 PolarHBondContact O-N 3.38Å; L253-L256 HydrophobicContact CD2-CD1 4.47Å; L253-L256 WeakPolarHBondContact O-CB 3.5Å; L253-L256 PolarHBondContact O-N 2.94Å; L253-Q257 WeakPolarHBondContact O-CG 3.46Å; L253-Q257 PolarHBondContact O-N 3.44Å |
| 254 | C | 81.8 | Confident | 78.8 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 5% | 0.054 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.9 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | F201 S250 Y252 Q257 R258 | F201-C254 HydrophobicContact CD2-CB 4.23Å; F201-C254 HydrophobicContact CE2-CB 4.27Å; S250-C254 WeakPolarHBondContact O-CB 3.36Å; S250-C254 PolarHBondContact O-N 3.22Å; Y252-C254 VanDerWaalsContact C-N 3.35Å; C254-Q257 PolarHBondContact O-N 3.24Å; C254-R258 VanDerWaalsContact O-CG 3.26Å; C254-R258 WeakPolarHBondContact O-CG 3.47Å; C254-R258 PolarHBondContact O-N 3.38Å; C254-R258 PolarHBondContact SG-NE 3.46Å; C254-R258 PolarHBondContact SG-NH2 2.91Å |
| 255 | L | 80.2 | Confident | 78.4 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -34.7 | 175.4 | -71.4 | 170 | 0 | 0 | 0 | 113.3 | L198 A251 Y252 L253 N262 K265 Y266 Q269 | L198-L255 HydrophobicContact CD1-CD1 4.22Å; L198-L255 HydrophobicContact CD1-CD2 3.84Å; L198-L255 HydrophobicContact CD1-CG 3.76Å; L198-L255 HydrophobicContact CD2-CD2 4.03Å; A251-L255 WeakPolarHBondContact O-CG 3.26Å; A251-L255 PolarHBondContact O-N 2.65Å; Y252-L255 PolarHBondContact O-N 3.5Å; L253-L255 VanDerWaalsContact C-N 3.32Å; L253-L255 PolarHBondContact O-N 3.38Å; L255-N262 HydrophobicContact CD2-CB 4.46Å; L255-K265 HydrophobicContact CD1-CB 4.46Å; L255-K265 HydrophobicContact CD2-CB 4.05Å; L255-Y266 HydrophobicContact CB-CD2 4Å; L255-Q269 HydrophobicContact CD1-CB 4.18Å; L255-Q269 HydrophobicContact CD1-CG 3.53Å |
| 256 | L | 77.6 | Confident | 78.1 | Confident | 84 Ų | 84 | 46.8 Ų | 46.8 | 44% | 0.44 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.9 | -46 | 173 | -83.8 | 157.6 | 0 | 0 | 0 | 112 | Y252 L253 R258 G259 Y266 | Y252-L256 HydrophobicContact CD2-CD1 4.13Å; Y252-L256 PolarHBondContact O-N 2.94Å; L253-L256 HydrophobicContact CD2-CD1 4.47Å; L253-L256 WeakPolarHBondContact O-CB 3.5Å; L253-L256 PolarHBondContact O-N 2.94Å; L256-R258 PolarHBondContact O-N 3.11Å; L256-G259 PolarHBondContact O-N 3.15Å; L256-Y266 HydrophobicContact CD1-CD2 4.46Å; L256-Y266 HydrophobicContact CD1-CE2 3.52Å; L256-Y266 WeakPolarHBondContact CD1-OH 3.2Å; L256-Y266 HydrophobicContact CD2-CE1 4.45Å; L256-Y266 HydrophobicContact CD2-CE2 4.14Å; L256-Y266 HydrophobicContact CG-CD2 3.94Å; L256-Y266 HydrophobicContact CG-CE2 3.43Å; L256-Y266 VanDerWaalsContact CG-CE2 3.43Å |
| 257 | Q | 76.4 | Confident | 78 | Confident | 165 Ų | 165 | 46.1 Ų | 46.1 | 77% | 0.771 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.4 | -25.7 | -177.7 | -72.7 | 176.7 | -7.9 | 0 | 0 | 113.1 | L253 C254 G259 | L253-Q257 WeakPolarHBondContact O-CG 3.46Å; L253-Q257 PolarHBondContact O-N 3.44Å; C254-Q257 PolarHBondContact O-N 3.24Å; Q257-G259 VanDerWaalsContact C-N 3.3Å; Q257-G259 PolarHBondContact O-N 3.24Å |
| 258 | R | 72.8 | Confident | 77.8 | Confident | 63 Ų | 63 | 51.2 Ų | 51.2 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3.8 | -178.8 | -68.1 | 174 | -174.5 | -175.6 | 3.5 | 114.7 | E194 S197 C254 L256 | E194-R258 VanDerWaalsContact CA-NH2 3.35Å; E194-R258 VanDerWaalsContact O-CZ 3.26Å; E194-R258 PolarHBondContact O-NH1 3.01Å; E194-R258 PolarHBondContact O-NH2 3.01Å; S197-R258 PolarHBondContact OG-NH2 3.43Å; C254-R258 VanDerWaalsContact O-CG 3.26Å; C254-R258 WeakPolarHBondContact O-CG 3.47Å; C254-R258 PolarHBondContact O-N 3.38Å; C254-R258 PolarHBondContact SG-NE 3.46Å; C254-R258 PolarHBondContact SG-NH2 2.91Å; L256-R258 PolarHBondContact O-N 3.11Å |
| 259 | G | 59.3 | Low | 77.6 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | trans | 84.1 | -176.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | L256 Q257 G261 N262 | L256-G259 PolarHBondContact O-N 3.15Å; Q257-G259 VanDerWaalsContact C-N 3.3Å; Q257-G259 PolarHBondContact O-N 3.24Å; G259-G261 VanDerWaalsContact C-N 3.27Å; G259-G261 PolarHBondContact O-N 3.22Å; G259-G261 VanDerWaalsContact O-N 3.11Å; G259-N262 PolarHBondContact O-N 3.39Å; G259-N262 VanDerWaalsContact O-N 3.11Å | ||
| 260 | I | 53.5 | Low | 77.6 | Confident | 150 Ų | 150 | 49.2 Ų | 49.2 | 77% | 0.769 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -57.1 | -29.2 | -165.1 | -63.9 | 162.2 | 0 | 0 | 0 | 114.2 | N262 I263 | I260-N262 PolarHBondContact O-N 3.33Å; I260-I263 HydrophobicContact CB-CD1 4.41Å; I260-I263 HydrophobicContact CG2-CD1 4.07Å; I260-I263 WeakPolarHBondContact O-CG1 3.21Å |
| 261 | G | 61 | Low | 77.7 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 77% | 0.773 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -65.5 | -18.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | G259 | G259-G261 VanDerWaalsContact C-N 3.27Å; G259-G261 PolarHBondContact O-N 3.22Å; G259-G261 VanDerWaalsContact O-N 3.11Å |
| 262 | N | 70.9 | Confident | 77.9 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 22% | 0.219 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -111.3 | 8.4 | -173.3 | -72.6 | -42.3 | 0 | 0 | 0 | 114.7 | L255 G259 I260 L264 K265 Y266 | L255-N262 HydrophobicContact CD2-CB 4.46Å; G259-N262 PolarHBondContact O-N 3.39Å; G259-N262 VanDerWaalsContact O-N 3.11Å; I260-N262 PolarHBondContact O-N 3.33Å; N262-L264 PolarHBondContact O-N 3.01Å; N262-L264 VanDerWaalsContact O-N 3.15Å; N262-K265 PolarHBondContact O-N 3.5Å; N262-K265 VanDerWaalsContact O-N 3.11Å; N262-Y266 PolarHBondContact O-N 2.95Å |
| 263 | I | 76.4 | Confident | 78.2 | Confident | 47 Ų | 47 | 51.5 Ų | 51.5 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.1 | -35.4 | 179 | -64.5 | 168.9 | 0 | 0 | 0 | 111.4 | I260 Y266 V267 V296 | I260-I263 HydrophobicContact CB-CD1 4.41Å; I260-I263 HydrophobicContact CG2-CD1 4.07Å; I260-I263 WeakPolarHBondContact O-CG1 3.21Å; I263-Y266 VanDerWaalsContact O-CB 3.3Å; I263-Y266 WeakPolarHBondContact O-CB 3.33Å; I263-Y266 PolarHBondContact O-N 3.38Å; I263-V267 HydrophobicContact CG2-CG2 4.41Å; I263-V267 WeakPolarHBondContact O-CG2 3.4Å; I263-V267 PolarHBondContact O-N 3.26Å; I263-V296 HydrophobicContact CG2-CG1 3.71Å |
| 264 | L | 76.3 | Confident | 78.5 | Confident | 58 Ų | 58 | 49.4 Ų | 49.4 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.7 | -41.4 | -179.7 | -58.5 | 172.5 | 0 | 0 | 0 | 112.4 | N262 Y266 V267 K268 W307 W317 | N262-L264 PolarHBondContact O-N 3.01Å; N262-L264 VanDerWaalsContact O-N 3.15Å; L264-Y266 VanDerWaalsContact C-N 3.27Å; L264-Y266 PolarHBondContact O-N 3.39Å; L264-V267 PolarHBondContact O-N 3.26Å; L264-K268 WeakPolarHBondContact O-CB 3.41Å; L264-K268 PolarHBondContact O-N 3.24Å; L264-W307 HydrophobicContact CB-CH2 4.17Å; L264-W307 HydrophobicContact CD2-CH2 3.63Å; L264-W307 HydrophobicContact CD2-CZ3 3.4Å; L264-W307 VanDerWaalsContact CD2-CZ3 3.4Å; L264-W317 HydrophobicContact CD1-CG 4.4Å |
| 265 | K | 79.3 | Confident | 78.8 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 30% | 0.3 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 172.3 | -69.9 | -178.4 | -177.6 | 171.5 | 0 | 110 | L255 N262 K268 Q269 E321 | L255-K265 HydrophobicContact CD1-CB 4.46Å; L255-K265 HydrophobicContact CD2-CB 4.05Å; N262-K265 PolarHBondContact O-N 3.5Å; N262-K265 VanDerWaalsContact O-N 3.11Å; K265-K268 PolarHBondContact O-N 2.87Å; K265-Q269 WeakPolarHBondContact O-CG 3.22Å; K265-Q269 PolarHBondContact O-N 3.19Å; K265-E321 WeakPolarHBondContact CE-OE1 3.45Å; K265-E321 IonicContact NZ-OE1 3.81Å; K265-E321 PolarHBondContact NZ-OE1 3.24Å; K265-E321 VanDerWaalsContact NZ-OE1 3.13Å |
| 266 | Y | 83.8 | Confident | 79.3 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.6 | -52.1 | 175.2 | 177.3 | -100.8 | 0 | 0 | 0 | 112.5 | Y252 L255 L256 N262 I263 L264 K268 Q269 L270 K292 V296 | Y252-Y266 AromaticContact CD2-CE2 3.87Å; Y252-Y266 HydrophobicContact CD2-CE2 3.87Å; Y252-Y266 HydrophobicContact CG-CE2 4.21Å; Y252-Y266 WeakPolarHBondContact O-CD2 3.38Å; Y252-Y266 VanDerWaalsContact O-CE2 3.32Å; Y252-Y266 WeakPolarHBondContact O-CE2 3.36Å; L255-Y266 HydrophobicContact CB-CD2 4Å; L256-Y266 HydrophobicContact CD1-CD2 4.46Å; L256-Y266 HydrophobicContact CD1-CE2 3.52Å; L256-Y266 WeakPolarHBondContact CD1-OH 3.2Å; L256-Y266 HydrophobicContact CD2-CE1 4.45Å; L256-Y266 HydrophobicContact CD2-CE2 4.14Å; L256-Y266 HydrophobicContact CG-CD2 3.94Å; L256-Y266 HydrophobicContact CG-CE2 3.43Å; L256-Y266 VanDerWaalsContact CG-CE2 3.43Å; N262-Y266 PolarHBondContact O-N 2.95Å; I263-Y266 VanDerWaalsContact O-CB 3.3Å; I263-Y266 WeakPolarHBondContact O-CB 3.33Å; I263-Y266 PolarHBondContact O-N 3.38Å; L264-Y266 VanDerWaalsContact C-N 3.27Å; L264-Y266 PolarHBondContact O-N 3.39Å; Y266-K268 VanDerWaalsContact C-N 3.34Å; Y266-K268 PolarHBondContact O-N 2.99Å; Y266-Q269 PolarHBondContact O-N 3.2Å; Y266-Q269 VanDerWaalsContact O-N 3.17Å; Y266-L270 HydrophobicContact CD1-CD1 3.99Å; Y266-L270 HydrophobicContact CE1-CD1 3.3Å; Y266-L270 HydrophobicContact CE1-CG 4.24Å; Y266-L270 HydrophobicContact CE2-CD1 4.12Å; Y266-L270 HydrophobicContact CE2-CG 4.37Å; Y266-L270 VanDerWaalsContact CZ-CD1 3.41Å; Y266-L270 PolarHBondContact O-N 3.05Å; Y266-K292 WeakPolarHBondContact OH-CB 3.42Å; Y266-V296 HydrophobicContact CD1-CG1 4.37Å; Y266-V296 HydrophobicContact CD1-CG2 4.2Å; Y266-V296 HydrophobicContact CE1-CB 4.35Å; Y266-V296 HydrophobicContact CE1-CG2 3.65Å |
| 267 | V | 86.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 175.7 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | I263 L264 Q269 L270 R271 L293 V296 W307 | I263-V267 HydrophobicContact CG2-CG2 4.41Å; I263-V267 WeakPolarHBondContact O-CG2 3.4Å; I263-V267 PolarHBondContact O-N 3.26Å; L264-V267 PolarHBondContact O-N 3.26Å; V267-Q269 VanDerWaalsContact C-N 3.32Å; V267-Q269 PolarHBondContact O-N 3.05Å; V267-L270 PolarHBondContact O-N 3.36Å; V267-R271 HydrophobicContact CG1-CG 4.43Å; V267-R271 WeakPolarHBondContact O-CB 3.38Å; V267-R271 WeakPolarHBondContact O-CG 3.47Å; V267-R271 PolarHBondContact O-N 3.03Å; V267-L293 HydrophobicContact CB-CD1 4.28Å; V267-L293 HydrophobicContact CG1-CD1 3.98Å; V267-L293 HydrophobicContact CG2-CD1 4.06Å; V267-V296 HydrophobicContact CG2-CG1 3.78Å; V267-W307 HydrophobicContact CB-CH2 4.09Å; V267-W307 HydrophobicContact CG1-CH2 3.76Å; V267-W307 HydrophobicContact CG1-CZ2 4Å |
| 268 | K | 84.3 | Confident | 80.4 | Confident | 107 Ų | 107 | 46.1 Ų | 46.1 | 47% | 0.465 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.1 | -42 | 177.1 | -174.2 | 176.8 | -179.7 | 177.1 | 0 | 112 | L264 K265 Y266 R272 | L264-K268 WeakPolarHBondContact O-CB 3.41Å; L264-K268 PolarHBondContact O-N 3.24Å; K265-K268 PolarHBondContact O-N 2.87Å; Y266-K268 VanDerWaalsContact C-N 3.34Å; Y266-K268 PolarHBondContact O-N 2.99Å; K268-R272 WeakPolarHBondContact O-CB 3.34Å; K268-R272 PolarHBondContact O-N 3.18Å |
| 269 | Q | 84.7 | Confident | 81.1 | Confident | 31 Ų | 31 | 43.3 Ų | 43.3 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.3 | -43 | 177.5 | -66.5 | -45.2 | -30.3 | 0 | 0 | 112.6 | L202 L255 K265 Y266 V267 R272 V273 | L202-Q269 HydrophobicContact CD2-CG 3.9Å; L255-Q269 HydrophobicContact CD1-CB 4.18Å; L255-Q269 HydrophobicContact CD1-CG 3.53Å; K265-Q269 WeakPolarHBondContact O-CG 3.22Å; K265-Q269 PolarHBondContact O-N 3.19Å; Y266-Q269 PolarHBondContact O-N 3.2Å; Y266-Q269 VanDerWaalsContact O-N 3.17Å; V267-Q269 VanDerWaalsContact C-N 3.32Å; V267-Q269 PolarHBondContact O-N 3.05Å; Q269-R272 WeakPolarHBondContact O-CB 3.37Å; Q269-R272 PolarHBondContact O-N 3.44Å; Q269-V273 WeakPolarHBondContact O-CG2 3.4Å; Q269-V273 PolarHBondContact O-N 3.07Å |
| 270 | L | 88.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.8 | -71 | -179.4 | 0 | 0 | 0 | 111.9 | Y252 Y266 V267 R272 V273 L274 A289 K292 L293 | Y252-L270 HydrophobicContact CD1-CD2 4.35Å; Y252-L270 HydrophobicContact CG-CD2 4.14Å; Y266-L270 HydrophobicContact CD1-CD1 3.99Å; Y266-L270 HydrophobicContact CE1-CD1 3.3Å; Y266-L270 HydrophobicContact CE1-CG 4.24Å; Y266-L270 HydrophobicContact CE2-CD1 4.12Å; Y266-L270 HydrophobicContact CE2-CG 4.37Å; Y266-L270 VanDerWaalsContact CZ-CD1 3.41Å; Y266-L270 PolarHBondContact O-N 3.05Å; V267-L270 PolarHBondContact O-N 3.36Å; L270-R272 VanDerWaalsContact C-N 3.31Å; L270-R272 PolarHBondContact O-N 3.37Å; L270-V273 PolarHBondContact O-N 3.38Å; L270-L274 WeakPolarHBondContact O-CB 3.26Å; L270-L274 VanDerWaalsContact O-CG 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.5Å; L270-L274 PolarHBondContact O-N 3.38Å; L270-A289 HydrophobicContact CD2-CB 3.91Å; L270-K292 HydrophobicContact CD1-CB 4.36Å; L270-L293 HydrophobicContact CB-CB 4.24Å; L270-L293 HydrophobicContact CB-CD1 4.24Å; L270-L293 HydrophobicContact CB-CD2 4.22Å; L270-L293 HydrophobicContact CB-CG 4.48Å; L270-L293 HydrophobicContact CD1-CB 3.79Å; L270-L293 HydrophobicContact CD1-CD1 4.24Å |
| 271 | R | 89.9 | Confident | 83.6 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.5 | -42.7 | 174.1 | -73.9 | 174.9 | 174.6 | 174.3 | 0.2 | 111.9 | V267 V273 L274 R275 L293 Y306 W307 E354 | V267-R271 HydrophobicContact CG1-CG 4.43Å; V267-R271 WeakPolarHBondContact O-CB 3.38Å; V267-R271 WeakPolarHBondContact O-CG 3.47Å; V267-R271 PolarHBondContact O-N 3.03Å; R271-V273 VanDerWaalsContact C-N 3.35Å; R271-V273 PolarHBondContact O-N 3.48Å; R271-L274 PolarHBondContact O-N 2.57Å; R271-R275 WeakPolarHBondContact O-CB 3.39Å; R271-R275 WeakPolarHBondContact O-CD 3.49Å; R271-R275 WeakPolarHBondContact O-CG 3.4Å; R271-R275 PolarHBondContact O-N 3.37Å; R271-R275 VanDerWaalsContact O-N 3.1Å; R271-L293 HydrophobicContact CG-CD2 3.9Å; R271-Y306 VanDerWaalsContact NH2-CE2 3.31Å; R271-W307 PolarHBondContact NH1-O 2.85Å; R271-W307 PolarHBondContact NH2-O 3.19Å; R271-E354 WeakPolarHBondContact CG-OE1 3.42Å; R271-E354 IonicContact CZ-OE1 3.53Å; R271-E354 IonicContact CZ-OE2 3.22Å; R271-E354 IonicContact NE-OE1 3.22Å; R271-E354 PolarHBondContact NE-OE1 3.44Å; R271-E354 IonicContact NE-OE2 3.17Å; R271-E354 PolarHBondContact NE-OE2 2.84Å; R271-E354 IonicContact NH2-OE1 3.28Å; R271-E354 IonicContact NH2-OE2 3.54Å; R271-E354 PolarHBondContact NH2-OE2 3.05Å |
| 272 | R | 86.5 | Confident | 84.8 | Confident | 46 Ų | 46 | 37.1 Ų | 37.1 | 17% | 0.174 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58 | -47.9 | 177.2 | 177.2 | -165.7 | 174.2 | 164.5 | 13.9 | 111.4 | D206 K268 Q269 L270 | D206-R272 IonicContact OD1-CZ 2.83Å; D206-R272 VanDerWaalsContact OD1-CZ 3.22Å; D206-R272 IonicContact OD1-NE 3.97Å; D206-R272 PolarHBondContact OD1-NE 2.88Å; D206-R272 IonicContact OD1-NH2 3.69Å; D206-R272 PolarHBondContact OD1-NH2 3.34Å; D206-R272 IonicContact OD2-CZ 3.8Å; D206-R272 IonicContact OD2-NH1 3.33Å; D206-R272 IonicContact OD2-NH2 3.88Å; D206-R272 PolarHBondContact OD2-NH2 2.92Å; K268-R272 WeakPolarHBondContact O-CB 3.34Å; K268-R272 PolarHBondContact O-N 3.18Å; Q269-R272 WeakPolarHBondContact O-CB 3.37Å; Q269-R272 PolarHBondContact O-N 3.44Å; L270-R272 VanDerWaalsContact C-N 3.31Å; L270-R272 PolarHBondContact O-N 3.37Å |
| 273 | V | 87.9 | Confident | 85.6 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 179.3 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | L209 Q269 L270 R271 R275 V276 F285 | L209-V273 HydrophobicContact CD1-CG1 4.48Å; L209-V273 HydrophobicContact CD1-CG2 4.47Å; Q269-V273 WeakPolarHBondContact O-CG2 3.4Å; Q269-V273 PolarHBondContact O-N 3.07Å; L270-V273 PolarHBondContact O-N 3.38Å; R271-V273 VanDerWaalsContact C-N 3.35Å; R271-V273 PolarHBondContact O-N 3.48Å; V273-R275 PolarHBondContact O-N 3.1Å; V273-V276 VanDerWaalsContact O-CB 3.31Å; V273-V276 WeakPolarHBondContact O-CB 3.5Å; V273-V276 PolarHBondContact O-N 2.9Å; V273-V276 VanDerWaalsContact O-N 3.08Å; V273-F285 HydrophobicContact CB-CE1 4.48Å; V273-F285 HydrophobicContact CB-CZ 4.41Å; V273-F285 HydrophobicContact CG1-CD1 4.2Å; V273-F285 HydrophobicContact CG1-CE1 3.22Å; V273-F285 HydrophobicContact CG1-CE2 4.5Å; V273-F285 HydrophobicContact CG1-CZ 3.44Å; V273-F285 VanDerWaalsContact CG1-CZ 3.44Å; V273-F285 HydrophobicContact CG2-CE1 4.49Å; V273-F285 HydrophobicContact CG2-CZ 4.25Å |
| 274 | L | 90.5 | Very high | 86 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -25.6 | -175 | -71.1 | 167.3 | 0 | 0 | 0 | 113.3 | L270 R271 V276 R286 A289 A290 L293 L358 | L270-L274 WeakPolarHBondContact O-CB 3.26Å; L270-L274 VanDerWaalsContact O-CG 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.5Å; L270-L274 PolarHBondContact O-N 3.38Å; R271-L274 PolarHBondContact O-N 2.57Å; L274-V276 VanDerWaalsContact C-N 3.27Å; L274-V276 PolarHBondContact O-N 3.03Å; L274-R286 HydrophobicContact CD2-CB 4.2Å; L274-R286 HydrophobicContact CD2-CG 4.44Å; L274-R286 WeakPolarHBondContact CD2-O 3.28Å; L274-R286 PolarHBondContact O-NH2 2.9Å; L274-R286 VanDerWaalsContact O-NH2 3.16Å; L274-A289 HydrophobicContact CD2-CB 4.07Å; L274-A289 HydrophobicContact CG-CB 4.36Å; L274-A290 HydrophobicContact CD1-CB 4.28Å; L274-A290 HydrophobicContact CD2-CB 3.93Å; L274-L293 HydrophobicContact CD1-CB 4.37Å; L274-L293 HydrophobicContact CD1-CD2 3.65Å; L274-L358 HydrophobicContact CD1-CD2 3.77Å |
| 275 | R | 89.2 | Confident | 86.5 | Confident | 78 Ų | 78 | 37.6 Ų | 37.6 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12 | 174 | -74.7 | 175.4 | 64.4 | -170.6 | -2.5 | 114.2 | R271 V273 P309 R339 Y340 | R271-R275 WeakPolarHBondContact O-CB 3.39Å; R271-R275 WeakPolarHBondContact O-CD 3.49Å; R271-R275 WeakPolarHBondContact O-CG 3.4Å; R271-R275 PolarHBondContact O-N 3.37Å; R271-R275 VanDerWaalsContact O-N 3.1Å; V273-R275 PolarHBondContact O-N 3.1Å; R275-P309 PolarHBondContact NH1-O 2.71Å; R275-R339 CarbonylContact O-C 3.56Å; R275-R339 VanDerWaalsContact O-CA 3.24Å; R275-R339 WeakPolarHBondContact O-CA 3.45Å; R275-R339 WeakPolarHBondContact O-CB 3.44Å; R275-Y340 WeakPolarHBondContact O-CD2 3.35Å; R275-Y340 PolarHBondContact O-N 3.49Å |
| 276 | V | 89.6 | Confident | 87 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -72.4 | 137.6 | 174.5 | 174 | 0 | 0 | 0 | 0 | 109.5 | L209 V273 L274 E278 P337 R339 Y340 | L209-V276 HydrophobicContact CB-CG1 4.33Å; L209-V276 HydrophobicContact CD1-CB 4.35Å; L209-V276 HydrophobicContact CD1-CG1 4.37Å; L209-V276 HydrophobicContact CD1-CG2 4.02Å; V273-V276 VanDerWaalsContact O-CB 3.31Å; V273-V276 WeakPolarHBondContact O-CB 3.5Å; V273-V276 PolarHBondContact O-N 2.9Å; V273-V276 VanDerWaalsContact O-N 3.08Å; L274-V276 VanDerWaalsContact C-N 3.27Å; L274-V276 PolarHBondContact O-N 3.03Å; V276-E278 PolarHBondContact O-N 3.14Å; V276-P337 HydrophobicContact CG1-CB 3.73Å; V276-P337 HydrophobicContact CG1-CG 4.3Å; V276-P337 HydrophobicContact CG2-CB 4.09Å; V276-P337 HydrophobicContact CG2-CG 3.74Å; V276-R339 HydrophobicContact CG2-CG 4.39Å; V276-Y340 WeakPolarHBondContact O-CE2 3.48Å |
| 277 | V | 89.1 | Confident | 87.2 | Confident | 39 Ų | 39 | 36.3 Ų | 36.3 | 24% | 0.236 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 130.1 | 178.7 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | Q213 Q338 Y340 | Q213-V277 PolarHBondContact NE2-O 3.17Å; V277-Q338 HydrophobicContact CG2-CB 4.35Å; V277-Q338 HydrophobicContact CG2-CG 4Å; V277-Q338 PolarHBondContact N-O 2.77Å; V277-Y340 HydrophobicContact CG1-CE1 4.45Å; V277-Y340 HydrophobicContact CG2-CD1 4.21Å; V277-Y340 HydrophobicContact CG2-CE1 4.28Å; V277-Y340 HydrophobicContact CG2-CG 4.38Å |
| 278 | E | 88.9 | Confident | 87.3 | Confident | 69 Ų | 69 | 38.1 Ų | 38.1 | 32% | 0.322 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -58 | 135.9 | -179.1 | -167.2 | 171.7 | 151.9 | 0 | 0 | 112.7 | V276 Q283 R286 Y340 | V276-E278 PolarHBondContact O-N 3.14Å; E278-Q283 HydrophobicContact CG-CG 4.15Å; E278-Q283 VanDerWaalsContact OE1-CG 3.32Å; E278-Q283 WeakPolarHBondContact OE1-CG 3.43Å; E278-Q283 PolarHBondContact OE1-NE2 3.13Å; E278-R286 VanDerWaalsContact CB-NH1 3.28Å; E278-R286 IonicContact OE2-CZ 2.8Å; E278-R286 IonicContact OE2-NH1 2.66Å; E278-R286 PolarHBondContact OE2-NH1 3.16Å; E278-Y340 WeakPolarHBondContact CB-OH 3.21Å; E278-Y340 PolarHBondContact N-OH 2.85Å; E278-Y340 VanDerWaalsContact N-OH 3.1Å |
| 279 | S | 87.4 | Confident | 87.6 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | trans | -124.8 | 157 | 167.9 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | L212 D216 G281 S282 | L212-S279 WeakPolarHBondContact CB-OG 3.39Å; D216-S279 WeakPolarHBondContact OD2-CA 3.34Å; D216-S279 WeakPolarHBondContact OD2-CB 3.49Å; S279-G281 VanDerWaalsContact C-N 3.32Å; S279-G281 PolarHBondContact O-N 2.68Å; S279-S282 PolarHBondContact N-OG 3.04Å; S279-S282 PolarHBondContact O-N 3.3Å; S279-S282 PolarHBondContact O-OG 3.36Å; S279-S282 VanDerWaalsContact OG-CB 3.27Å; S279-S282 WeakPolarHBondContact OG-CB 3.4Å; S279-S282 PolarHBondContact OG-OG 2.69Å; S279-S282 VanDerWaalsContact OG-OG 3.05Å | ||
| 280 | R | 83.6 | Confident | 88 | Confident | 118 Ų | 118 | 31.6 Ų | 31.6 | 45% | 0.445 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -54.4 | -47 | -177.3 | -61.5 | -179.6 | -167.2 | 176.5 | 7.4 | 111.8 | D216 S282 | D216-R280 PolarHBondContact OD2-N 3.13Å; R280-S282 PolarHBondContact O-N 3.17Å |
| 281 | G | 81.6 | Confident | 88.1 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 10% | 0.103 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -70.3 | -11.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | L240 S279 | L240-G281 WeakPolarHBondContact CD1-O 3.27Å; S279-G281 VanDerWaalsContact C-N 3.32Å; S279-G281 PolarHBondContact O-N 2.68Å |
| 282 | S | 86.2 | Confident | 88.1 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -95.9 | -8.6 | -178.4 | 71.7 | 0 | 0 | 0 | 0 | 114.6 | S279 R280 F285 R286 | S279-S282 PolarHBondContact N-OG 3.04Å; S279-S282 PolarHBondContact O-N 3.3Å; S279-S282 PolarHBondContact O-OG 3.36Å; S279-S282 VanDerWaalsContact OG-CB 3.27Å; S279-S282 WeakPolarHBondContact OG-CB 3.4Å; S279-S282 PolarHBondContact OG-OG 2.69Å; S279-S282 VanDerWaalsContact OG-OG 3.05Å; R280-S282 PolarHBondContact O-N 3.17Å; S282-F285 PolarHBondContact O-N 3.12Å; S282-R286 WeakPolarHBondContact O-CB 3.26Å; S282-R286 VanDerWaalsContact O-CG 3.29Å; S282-R286 WeakPolarHBondContact O-CG 3.48Å; S282-R286 PolarHBondContact O-N 3.08Å |
| 283 | Q | 86.6 | Confident | 88.3 | Confident | 79 Ų | 79 | 33.1 Ų | 33.1 | 37% | 0.369 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.5 | -52.8 | -170.3 | -67.9 | -175 | -32.8 | 0 | 0 | 113 | E278 F285 R286 K287 | E278-Q283 HydrophobicContact CG-CG 4.15Å; E278-Q283 VanDerWaalsContact OE1-CG 3.32Å; E278-Q283 WeakPolarHBondContact OE1-CG 3.43Å; E278-Q283 PolarHBondContact OE1-NE2 3.13Å; Q283-F285 VanDerWaalsContact C-N 3.29Å; Q283-F285 PolarHBondContact O-N 3.45Å; Q283-R286 PolarHBondContact O-N 3.42Å; Q283-R286 VanDerWaalsContact O-N 3.16Å; Q283-K287 WeakPolarHBondContact O-CB 3.46Å; Q283-K287 PolarHBondContact O-N 3.28Å |
| 284 | S | 84.8 | Confident | 88.6 | Confident | 72 Ų | 72 | 32.5 Ų | 32.5 | 50% | 0.503 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.3 | -40.4 | 179.8 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | C288 | S284-C288 PolarHBondContact O-N 3.3Å; S284-C288 VanDerWaalsContact O-N 3.16Å |
| 285 | F | 87.5 | Confident | 88.7 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.2 | -46.4 | 175.4 | 167.8 | -128.2 | 0 | 0 | 0 | 112.1 | L209 L248 Q249 Y252 V273 S282 Q283 K287 C288 A289 | L209-F285 HydrophobicContact CD2-CE1 4.43Å; L248-F285 HydrophobicContact CB-CD1 3.87Å; L248-F285 HydrophobicContact CB-CD2 4.12Å; L248-F285 HydrophobicContact CB-CE1 3.82Å; L248-F285 HydrophobicContact CB-CE2 4.17Å; L248-F285 HydrophobicContact CB-CG 3.98Å; L248-F285 HydrophobicContact CB-CZ 3.96Å; L248-F285 HydrophobicContact CD1-CB 4.24Å; L248-F285 HydrophobicContact CD1-CD1 3.96Å; L248-F285 HydrophobicContact CD1-CG 4.17Å; L248-F285 HydrophobicContact CD2-CD1 3.93Å; L248-F285 HydrophobicContact CD2-CE1 3.8Å; L248-F285 HydrophobicContact CG-CD1 4.13Å; L248-F285 HydrophobicContact CG-CE1 4.26Å; L248-F285 WeakPolarHBondContact O-CE2 3.11Å; L248-F285 WeakPolarHBondContact O-CZ 3.35Å; Q249-F285 HydrophobicContact CG-CD2 4.43Å; Y252-F285 HydrophobicContact CD1-CE2 4.11Å; Y252-F285 HydrophobicContact CE1-CD2 4.37Å; Y252-F285 AromaticContact CE1-CE2 3.58Å; Y252-F285 HydrophobicContact CE1-CE2 3.58Å; Y252-F285 HydrophobicContact CE1-CZ 4.46Å; V273-F285 HydrophobicContact CB-CE1 4.48Å; V273-F285 HydrophobicContact CB-CZ 4.41Å; V273-F285 HydrophobicContact CG1-CD1 4.2Å; V273-F285 HydrophobicContact CG1-CE1 3.22Å; V273-F285 HydrophobicContact CG1-CE2 4.5Å; V273-F285 HydrophobicContact CG1-CZ 3.44Å; V273-F285 VanDerWaalsContact CG1-CZ 3.44Å; V273-F285 HydrophobicContact CG2-CE1 4.49Å; V273-F285 HydrophobicContact CG2-CZ 4.25Å; S282-F285 PolarHBondContact O-N 3.12Å; Q283-F285 VanDerWaalsContact C-N 3.29Å; Q283-F285 PolarHBondContact O-N 3.45Å; F285-K287 PolarHBondContact O-N 3.42Å; F285-C288 PolarHBondContact O-N 3.19Å; F285-A289 HydrophobicContact CE2-CB 4.23Å; F285-A289 WeakPolarHBondContact O-CB 3.42Å; F285-A289 PolarHBondContact O-N 2.9Å |
| 286 | R | 89.3 | Confident | 88.8 | Confident | 21 Ų | 21 | 33.8 Ų | 33.8 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 178.6 | -72.9 | 179 | 76.7 | -127.1 | 6.6 | 111.7 | L274 E278 S282 Q283 C288 A289 A290 | L274-R286 HydrophobicContact CD2-CB 4.2Å; L274-R286 HydrophobicContact CD2-CG 4.44Å; L274-R286 WeakPolarHBondContact CD2-O 3.28Å; L274-R286 PolarHBondContact O-NH2 2.9Å; L274-R286 VanDerWaalsContact O-NH2 3.16Å; E278-R286 VanDerWaalsContact CB-NH1 3.28Å; E278-R286 IonicContact OE2-CZ 2.8Å; E278-R286 IonicContact OE2-NH1 2.66Å; E278-R286 PolarHBondContact OE2-NH1 3.16Å; S282-R286 WeakPolarHBondContact O-CB 3.26Å; S282-R286 VanDerWaalsContact O-CG 3.29Å; S282-R286 WeakPolarHBondContact O-CG 3.48Å; S282-R286 PolarHBondContact O-N 3.08Å; Q283-R286 PolarHBondContact O-N 3.42Å; Q283-R286 VanDerWaalsContact O-N 3.16Å; R286-C288 PolarHBondContact O-N 2.88Å; R286-A289 PolarHBondContact O-N 3.03Å; R286-A290 VanDerWaalsContact O-CB 3.27Å; R286-A290 WeakPolarHBondContact O-CB 3.5Å; R286-A290 PolarHBondContact O-N 2.98Å |
| 287 | K | 88.3 | Confident | 88.8 | Confident | 28 Ų | 28 | 33.5 Ų | 33.5 | 12% | 0.122 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.3 | -51.4 | 171.8 | 174.9 | -178.8 | 156.8 | -173.6 | 0 | 110.9 | Q283 F285 A289 A290 M291 T362 M365 T366 E369 D388 | Q283-K287 WeakPolarHBondContact O-CB 3.46Å; Q283-K287 PolarHBondContact O-N 3.28Å; F285-K287 PolarHBondContact O-N 3.42Å; K287-A289 PolarHBondContact O-N 3.46Å; K287-A290 PolarHBondContact O-N 3.27Å; K287-M291 WeakPolarHBondContact O-CB 3.4Å; K287-M291 PolarHBondContact O-N 3.1Å; K287-M291 VanDerWaalsContact O-N 3.09Å; K287-T362 HydrophobicContact CG-CG2 4.47Å; K287-T362 WeakPolarHBondContact O-CG2 3.03Å; K287-M365 HydrophobicContact CB-SD 4Å; K287-M365 HydrophobicContact CD-CB 4.44Å; K287-T366 HydrophobicContact CD-CG2 4.07Å; K287-E369 IonicContact NZ-OE2 3.83Å; K287-D388 IonicContact NZ-OD2 3.41Å; K287-D388 PolarHBondContact NZ-OD2 3.43Å |
| 288 | C | 88 | Confident | 88.9 | Confident | 37 Ų | 37 | 32 Ų | 32 | 25% | 0.25 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 178.5 | -172.1 | 0 | 0 | 0 | 0 | 112.8 | S284 F285 R286 K292 | S284-C288 PolarHBondContact O-N 3.3Å; S284-C288 VanDerWaalsContact O-N 3.16Å; F285-C288 PolarHBondContact O-N 3.19Å; R286-C288 PolarHBondContact O-N 2.88Å; C288-K292 WeakPolarHBondContact O-CB 3.26Å; C288-K292 WeakPolarHBondContact O-CG 3.22Å; C288-K292 PolarHBondContact O-N 2.71Å; C288-K292 WeakPolarHBondContact SG-CE 3.37Å; C288-K292 PolarHBondContact SG-NZ 3.12Å; C288-K292 VanDerWaalsContact SG-NZ 3.42Å |
| 289 | A | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L270 L274 F285 R286 K287 K292 L293 | L270-A289 HydrophobicContact CD2-CB 3.91Å; L274-A289 HydrophobicContact CD2-CB 4.07Å; L274-A289 HydrophobicContact CG-CB 4.36Å; F285-A289 HydrophobicContact CE2-CB 4.23Å; F285-A289 WeakPolarHBondContact O-CB 3.42Å; F285-A289 PolarHBondContact O-N 2.9Å; R286-A289 PolarHBondContact O-N 3.03Å; K287-A289 PolarHBondContact O-N 3.46Å; A289-K292 PolarHBondContact O-N 3.48Å; A289-L293 WeakPolarHBondContact O-CB 3.42Å; A289-L293 PolarHBondContact O-N 2.86Å |
| 290 | A | 93.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L274 R286 K287 L293 A294 L358 T362 | L274-A290 HydrophobicContact CD1-CB 4.28Å; L274-A290 HydrophobicContact CD2-CB 3.93Å; R286-A290 VanDerWaalsContact O-CB 3.27Å; R286-A290 WeakPolarHBondContact O-CB 3.5Å; R286-A290 PolarHBondContact O-N 2.98Å; K287-A290 PolarHBondContact O-N 3.27Å; A290-L293 PolarHBondContact O-N 3.44Å; A290-A294 WeakPolarHBondContact O-CB 3.31Å; A290-A294 PolarHBondContact O-N 2.59Å; A290-L358 HydrophobicContact CB-CB 4.37Å; A290-L358 HydrophobicContact CB-CD2 3.97Å; A290-T362 HydrophobicContact CB-CG2 3.57Å |
| 291 | M | 90.9 | Very high | 88.8 | Confident | 46 Ų | 46 | 30.8 Ų | 30.8 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 177.1 | -171.6 | 175.2 | 69.8 | 0 | 0 | 112 | K287 L293 A294 Q295 T362 S391 V392 L395 | K287-M291 WeakPolarHBondContact O-CB 3.4Å; K287-M291 PolarHBondContact O-N 3.1Å; K287-M291 VanDerWaalsContact O-N 3.09Å; M291-L293 VanDerWaalsContact C-N 3.34Å; M291-L293 PolarHBondContact O-N 3.21Å; M291-A294 PolarHBondContact O-N 2.62Å; M291-Q295 WeakPolarHBondContact O-CB 3.23Å; M291-Q295 PolarHBondContact O-N 3.44Å; M291-T362 HydrophobicContact CB-CG2 4.34Å; M291-S391 PolarHBondContact SD-OG 3.48Å; M291-V392 HydrophobicContact SD-CG2 4.44Å; M291-L395 HydrophobicContact CG-CD1 4.37Å |
| 292 | K | 90.1 | Very high | 88.9 | Confident | 45 Ų | 45 | 32.9 Ų | 32.9 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 176.1 | -74 | 173.9 | -177.5 | 173.3 | 0 | 112.3 | Y252 Y266 L270 C288 A289 Q295 V296 | Y252-K292 HydrophobicContact CD2-CD 4.45Å; Y252-K292 HydrophobicContact CE2-CD 3.81Å; Y252-K292 VanDerWaalsContact CE2-NZ 3.29Å; Y252-K292 PolarHBondContact OH-NZ 3.49Å; Y266-K292 WeakPolarHBondContact OH-CB 3.42Å; L270-K292 HydrophobicContact CD1-CB 4.36Å; C288-K292 WeakPolarHBondContact O-CB 3.26Å; C288-K292 WeakPolarHBondContact O-CG 3.22Å; C288-K292 PolarHBondContact O-N 2.71Å; C288-K292 WeakPolarHBondContact SG-CE 3.37Å; C288-K292 PolarHBondContact SG-NZ 3.12Å; C288-K292 VanDerWaalsContact SG-NZ 3.42Å; A289-K292 PolarHBondContact O-N 3.48Å; K292-Q295 PolarHBondContact O-N 3.13Å; K292-V296 WeakPolarHBondContact O-CG2 3.22Å; K292-V296 PolarHBondContact O-N 3.41Å |
| 293 | L | 92.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 175.9 | -177.5 | 55.2 | 0 | 0 | 0 | 110.8 | V267 L270 R271 L274 A289 A290 M291 Q295 V296 L297 L358 | V267-L293 HydrophobicContact CB-CD1 4.28Å; V267-L293 HydrophobicContact CG1-CD1 3.98Å; V267-L293 HydrophobicContact CG2-CD1 4.06Å; L270-L293 HydrophobicContact CB-CB 4.24Å; L270-L293 HydrophobicContact CB-CD1 4.24Å; L270-L293 HydrophobicContact CB-CD2 4.22Å; L270-L293 HydrophobicContact CB-CG 4.48Å; L270-L293 HydrophobicContact CD1-CB 3.79Å; L270-L293 HydrophobicContact CD1-CD1 4.24Å; R271-L293 HydrophobicContact CG-CD2 3.9Å; L274-L293 HydrophobicContact CD1-CB 4.37Å; L274-L293 HydrophobicContact CD1-CD2 3.65Å; A289-L293 WeakPolarHBondContact O-CB 3.42Å; A289-L293 PolarHBondContact O-N 2.86Å; A290-L293 PolarHBondContact O-N 3.44Å; M291-L293 VanDerWaalsContact C-N 3.34Å; M291-L293 PolarHBondContact O-N 3.21Å; L293-Q295 VanDerWaalsContact C-N 3.32Å; L293-Q295 PolarHBondContact O-N 2.9Å; L293-V296 PolarHBondContact O-N 3.49Å; L293-L297 HydrophobicContact CD1-CD1 4.14Å; L293-L297 HydrophobicContact CD1-CG 4.09Å; L293-L297 HydrophobicContact CG-CD1 3.9Å; L293-L297 HydrophobicContact CG-CG 4.33Å; L293-L297 WeakPolarHBondContact O-CB 3.31Å; L293-L297 VanDerWaalsContact O-CG 3.25Å; L293-L297 WeakPolarHBondContact O-CG 3.44Å; L293-L297 PolarHBondContact O-N 3Å; L293-L358 HydrophobicContact CB-CD1 3.88Å; L293-L358 HydrophobicContact CD2-CD1 3.54Å; L293-L358 HydrophobicContact CD2-CD2 4.3Å; L293-L358 HydrophobicContact CG-CD1 3.53Å |
| 294 | A | 93.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A290 M291 V296 L297 L298 A355 L358 L359 | A290-A294 WeakPolarHBondContact O-CB 3.31Å; A290-A294 PolarHBondContact O-N 2.59Å; M291-A294 PolarHBondContact O-N 2.62Å; A294-V296 PolarHBondContact O-N 2.91Å; A294-L297 PolarHBondContact O-N 3.39Å; A294-L298 WeakPolarHBondContact O-CB 3.3Å; A294-L298 WeakPolarHBondContact O-CG 3.46Å; A294-L298 PolarHBondContact O-N 3.3Å; A294-A355 HydrophobicContact CB-CB 4.49Å; A294-L358 HydrophobicContact CB-CB 4.22Å; A294-L358 HydrophobicContact CB-CD1 4.45Å; A294-L359 HydrophobicContact CB-CD1 4.32Å; A294-L359 HydrophobicContact CB-CD2 3.9Å; A294-L359 HydrophobicContact CB-CG 3.81Å |
| 295 | Q | 92.1 | Very high | 88.3 | Confident | 107 Ų | 107 | 42 Ų | 42 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 176 | -174 | -177.6 | 13 | 0 | 0 | 111.9 | M291 K292 L293 L298 S299 L395 | M291-Q295 WeakPolarHBondContact O-CB 3.23Å; M291-Q295 PolarHBondContact O-N 3.44Å; K292-Q295 PolarHBondContact O-N 3.13Å; L293-Q295 VanDerWaalsContact C-N 3.32Å; L293-Q295 PolarHBondContact O-N 2.9Å; Q295-L298 PolarHBondContact O-N 3.43Å; Q295-S299 VanDerWaalsContact O-CB 3.29Å; Q295-S299 WeakPolarHBondContact O-CB 3.3Å; Q295-S299 PolarHBondContact O-N 3.31Å; Q295-S299 PolarHBondContact O-OG 2.95Å; Q295-L395 HydrophobicContact CB-CD1 4.26Å |
| 296 | V | 90.3 | Very high | 88.3 | Confident | 20 Ų | 20 | 43 Ų | 43 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | 179.3 | 167 | 0 | 0 | 0 | 0 | 111.4 | I263 Y266 V267 K292 L293 A294 S300 V301 | I263-V296 HydrophobicContact CG2-CG1 3.71Å; Y266-V296 HydrophobicContact CD1-CG1 4.37Å; Y266-V296 HydrophobicContact CD1-CG2 4.2Å; Y266-V296 HydrophobicContact CE1-CB 4.35Å; Y266-V296 HydrophobicContact CE1-CG2 3.65Å; V267-V296 HydrophobicContact CG2-CG1 3.78Å; K292-V296 WeakPolarHBondContact O-CG2 3.22Å; K292-V296 PolarHBondContact O-N 3.41Å; L293-V296 PolarHBondContact O-N 3.49Å; A294-V296 PolarHBondContact O-N 2.91Å; V296-S300 VanDerWaalsContact CG1-OG 3.31Å; V296-S300 WeakPolarHBondContact CG1-OG 3.48Å; V296-S300 PolarHBondContact O-N 3.45Å; V296-S300 PolarHBondContact O-OG 3.25Å; V296-V301 HydrophobicContact CG1-CG2 4.47Å; V296-V301 PolarHBondContact O-N 3.26Å |
| 297 | L | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 176 | -74.1 | 171.1 | 0 | 0 | 0 | 111.3 | L293 A294 V301 Y306 V351 E354 A355 L358 | L293-L297 HydrophobicContact CD1-CD1 4.14Å; L293-L297 HydrophobicContact CD1-CG 4.09Å; L293-L297 HydrophobicContact CG-CD1 3.9Å; L293-L297 HydrophobicContact CG-CG 4.33Å; L293-L297 WeakPolarHBondContact O-CB 3.31Å; L293-L297 VanDerWaalsContact O-CG 3.25Å; L293-L297 WeakPolarHBondContact O-CG 3.44Å; L293-L297 PolarHBondContact O-N 3Å; A294-L297 PolarHBondContact O-N 3.39Å; L297-V301 HydrophobicContact CD2-CB 4.42Å; L297-V301 HydrophobicContact CD2-CG2 4.26Å; L297-Y306 HydrophobicContact CD2-CD2 4.41Å; L297-Y306 HydrophobicContact CD2-CE2 4.43Å; L297-V351 HydrophobicContact CB-CG1 3.96Å; L297-V351 VanDerWaalsContact O-CG1 3.23Å; L297-V351 WeakPolarHBondContact O-CG1 3.4Å; L297-E354 HydrophobicContact CD1-CB 3.95Å; L297-E354 HydrophobicContact CD1-CG 3.72Å; L297-E354 WeakPolarHBondContact CD1-OE2 3.28Å; L297-A355 HydrophobicContact CB-CB 4.48Å; L297-L358 HydrophobicContact CD1-CD1 3.9Å |
| 298 | L | 90.5 | Very high | 88.1 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.6 | -31.7 | -177.1 | -67.5 | 174.7 | 0 | 0 | 0 | 113.7 | A294 Q295 A355 L359 L395 I398 R402 | A294-L298 WeakPolarHBondContact O-CB 3.3Å; A294-L298 WeakPolarHBondContact O-CG 3.46Å; A294-L298 PolarHBondContact O-N 3.3Å; Q295-L298 PolarHBondContact O-N 3.43Å; L298-A355 HydrophobicContact CD1-CB 4.18Å; L298-A355 HydrophobicContact CD2-CB 3.8Å; L298-A355 HydrophobicContact CG-CB 3.78Å; L298-L359 HydrophobicContact CD1-CD1 4.36Å; L298-L395 HydrophobicContact CD1-CB 4.27Å; L298-L395 HydrophobicContact CD1-CD2 4.26Å; L298-L395 WeakPolarHBondContact CD1-O 3.22Å; L298-I398 HydrophobicContact CD1-CG2 4.47Å; L298-R402 VanDerWaalsContact O-CZ 3.29Å; L298-R402 PolarHBondContact O-NH1 3.43Å; L298-R402 PolarHBondContact O-NH2 2.73Å |
| 299 | S | 89.1 | Confident | 88.1 | Confident | 93 Ų | 93 | 42.9 Ų | 42.9 | 65% | 0.65 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -94.1 | -32.2 | -174.3 | 61.5 | 0 | 0 | 0 | 0 | 114.8 | Q295 | Q295-S299 VanDerWaalsContact O-CB 3.29Å; Q295-S299 WeakPolarHBondContact O-CB 3.3Å; Q295-S299 PolarHBondContact O-N 3.31Å; Q295-S299 PolarHBondContact O-OG 2.95Å |
| 300 | S | 84.1 | Confident | 87.6 | Confident | 57 Ų | 57 | 48.5 Ų | 48.5 | 40% | 0.399 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -128.9 | -12.2 | -164.4 | 71.1 | 0 | 0 | 0 | 0 | 115.6 | V296 | V296-S300 VanDerWaalsContact CG1-OG 3.31Å; V296-S300 WeakPolarHBondContact CG1-OG 3.48Å; V296-S300 PolarHBondContact O-N 3.45Å; V296-S300 PolarHBondContact O-OG 3.25Å |
| 301 | V | 84.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | trans | -104.5 | 122.6 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | V296 L297 V351 | V296-V301 HydrophobicContact CG1-CG2 4.47Å; V296-V301 PolarHBondContact O-N 3.26Å; L297-V301 HydrophobicContact CD2-CB 4.42Å; L297-V301 HydrophobicContact CD2-CG2 4.26Å; V301-V351 HydrophobicContact CG1-CG2 4.2Å | ||
| 302 | S | 84.4 | Confident | 85.8 | Confident | 55 Ų | 55 | 52.8 Ų | 52.8 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | trans | -81.7 | 160.3 | 170.8 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | D304 S305 Y306 | S302-D304 VanDerWaalsContact C-N 3.28Å; S302-D304 PolarHBondContact O-N 2.92Å; S302-S305 PolarHBondContact O-N 3.21Å; S302-S305 VanDerWaalsContact O-N 3.08Å; S302-S305 WeakPolarHBondContact OG-CB 3.43Å; S302-S305 PolarHBondContact OG-N 3.02Å; S302-S305 PolarHBondContact OG-OG 3.43Å; S302-Y306 PolarHBondContact O-N 3.43Å | ||
| 303 | E | 82.6 | Confident | 84.8 | Confident | 129 Ų | 129 | 52.5 Ų | 52.5 | 60% | 0.603 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -58.5 | -39.6 | 176.8 | -64.5 | -171.7 | 156.2 | 0 | 0 | 111.8 | S305 Y306 R403 | E303-S305 VanDerWaalsContact C-N 3.26Å; E303-S305 PolarHBondContact O-N 3.25Å; E303-Y306 WeakPolarHBondContact O-CB 3.5Å; E303-Y306 PolarHBondContact O-N 3.3Å; E303-R403 IonicContact OE1-NH2 3.31Å |
| 304 | D | 80.4 | Confident | 83.6 | Confident | 158 Ų | 158 | 55 Ų | 55 | 85% | 0.845 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -66.8 | -25.3 | 177 | -57.5 | -36.2 | 0 | 0 | 0 | 114 | S302 | S302-D304 VanDerWaalsContact C-N 3.28Å; S302-D304 PolarHBondContact O-N 2.92Å |
| 305 | S | 81.1 | Confident | 82 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -92.2 | -6 | -179.2 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | S302 E303 | S302-S305 PolarHBondContact O-N 3.21Å; S302-S305 VanDerWaalsContact O-N 3.08Å; S302-S305 WeakPolarHBondContact OG-CB 3.43Å; S302-S305 PolarHBondContact OG-N 3.02Å; S302-S305 PolarHBondContact OG-OG 3.43Å; E303-S305 VanDerWaalsContact C-N 3.26Å; E303-S305 PolarHBondContact O-N 3.25Å |
| 306 | Y | 86.8 | Confident | 80.4 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 9% | 0.094 | 36% | 0.358 | C | S | . | . | trans | -74.6 | 147 | -177.6 | 180 | -94 | 0 | 0 | 0 | 111.6 | R271 L297 S302 E303 P308 P348 Q349 D350 V351 E354 | R271-Y306 VanDerWaalsContact NH2-CE2 3.31Å; L297-Y306 HydrophobicContact CD2-CD2 4.41Å; L297-Y306 HydrophobicContact CD2-CE2 4.43Å; S302-Y306 PolarHBondContact O-N 3.43Å; E303-Y306 WeakPolarHBondContact O-CB 3.5Å; E303-Y306 PolarHBondContact O-N 3.3Å; Y306-P308 HydrophobicContact CE1-CG 4.43Å; Y306-P348 PolarHBondContact OH-O 3.49Å; Y306-Q349 WeakPolarHBondContact CD1-O 3.2Å; Y306-Q349 WeakPolarHBondContact CE1-O 3.39Å; Y306-D350 VanDerWaalsContact CE1-CA 3.48Å; Y306-D350 WeakPolarHBondContact CE2-O 3.47Å; Y306-D350 VanDerWaalsContact CZ-C 3.44Å; Y306-D350 PolarHBondContact OH-O 3.26Å; Y306-V351 HydrophobicContact CD2-CB 4.27Å; Y306-V351 HydrophobicContact CD2-CG2 3.61Å; Y306-V351 HydrophobicContact CG-CG2 3.84Å; Y306-E354 HydrophobicContact CE2-CB 4.26Å; Y306-E354 WeakPolarHBondContact CE2-OE2 3.4Å | ||
| 307 | W | 87.7 | Confident | 78.9 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | trans | -140.2 | 144 | 167.7 | 70.3 | 104 | 0 | 0 | 0 | 110.1 | L264 V267 R271 P314 | L264-W307 HydrophobicContact CB-CH2 4.17Å; L264-W307 HydrophobicContact CD2-CH2 3.63Å; L264-W307 HydrophobicContact CD2-CZ3 3.4Å; L264-W307 VanDerWaalsContact CD2-CZ3 3.4Å; V267-W307 HydrophobicContact CB-CH2 4.09Å; V267-W307 HydrophobicContact CG1-CH2 3.76Å; V267-W307 HydrophobicContact CG1-CZ2 4Å; R271-W307 PolarHBondContact NH1-O 2.85Å; R271-W307 PolarHBondContact NH2-O 3.19Å; W307-P314 HydrophobicContact CB-CG 4.42Å | ||
| 308 | P | 87.1 | Confident | 77.2 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 24% | 0.24 | 38% | 0.383 | C | S | . | . | trans | -59.2 | 147.9 | 177.6 | -25.6 | 34.4 | 0 | 0 | 0 | 112.4 | Y306 L310 G311 | Y306-P308 HydrophobicContact CE1-CG 4.43Å; P308-L310 PolarHBondContact O-N 3.41Å; P308-L310 VanDerWaalsContact O-N 3.09Å; P308-G311 PolarHBondContact O-N 2.88Å | ||
| 309 | P | 86.4 | Confident | 75.1 | Confident | 25 Ų | 25 | 71 Ų | 71 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -23.5 | -179.3 | -27.5 | 35.4 | 0 | 0 | 0 | 115.8 | R275 | R275-P309 PolarHBondContact NH1-O 2.71Š|
| 310 | L | 81.1 | Confident | 73.2 | Confident | 117 Ų | 117 | 77.4 Ų | 77.4 | 61% | 0.613 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -10.4 | 175.7 | -61 | 179.4 | 0 | 0 | 0 | 113.2 | P308 C347 | P308-L310 PolarHBondContact O-N 3.41Å; P308-L310 VanDerWaalsContact O-N 3.09Å; L310-C347 HydrophobicContact CD1-CB 4.38Å |
| 311 | G | 74.5 | Confident | 71.4 | Confident | 25 Ų | 25 | 77.6 Ų | 77.6 | 26% | 0.258 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -83.3 | 157.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P308 | P308-G311 PolarHBondContact O-N 2.88Š|
| 312 | P | 70.8 | Confident | 69.2 | Low | 112 Ų | 112 | 79.6 Ų | 79.6 | 73% | 0.727 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 147 | 172.2 | 29.3 | -33.6 | 0 | 0 | 0 | 110.7 | ||
| 313 | P | 69.4 | Low | 66.7 | Low | 39 Ų | 39 | 82.4 Ų | 82.4 | 25% | 0.253 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 150.7 | 174.4 | 28.1 | -33.6 | 0 | 0 | 0 | 110.9 | W317 | P313-W317 HydrophobicContact CB-CD2 4.17Å; P313-W317 HydrophobicContact CB-CE3 3.69Å; P313-W317 HydrophobicContact CB-CZ3 4.17Å; P313-W317 HydrophobicContact CG-CD2 4.49Å; P313-W317 HydrophobicContact CG-CE3 3.55Å; P313-W317 HydrophobicContact CG-CZ3 3.63Å |
| 314 | P | 67.9 | Low | 64.5 | Low | 53 Ų | 53 | 80 Ų | 80 | 34% | 0.344 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 145.7 | -176.8 | -24 | 33.6 | 0 | 0 | 0 | 113.7 | W307 V316 W317 | W307-P314 HydrophobicContact CB-CG 4.42Å; P314-V316 VanDerWaalsContact C-N 3.27Å; P314-V316 PolarHBondContact O-N 2.88Å; P314-W317 WeakPolarHBondContact O-CB 3.29Å; P314-W317 PolarHBondContact O-N 3.39Å |
| 315 | A | 60.5 | Low | 62.3 | Low | 70 Ų | 70 | 76.7 Ų | 76.7 | 58% | 0.579 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.3 | -28.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | W317 L318 Q319 | A315-W317 PolarHBondContact O-N 3.12Å; A315-L318 PolarHBondContact O-N 3.07Å; A315-Q319 PolarHBondContact O-N 3.23Å |
| 316 | V | 58.3 | Low | 60.2 | Low | 104 Ų | 104 | 78.8 Ų | 78.8 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.2 | -28.4 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | P314 R320 | P314-V316 VanDerWaalsContact C-N 3.27Å; P314-V316 PolarHBondContact O-N 2.88Å; V316-R320 PolarHBondContact O-N 2.76Å |
| 317 | W | 58.7 | Low | 57.6 | Low | 52 Ų | 52 | 86.5 Ų | 86.5 | 20% | 0.197 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -73.3 | -42.2 | 177.5 | -177.9 | 73.7 | 0 | 0 | 0 | 112.3 | L264 P313 P314 A315 Q319 R320 E321 | L264-W317 HydrophobicContact CD1-CG 4.4Å; P313-W317 HydrophobicContact CB-CD2 4.17Å; P313-W317 HydrophobicContact CB-CE3 3.69Å; P313-W317 HydrophobicContact CB-CZ3 4.17Å; P313-W317 HydrophobicContact CG-CD2 4.49Å; P313-W317 HydrophobicContact CG-CE3 3.55Å; P313-W317 HydrophobicContact CG-CZ3 3.63Å; P314-W317 WeakPolarHBondContact O-CB 3.29Å; P314-W317 PolarHBondContact O-N 3.39Å; A315-W317 PolarHBondContact O-N 3.12Å; W317-Q319 PolarHBondContact O-N 3.07Å; W317-Q319 VanDerWaalsContact O-N 3.17Å; W317-R320 PolarHBondContact O-N 3.06Å; W317-E321 WeakPolarHBondContact CH2-OE2 3.34Å; W317-E321 VanDerWaalsContact CZ2-CD 3.43Å; W317-E321 WeakPolarHBondContact CZ2-OE1 3.24Å; W317-E321 WeakPolarHBondContact CZ2-OE2 3.48Å; W317-E321 PolarHBondContact O-N 3.47Å |
| 318 | L | 54 | Low | 55.2 | Low | 84 Ų | 84 | 92.5 Ų | 92.5 | 44% | 0.44 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.3 | -21.2 | 175.7 | -75.6 | 160.2 | 0 | 0 | 0 | 112.9 | A315 | A315-L318 PolarHBondContact O-N 3.07Å |
| 319 | Q | 47.3 | Very low | 52.8 | Low | 162 Ų | 162 | 94.2 Ų | 94.2 | 76% | 0.757 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -90.8 | -29.4 | 178.9 | -69.3 | -175.9 | -10.2 | 0 | 0 | 113.9 | A315 W317 | A315-Q319 PolarHBondContact O-N 3.23Å; W317-Q319 PolarHBondContact O-N 3.07Å; W317-Q319 VanDerWaalsContact O-N 3.17Å |
| 320 | R | 49.8 | Very low | 50.6 | Low | 227 Ų | 227 | 99.2 Ų | 99.2 | 86% | 0.857 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.8 | -31.8 | 174.6 | -95.3 | -176.1 | 179.4 | 170.9 | 1.7 | 112.4 | V316 W317 G322 | V316-R320 PolarHBondContact O-N 2.76Å; W317-R320 PolarHBondContact O-N 3.06Å; R320-G322 VanDerWaalsContact C-N 3.32Å; R320-G322 PolarHBondContact O-N 3.18Å |
| 321 | E | 45.9 | Very low | 49 | Very low | 61 Ų | 61 | 97.8 Ų | 97.8 | 29% | 0.285 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -83.6 | 77.1 | 167.6 | -65.5 | -168 | 155.3 | 0 | 0 | 108.7 | K265 W317 A323 | K265-E321 WeakPolarHBondContact CE-OE1 3.45Å; K265-E321 IonicContact NZ-OE1 3.81Å; K265-E321 PolarHBondContact NZ-OE1 3.24Å; K265-E321 VanDerWaalsContact NZ-OE1 3.13Å; W317-E321 WeakPolarHBondContact CH2-OE2 3.34Å; W317-E321 VanDerWaalsContact CZ2-CD 3.43Å; W317-E321 WeakPolarHBondContact CZ2-OE1 3.24Å; W317-E321 WeakPolarHBondContact CZ2-OE2 3.48Å; W317-E321 PolarHBondContact O-N 3.47Å; E321-A323 PolarHBondContact O-N 2.93Å |
| 322 | G | 37.6 | Very low | 47.5 | Very low | 57 Ų | 57 | 102.2 Ų | 102.2 | 59% | 0.588 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.4 | 116.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R320 A324 | R320-G322 VanDerWaalsContact C-N 3.32Å; R320-G322 PolarHBondContact O-N 3.18Å; G322-A324 PolarHBondContact O-N 3.49Å |
| 323 | A | 32.6 | Very low | 46.6 | Very low | 114 Ų | 114 | 98.2 Ų | 98.2 | 94% | 0.942 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 33.8 | 29.9 | 160 | 0 | 0 | 0 | 0 | 0 | 118.9 | E321 | E321-A323 PolarHBondContact O-N 2.93Š|
| 324 | A | 36.5 | Very low | 45.8 | Very low | 79 Ų | 79 | 101.5 Ų | 101.5 | 65% | 0.653 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -130 | 99.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G322 | G322-A324 PolarHBondContact O-N 3.49Š|
| 325 | A | 34.8 | Very low | 45.8 | Very low | 88 Ų | 88 | 103.6 Ų | 103.6 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | trans | 80.4 | 60.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | K327 | A325-K327 PolarHBondContact O-N 3.19Š| ||
| 326 | S | 36.4 | Very low | 46.4 | Very low | 101 Ų | 101 | 103.5 Ų | 103.5 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | trans | -83.6 | 70 | 145.9 | 70.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 327 | K | 32.2 | Very low | 47.5 | Very low | 186 Ų | 186 | 98.8 Ų | 98.8 | 81% | 0.809 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -135.9 | 140.7 | 150.1 | -76.2 | -172.8 | 178.1 | 178.8 | 0 | 104.1 | A325 A329 | A325-K327 PolarHBondContact O-N 3.19Å; K327-A329 VanDerWaalsContact C-N 3.32Å; K327-A329 PolarHBondContact O-N 3.49Å |
| 328 | D | 37.7 | Very low | 48.8 | Very low | 150 Ų | 150 | 101.7 Ų | 101.7 | 80% | 0.802 | 57% | 0.57 | S | S | * | * | trans | -36.8 | 98.9 | 170.7 | -73.7 | -51.6 | 0 | 0 | 0 | 110.6 | M330 | D328-M330 PolarHBondContact O-N 3.2Š| ||
| 329 | A | 37.1 | Very low | 50.3 | Low | 72 Ų | 72 | 102 Ų | 102 | 60% | 0.595 | 57% | 0.566 | S | S | * | * | trans | -76.1 | 52.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | K327 Y331 | K327-A329 VanDerWaalsContact C-N 3.32Å; K327-A329 PolarHBondContact O-N 3.49Å; A329-Y331 HydrophobicContact CB-CE2 4.47Å; A329-Y331 PolarHBondContact O-N 3.41Å | ||
| 330 | M | 39.5 | Very low | 52 | Low | 130 Ų | 130 | 99.3 Ų | 99.3 | 64% | 0.64 | 55% | 0.55 | S | S | * | . | -49.9 | 92.1 | 128.6 | -94.5 | -173.3 | 68.1 | 0 | 0 | 104.6 | D328 P332 | D328-M330 PolarHBondContact O-N 3.2Å; M330-P332 WeakPolarHBondContact O-CD 3.42Å; M330-P332 VanDerWaalsContact O-N 3.09Å | |||
| 331 | Y | 46.6 | Very low | 53 | Low | 87 Ų | 87 | 92.9 Ų | 92.9 | 34% | 0.341 | 55% | 0.545 | S | S | . | . | trans | -52.6 | 117.3 | 146 | -65.5 | -79.3 | 0 | 0 | 0 | 103.9 | S199 L202 A329 T333 | S199-Y331 WeakPolarHBondContact OG-CE1 3.49Å; L202-Y331 HydrophobicContact CD1-CE2 4.37Å; A329-Y331 HydrophobicContact CB-CE2 4.47Å; A329-Y331 PolarHBondContact O-N 3.41Å; Y331-T333 PolarHBondContact O-N 3.03Å | ||
| 332 | P | 43.6 | Very low | 54.1 | Low | 118 Ų | 118 | 94.5 Ų | 94.5 | 77% | 0.766 | 56% | 0.559 | S | S | * | * | trans | -65 | 92 | 179.5 | 24.5 | -30 | 0 | 0 | 0 | 106.7 | M330 F334 | M330-P332 WeakPolarHBondContact O-CD 3.42Å; M330-P332 VanDerWaalsContact O-N 3.09Å; P332-F334 PolarHBondContact O-N 3.1Å | ||
| 333 | T | 51.7 | Low | 55.5 | Low | 29 Ų | 29 | 100.2 Ų | 100.2 | 18% | 0.178 | 58% | 0.576 | C | S | . | * | trans | -73.9 | 120.1 | 166.2 | 49.1 | 0 | 0 | 0 | 0 | 105.9 | D206 Y331 K335 P336 | D206-T333 HydrophobicContact CB-CG2 3.87Å; D206-T333 WeakPolarHBondContact OD2-CG2 3.49Å; Y331-T333 PolarHBondContact O-N 3.03Å; T333-K335 PolarHBondContact O-N 3.1Å; T333-P336 WeakPolarHBondContact O-CD 3.41Å | ||
| 334 | F | 53.8 | Low | 57.6 | Low | 107 Ų | 107 | 100.9 Ų | 100.9 | 47% | 0.469 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -55 | -25.9 | -169.8 | -170.8 | -99.6 | 0 | 0 | 0 | 114.4 | T154 D156 P332 | T154-F334 VanDerWaalsContact CB-CB 3.49Å; T154-F334 HydrophobicContact CG2-CB 4.13Å; T154-F334 WeakPolarHBondContact O-CD1 3.48Å; T154-F334 WeakPolarHBondContact O-CD2 3.39Å; T154-F334 WeakPolarHBondContact O-CE1 3.46Å; T154-F334 WeakPolarHBondContact O-CE2 3.25Å; T154-F334 WeakPolarHBondContact O-CG 3.5Å; T154-F334 WeakPolarHBondContact O-CZ 3.46Å; D156-F334 WeakPolarHBondContact OD1-CE1 3.42Å; D156-F334 VanDerWaalsContact OD1-CZ 3.24Å; D156-F334 WeakPolarHBondContact OD1-CZ 3.31Å; P332-F334 PolarHBondContact O-N 3.1Å |
| 335 | K | 66.4 | Low | 59.7 | Low | 97 Ų | 97 | 100.5 Ų | 100.5 | 42% | 0.422 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -140.8 | 94.4 | 165.9 | -169.4 | 173.5 | 174.4 | -173.8 | 0 | 109.5 | F163 S210 E214 T333 | F163-K335 HydrophobicContact CZ-CD 4.38Å; S210-K335 PolarHBondContact OG-O 2.91Å; E214-K335 VanDerWaalsContact CD-NZ 3.26Å; E214-K335 WeakPolarHBondContact OE1-CE 3.37Å; E214-K335 IonicContact OE1-NZ 3.34Å; E214-K335 PolarHBondContact OE1-NZ 3.34Å; E214-K335 IonicContact OE2-NZ 3.74Å; T333-K335 PolarHBondContact O-N 3.1Å |
| 336 | P | 73.1 | Confident | 62.3 | Low | 68 Ų | 68 | 102.5 Ų | 102.5 | 44% | 0.442 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 145.4 | 179.4 | 28.1 | -32.8 | 0 | 0 | 0 | 109.6 | T333 | T333-P336 WeakPolarHBondContact O-CD 3.41Š|
| 337 | P | 82.4 | Confident | 64.8 | Low | 5 Ų | 5 | 99.1 Ų | 99.1 | 3% | 0.032 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 145.6 | 177.6 | 27.2 | -35.6 | 0 | 0 | 0 | 110.2 | L209 V276 R339 | L209-P337 HydrophobicContact CB-CB 4.03Å; L209-P337 HydrophobicContact CB-CG 4.25Å; V276-P337 HydrophobicContact CG1-CB 3.73Å; V276-P337 HydrophobicContact CG1-CG 4.3Å; V276-P337 HydrophobicContact CG2-CB 4.09Å; V276-P337 HydrophobicContact CG2-CG 3.74Å; P337-R339 PolarHBondContact O-N 3.24Å |
| 338 | Q | 85.5 | Confident | 67.6 | Low | 113 Ų | 113 | 90.6 Ų | 90.6 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 132.5 | 179.3 | -172 | 176.2 | -7.4 | 0 | 0 | 109.6 | Q213 V277 | Q213-Q338 PolarHBondContact NE2-O 3.04Å; V277-Q338 HydrophobicContact CG2-CB 4.35Å; V277-Q338 HydrophobicContact CG2-CG 4Å; V277-Q338 PolarHBondContact N-O 2.77Å |
| 339 | R | 85.8 | Confident | 70.1 | Confident | 92 Ų | 92 | 89.2 Ų | 89.2 | 35% | 0.347 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -110.3 | 154.1 | -179.3 | -62.8 | -179.9 | -176.5 | 171 | 2.1 | 110.9 | R275 V276 P337 A341 | R275-R339 CarbonylContact O-C 3.56Å; R275-R339 VanDerWaalsContact O-CA 3.24Å; R275-R339 WeakPolarHBondContact O-CA 3.45Å; R275-R339 WeakPolarHBondContact O-CB 3.44Å; V276-R339 HydrophobicContact CG2-CG 4.39Å; P337-R339 PolarHBondContact O-N 3.24Å; R339-A341 PolarHBondContact O-N 3.05Å |
| 340 | Y | 83.9 | Confident | 72.6 | Confident | 105 Ų | 105 | 87.1 Ų | 87.1 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | trans | -61.8 | 117 | 168.4 | -65.3 | -75.8 | 0 | 0 | 0 | 109.2 | R275 V276 V277 E278 | R275-Y340 WeakPolarHBondContact O-CD2 3.35Å; R275-Y340 PolarHBondContact O-N 3.49Å; V276-Y340 WeakPolarHBondContact O-CE2 3.48Å; V277-Y340 HydrophobicContact CG1-CE1 4.45Å; V277-Y340 HydrophobicContact CG2-CD1 4.21Å; V277-Y340 HydrophobicContact CG2-CE1 4.28Å; V277-Y340 HydrophobicContact CG2-CG 4.38Å; E278-Y340 WeakPolarHBondContact CB-OH 3.21Å; E278-Y340 PolarHBondContact N-OH 2.85Å; E278-Y340 VanDerWaalsContact N-OH 3.1Å | ||
| 341 | A | 70.8 | Confident | 75.1 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 75% | 0.752 | 44% | 0.435 | S | S | * | . | trans | -145.6 | 92.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | R339 | R339-A341 PolarHBondContact O-N 3.05Š| ||
| 342 | T | 67.2 | Low | 77.2 | Confident | 95 Ų | 95 | 77.6 Ų | 77.6 | 58% | 0.583 | 42% | 0.422 | S | S | * | . | trans | -134.2 | 137.8 | 167.8 | 52.2 | 0 | 0 | 0 | 0 | 108 | C344 C345 | T342-C344 PolarHBondContact O-N 3.26Å; T342-C345 PolarHBondContact O-N 2.97Å; T342-C345 PolarHBondContact OG1-SG 3.42Å | ||
| 343 | D | 68.2 | Low | 79.6 | Confident | 177 Ų | 177 | 75.6 Ų | 75.6 | 95% | 0.947 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13.6 | -171.9 | -59.7 | -28.9 | 0 | 0 | 0 | 113.8 | ||
| 344 | C | 76.6 | Confident | 81.6 | Confident | 128 Ų | 128 | 74.6 Ų | 74.6 | 87% | 0.865 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 15.1 | 178.5 | -51.9 | 0 | 0 | 0 | 0 | 114.4 | T342 | T342-C344 PolarHBondContact O-N 3.26Š|
| 345 | C | 81.3 | Confident | 83.5 | Confident | 71 Ų | 71 | 69.5 Ų | 69.5 | 48% | 0.48 | 37% | 0.374 | S | S | . | . | trans | -69.4 | 136.5 | 177 | -87 | 0 | 0 | 0 | 0 | 112.1 | T342 C347 | T342-C345 PolarHBondContact O-N 2.97Å; T342-C345 PolarHBondContact OG1-SG 3.42Å; C345-C347 PolarHBondContact O-N 3.05Å | ||
| 346 | F | 88.9 | Confident | 84.8 | Confident | 130 Ų | 130 | 66 Ų | 66 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | trans | -63.3 | 131.7 | 166.7 | 176.8 | -105 | 0 | 0 | 0 | 110.7 | P348 E353 L357 | F346-P348 HydrophobicContact CD1-CG 4.47Å; F346-P348 HydrophobicContact CE1-CB 4.46Å; F346-P348 HydrophobicContact CE1-CG 3.94Å; F346-E353 HydrophobicContact CZ-CB 4.48Å; F346-L357 HydrophobicContact CD1-CD2 4.01Å; F346-L357 HydrophobicContact CE1-CD2 4.15Å | ||
| 347 | C | 87.6 | Confident | 85.8 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 20% | 0.203 | 36% | 0.355 | C | S | . | . | trans | -125.1 | 116.2 | 176.7 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | L310 C345 Q349 | L310-C347 HydrophobicContact CD1-CB 4.38Å; C345-C347 PolarHBondContact O-N 3.05Å; C347-Q349 PolarHBondContact O-N 3.06Å; C347-Q349 PolarHBondContact O-NE2 3.29Å | ||
| 348 | P | 92.3 | Very high | 86.4 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | trans | -58.8 | 134.1 | -179.5 | -25.6 | 34 | 0 | 0 | 0 | 113.2 | Y306 F346 E353 E354 L357 | Y306-P348 PolarHBondContact OH-O 3.49Å; F346-P348 HydrophobicContact CD1-CG 4.47Å; F346-P348 HydrophobicContact CE1-CB 4.46Å; F346-P348 HydrophobicContact CE1-CG 3.94Å; P348-E353 HydrophobicContact CB-CB 4.06Å; P348-E354 HydrophobicContact CB-CB 3.62Å; P348-E354 HydrophobicContact CB-CG 4.24Å; P348-E354 HydrophobicContact CG-CB 3.98Å; P348-E354 HydrophobicContact CG-CG 4.15Å; P348-L357 HydrophobicContact CG-CD2 3.72Å | ||
| 349 | Q | 89.8 | Confident | 86.8 | Confident | 121 Ų | 121 | 60.7 Ų | 60.7 | 57% | 0.565 | 33% | 0.331 | S | S | * | . | trans | -99.6 | -16.4 | -178.9 | -59.8 | -56.1 | -33.7 | 0 | 0 | 113.3 | Y306 C347 E353 | Y306-Q349 WeakPolarHBondContact CD1-O 3.2Å; Y306-Q349 WeakPolarHBondContact CE1-O 3.39Å; C347-Q349 PolarHBondContact O-N 3.06Å; C347-Q349 PolarHBondContact O-NE2 3.29Å; Q349-E353 PolarHBondContact N-OE2 3.35Å | ||
| 350 | D | 90.1 | Very high | 87.1 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 15% | 0.15 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -140.2 | 173.3 | 178.1 | 70.8 | 33 | 0 | 0 | 0 | 113.7 | Y306 V352 E353 E354 R403 | Y306-D350 VanDerWaalsContact CE1-CA 3.48Å; Y306-D350 WeakPolarHBondContact CE2-O 3.47Å; Y306-D350 VanDerWaalsContact CZ-C 3.44Å; Y306-D350 PolarHBondContact OH-O 3.26Å; D350-V352 VanDerWaalsContact C-N 3.27Å; D350-V352 PolarHBondContact O-N 2.89Å; D350-V352 PolarHBondContact OD1-N 3.41Å; D350-E353 VanDerWaalsContact OD1-CB 3.32Å; D350-E353 WeakPolarHBondContact OD1-CB 3.38Å; D350-E353 VanDerWaalsContact OD1-CG 3.31Å; D350-E353 WeakPolarHBondContact OD1-CG 3.39Å; D350-E353 PolarHBondContact OD1-N 3.07Å; D350-E354 PolarHBondContact O-N 3.37Å; D350-E354 VanDerWaalsContact O-N 3.13Å; D350-R403 IonicContact OD2-CZ 3.74Å; D350-R403 VanDerWaalsContact OD2-CZ 3.28Å; D350-R403 IonicContact OD2-NH1 3.84Å; D350-R403 PolarHBondContact OD2-NH1 2.88Å; D350-R403 IonicContact OD2-NH2 2.74Å; D350-R403 PolarHBondContact OD2-NH2 3.43Å |
| 351 | V | 91.6 | Very high | 87.5 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.5 | -39.2 | -179 | -177 | 0 | 0 | 0 | 0 | 111.5 | L297 V301 Y306 A355 | L297-V351 HydrophobicContact CB-CG1 3.96Å; L297-V351 VanDerWaalsContact O-CG1 3.23Å; L297-V351 WeakPolarHBondContact O-CG1 3.4Å; V301-V351 HydrophobicContact CG1-CG2 4.2Å; Y306-V351 HydrophobicContact CD2-CB 4.27Å; Y306-V351 HydrophobicContact CD2-CG2 3.61Å; Y306-V351 HydrophobicContact CG-CG2 3.84Å; V351-A355 WeakPolarHBondContact O-CB 3.33Å; V351-A355 PolarHBondContact O-N 3.37Å |
| 352 | V | 91.7 | Very high | 88.4 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78.6 | -43 | -172.3 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | D350 E354 A355 V356 G399 R403 | D350-V352 VanDerWaalsContact C-N 3.27Å; D350-V352 PolarHBondContact O-N 2.89Å; D350-V352 PolarHBondContact OD1-N 3.41Å; V352-E354 PolarHBondContact O-N 2.84Å; V352-A355 PolarHBondContact O-N 3.22Å; V352-V356 HydrophobicContact CG1-CG2 4.06Å; V352-V356 WeakPolarHBondContact O-CB 3.13Å; V352-V356 VanDerWaalsContact O-CG2 3.24Å; V352-V356 WeakPolarHBondContact O-CG2 3.43Å; V352-V356 PolarHBondContact O-N 2.76Å; V352-G399 WeakPolarHBondContact CG1-O 3.31Å; V352-R403 HydrophobicContact CB-CG 4.32Å; V352-R403 HydrophobicContact CG1-CG 3.79Å; V352-R403 HydrophobicContact CG2-CG 4.37Å |
| 353 | E | 92.5 | Very high | 89.5 | Confident | 76 Ų | 76 | 47.9 Ų | 47.9 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.8 | -47 | 173.5 | -74.4 | -178.8 | 177.5 | 0 | 0 | 111.1 | F346 P348 Q349 D350 L357 | F346-E353 HydrophobicContact CZ-CB 4.48Å; P348-E353 HydrophobicContact CB-CB 4.06Å; Q349-E353 PolarHBondContact N-OE2 3.35Å; D350-E353 VanDerWaalsContact OD1-CB 3.32Å; D350-E353 WeakPolarHBondContact OD1-CB 3.38Å; D350-E353 VanDerWaalsContact OD1-CG 3.31Å; D350-E353 WeakPolarHBondContact OD1-CG 3.39Å; D350-E353 PolarHBondContact OD1-N 3.07Å; E353-L357 VanDerWaalsContact O-CB 3.23Å; E353-L357 WeakPolarHBondContact O-CB 3.5Å; E353-L357 PolarHBondContact O-N 3.3Å |
| 354 | E | 94.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -46.1 | 178.8 | -168.5 | 179.1 | -169 | 0 | 0 | 110.4 | R271 L297 Y306 P348 D350 V352 V356 L357 L358 | R271-E354 WeakPolarHBondContact CG-OE1 3.42Å; R271-E354 IonicContact CZ-OE1 3.53Å; R271-E354 IonicContact CZ-OE2 3.22Å; R271-E354 IonicContact NE-OE1 3.22Å; R271-E354 PolarHBondContact NE-OE1 3.44Å; R271-E354 IonicContact NE-OE2 3.17Å; R271-E354 PolarHBondContact NE-OE2 2.84Å; R271-E354 IonicContact NH2-OE1 3.28Å; R271-E354 IonicContact NH2-OE2 3.54Å; R271-E354 PolarHBondContact NH2-OE2 3.05Å; L297-E354 HydrophobicContact CD1-CB 3.95Å; L297-E354 HydrophobicContact CD1-CG 3.72Å; L297-E354 WeakPolarHBondContact CD1-OE2 3.28Å; Y306-E354 HydrophobicContact CE2-CB 4.26Å; Y306-E354 WeakPolarHBondContact CE2-OE2 3.4Å; P348-E354 HydrophobicContact CB-CB 3.62Å; P348-E354 HydrophobicContact CB-CG 4.24Å; P348-E354 HydrophobicContact CG-CB 3.98Å; P348-E354 HydrophobicContact CG-CG 4.15Å; D350-E354 PolarHBondContact O-N 3.37Å; D350-E354 VanDerWaalsContact O-N 3.13Å; V352-E354 PolarHBondContact O-N 2.84Å; E354-V356 PolarHBondContact O-N 3.47Å; E354-L357 PolarHBondContact O-N 3.31Å; E354-L358 HydrophobicContact CG-CD1 3.94Å; E354-L358 HydrophobicContact CG-CG 4.41Å; E354-L358 WeakPolarHBondContact O-CB 3.33Å; E354-L358 WeakPolarHBondContact O-CD1 3.49Å; E354-L358 WeakPolarHBondContact O-CG 3.39Å; E354-L358 PolarHBondContact O-N 3.29Å |
| 355 | A | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A294 L297 L298 V351 V352 L358 L359 | A294-A355 HydrophobicContact CB-CB 4.49Å; L297-A355 HydrophobicContact CB-CB 4.48Å; L298-A355 HydrophobicContact CD1-CB 4.18Å; L298-A355 HydrophobicContact CD2-CB 3.8Å; L298-A355 HydrophobicContact CG-CB 3.78Å; V351-A355 WeakPolarHBondContact O-CB 3.33Å; V351-A355 PolarHBondContact O-N 3.37Å; V352-A355 PolarHBondContact O-N 3.22Å; A355-L358 PolarHBondContact O-N 3.07Å; A355-L359 WeakPolarHBondContact O-CB 3.38Å; A355-L359 WeakPolarHBondContact O-CD1 3.49Å; A355-L359 WeakPolarHBondContact O-CG 3.38Å; A355-L359 PolarHBondContact O-N 2.76Å |
| 356 | V | 93.3 | Very high | 90.8 | Very high | 23 Ų | 23 | 34.9 Ų | 34.9 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -43.3 | 179.4 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V352 E354 L358 L359 L360 M400 | V352-V356 HydrophobicContact CG1-CG2 4.06Å; V352-V356 WeakPolarHBondContact O-CB 3.13Å; V352-V356 VanDerWaalsContact O-CG2 3.24Å; V352-V356 WeakPolarHBondContact O-CG2 3.43Å; V352-V356 PolarHBondContact O-N 2.76Å; E354-V356 PolarHBondContact O-N 3.47Å; V356-L358 VanDerWaalsContact C-N 3.34Å; V356-L358 PolarHBondContact O-N 2.9Å; V356-L359 PolarHBondContact O-N 2.77Å; V356-L360 HydrophobicContact CG1-CD1 3.89Å; V356-L360 HydrophobicContact CG1-CG 4.21Å; V356-L360 WeakPolarHBondContact O-CB 3.49Å; V356-L360 VanDerWaalsContact O-CG 3.27Å; V356-L360 WeakPolarHBondContact O-CG 3.49Å; V356-L360 PolarHBondContact O-N 3.42Å; V356-M400 HydrophobicContact CG1-CE 4Å; V356-M400 HydrophobicContact CG2-CG 4.4Å |
| 357 | L | 94.3 | Very high | 90.3 | Very high | 62 Ų | 62 | 31 Ų | 31 | 33% | 0.325 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.1 | -48.8 | 175.4 | 176.2 | 64.9 | 0 | 0 | 0 | 111.3 | F346 P348 E353 E354 L359 L360 I361 | F346-L357 HydrophobicContact CD1-CD2 4.01Å; F346-L357 HydrophobicContact CE1-CD2 4.15Å; P348-L357 HydrophobicContact CG-CD2 3.72Å; E353-L357 VanDerWaalsContact O-CB 3.23Å; E353-L357 WeakPolarHBondContact O-CB 3.5Å; E353-L357 PolarHBondContact O-N 3.3Å; E354-L357 PolarHBondContact O-N 3.31Å; L357-L359 VanDerWaalsContact C-N 3.33Å; L357-L359 PolarHBondContact O-N 3.08Å; L357-L360 PolarHBondContact O-N 2.93Å; L357-I361 HydrophobicContact CD1-CD1 4.22Å; L357-I361 HydrophobicContact CG-CD1 4.09Å; L357-I361 VanDerWaalsContact O-CG1 3.28Å; L357-I361 WeakPolarHBondContact O-CG1 3.37Å; L357-I361 PolarHBondContact O-N 3.31Å |
| 358 | L | 94.9 | Very high | 89.7 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 178.5 | -68.9 | 168.2 | 0 | 0 | 0 | 111.6 | L274 A290 L293 A294 L297 E354 A355 V356 I361 T362 | L274-L358 HydrophobicContact CD1-CD2 3.77Å; A290-L358 HydrophobicContact CB-CB 4.37Å; A290-L358 HydrophobicContact CB-CD2 3.97Å; L293-L358 HydrophobicContact CB-CD1 3.88Å; L293-L358 HydrophobicContact CD2-CD1 3.54Å; L293-L358 HydrophobicContact CD2-CD2 4.3Å; L293-L358 HydrophobicContact CG-CD1 3.53Å; A294-L358 HydrophobicContact CB-CB 4.22Å; A294-L358 HydrophobicContact CB-CD1 4.45Å; L297-L358 HydrophobicContact CD1-CD1 3.9Å; E354-L358 HydrophobicContact CG-CD1 3.94Å; E354-L358 HydrophobicContact CG-CG 4.41Å; E354-L358 WeakPolarHBondContact O-CB 3.33Å; E354-L358 WeakPolarHBondContact O-CD1 3.49Å; E354-L358 WeakPolarHBondContact O-CG 3.39Å; E354-L358 PolarHBondContact O-N 3.29Å; A355-L358 PolarHBondContact O-N 3.07Å; V356-L358 VanDerWaalsContact C-N 3.34Å; V356-L358 PolarHBondContact O-N 2.9Å; L358-I361 PolarHBondContact O-N 3.45Å; L358-T362 WeakPolarHBondContact O-CG2 3.42Å; L358-T362 PolarHBondContact O-N 3.38Å; L358-T362 PolarHBondContact O-OG1 3.2Å |
| 359 | L | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | -179.9 | -69.8 | 166.1 | 0 | 0 | 0 | 112.1 | A294 L298 A355 V356 L357 I361 T362 E363 V392 L395 L396 | A294-L359 HydrophobicContact CB-CD1 4.32Å; A294-L359 HydrophobicContact CB-CD2 3.9Å; A294-L359 HydrophobicContact CB-CG 3.81Å; L298-L359 HydrophobicContact CD1-CD1 4.36Å; A355-L359 WeakPolarHBondContact O-CB 3.38Å; A355-L359 WeakPolarHBondContact O-CD1 3.49Å; A355-L359 WeakPolarHBondContact O-CG 3.38Å; A355-L359 PolarHBondContact O-N 2.76Å; V356-L359 PolarHBondContact O-N 2.77Å; L357-L359 VanDerWaalsContact C-N 3.33Å; L357-L359 PolarHBondContact O-N 3.08Å; L359-I361 VanDerWaalsContact C-N 3.35Å; L359-T362 VanDerWaalsContact CA-OG1 3.29Å; L359-T362 WeakPolarHBondContact CA-OG1 3.47Å; L359-T362 PolarHBondContact O-N 3.27Å; L359-T362 PolarHBondContact O-OG1 3.28Å; L359-E363 WeakPolarHBondContact O-CB 3.42Å; L359-E363 PolarHBondContact O-N 2.97Å; L359-V392 HydrophobicContact CD2-CG1 4.28Å; L359-L395 HydrophobicContact CD1-CB 3.78Å; L359-L395 HydrophobicContact CD2-CB 3.69Å; L359-L395 HydrophobicContact CD2-CD1 4.02Å; L359-L395 HydrophobicContact CG-CB 4.41Å; L359-L396 HydrophobicContact CD1-CB 4.22Å |
| 360 | L | 92.4 | Very high | 87.8 | Confident | 50 Ų | 50 | 32.9 Ų | 32.9 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 174.2 | -69.8 | 174 | 0 | 0 | 0 | 111.9 | V356 L357 E363 S364 L396 M408 | V356-L360 HydrophobicContact CG1-CD1 3.89Å; V356-L360 HydrophobicContact CG1-CG 4.21Å; V356-L360 WeakPolarHBondContact O-CB 3.49Å; V356-L360 VanDerWaalsContact O-CG 3.27Å; V356-L360 WeakPolarHBondContact O-CG 3.49Å; V356-L360 PolarHBondContact O-N 3.42Å; L357-L360 PolarHBondContact O-N 2.93Å; L360-E363 PolarHBondContact O-N 3.35Å; L360-S364 PolarHBondContact O-N 3.43Å; L360-L396 HydrophobicContact CD2-CD1 4.24Å; L360-M408 HydrophobicContact CD1-CE 4.28Å |
| 361 | I | 91 | Very high | 87.1 | Confident | 58 Ų | 58 | 33.6 Ų | 33.6 | 30% | 0.297 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61 | -48.7 | 171.8 | -67.5 | 164.6 | 0 | 0 | 0 | 109.5 | L357 L358 L359 E363 S364 M365 | L357-I361 HydrophobicContact CD1-CD1 4.22Å; L357-I361 HydrophobicContact CG-CD1 4.09Å; L357-I361 VanDerWaalsContact O-CG1 3.28Å; L357-I361 WeakPolarHBondContact O-CG1 3.37Å; L357-I361 PolarHBondContact O-N 3.31Å; L358-I361 PolarHBondContact O-N 3.45Å; L359-I361 VanDerWaalsContact C-N 3.35Å; I361-E363 VanDerWaalsContact C-N 3.31Å; I361-E363 PolarHBondContact O-N 3.1Å; I361-S364 PolarHBondContact O-N 2.95Å; I361-S364 PolarHBondContact O-OG 3.32Å; I361-M365 HydrophobicContact CG2-CE 3.74Å; I361-M365 HydrophobicContact CG2-SD 4.19Å; I361-M365 WeakPolarHBondContact O-CG 3.39Å; I361-M365 PolarHBondContact O-N 3Å; I361-M365 VanDerWaalsContact O-N 3.16Å |
| 362 | T | 90.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -35.9 | 178.9 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | K287 A290 M291 L358 L359 M365 T366 | K287-T362 HydrophobicContact CG-CG2 4.47Å; K287-T362 WeakPolarHBondContact O-CG2 3.03Å; A290-T362 HydrophobicContact CB-CG2 3.57Å; M291-T362 HydrophobicContact CB-CG2 4.34Å; L358-T362 WeakPolarHBondContact O-CG2 3.42Å; L358-T362 PolarHBondContact O-N 3.38Å; L358-T362 PolarHBondContact O-OG1 3.2Å; L359-T362 VanDerWaalsContact CA-OG1 3.29Å; L359-T362 WeakPolarHBondContact CA-OG1 3.47Å; L359-T362 PolarHBondContact O-N 3.27Å; L359-T362 PolarHBondContact O-OG1 3.28Å; T362-M365 PolarHBondContact O-N 3.11Å; T362-T366 VanDerWaalsContact O-CG2 3.3Å; T362-T366 WeakPolarHBondContact O-CG2 3.46Å; T362-T366 PolarHBondContact O-N 3.42Å; T362-T366 PolarHBondContact O-OG1 3.41Å |
| 363 | E | 90.1 | Very high | 85.6 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 175.5 | -169.5 | -157.6 | 179.6 | 0 | 0 | 111.3 | L359 L360 I361 M365 T366 S367 V392 Y393 R415 | L359-E363 WeakPolarHBondContact O-CB 3.42Å; L359-E363 PolarHBondContact O-N 2.97Å; L360-E363 PolarHBondContact O-N 3.35Å; I361-E363 VanDerWaalsContact C-N 3.31Å; I361-E363 PolarHBondContact O-N 3.1Å; E363-M365 VanDerWaalsContact C-N 3.3Å; E363-M365 PolarHBondContact O-N 3.18Å; E363-T366 WeakPolarHBondContact CA-OG1 3.34Å; E363-T366 PolarHBondContact O-N 3.35Å; E363-T366 PolarHBondContact O-OG1 3.21Å; E363-S367 WeakPolarHBondContact O-CB 3.33Å; E363-S367 PolarHBondContact O-N 3.03Å; E363-S367 PolarHBondContact O-OG 3.18Å; E363-V392 HydrophobicContact CB-CG1 4.24Å; E363-Y393 HydrophobicContact CG-CE1 4.1Å; E363-Y393 WeakPolarHBondContact CG-OH 3.44Å; E363-Y393 WeakPolarHBondContact OE1-CE1 3.26Å; E363-Y393 PolarHBondContact OE1-OH 2.95Å; E363-R415 IonicContact OE1-CZ 2.99Å; E363-R415 IonicContact OE1-NE 3.16Å; E363-R415 IonicContact OE1-NH1 3.43Å; E363-R415 PolarHBondContact OE1-NH1 2.99Å; E363-R415 IonicContact OE1-NH2 3.71Å; E363-R415 PolarHBondContact OE1-NH2 2.59Å; E363-R415 IonicContact OE2-CZ 3.7Å; E363-R415 IonicContact OE2-NH1 3.47Å; E363-R415 PolarHBondContact OE2-NH1 3.46Å; E363-R415 IonicContact OE2-NH2 3.79Å; E363-R415 PolarHBondContact OE2-NH2 3.47Å |
| 364 | S | 88.4 | Confident | 84.8 | Confident | 70 Ų | 70 | 45.6 Ų | 45.6 | 49% | 0.49 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 177.5 | 76.1 | 0 | 0 | 0 | 0 | 111.1 | L360 I361 S367 G368 | L360-S364 PolarHBondContact O-N 3.43Å; I361-S364 PolarHBondContact O-N 2.95Å; I361-S364 PolarHBondContact O-OG 3.32Å; S364-S367 PolarHBondContact O-N 3.01Å; S364-S367 PolarHBondContact O-OG 3.43Å; S364-G368 PolarHBondContact O-N 3.47Å |
| 365 | M | 84.3 | Confident | 84.2 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.5 | -45.8 | 178.7 | -66.2 | 176.7 | 174.7 | 0 | 0 | 112.3 | K287 I361 T362 E363 S367 G368 E369 | K287-M365 HydrophobicContact CB-SD 4Å; K287-M365 HydrophobicContact CD-CB 4.44Å; I361-M365 HydrophobicContact CG2-CE 3.74Å; I361-M365 HydrophobicContact CG2-SD 4.19Å; I361-M365 WeakPolarHBondContact O-CG 3.39Å; I361-M365 PolarHBondContact O-N 3Å; I361-M365 VanDerWaalsContact O-N 3.16Å; T362-M365 PolarHBondContact O-N 3.11Å; E363-M365 VanDerWaalsContact C-N 3.3Å; E363-M365 PolarHBondContact O-N 3.18Å; M365-S367 VanDerWaalsContact C-N 3.27Å; M365-S367 PolarHBondContact O-N 2.95Å; M365-G368 PolarHBondContact O-N 3.45Å; M365-E369 PolarHBondContact O-N 2.93Å |
| 366 | T | 81.1 | Confident | 83.5 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -34.4 | 177.6 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | K287 T362 E363 G368 E369 A370 | K287-T366 HydrophobicContact CD-CG2 4.07Å; T362-T366 VanDerWaalsContact O-CG2 3.3Å; T362-T366 WeakPolarHBondContact O-CG2 3.46Å; T362-T366 PolarHBondContact O-N 3.42Å; T362-T366 PolarHBondContact O-OG1 3.41Å; E363-T366 WeakPolarHBondContact CA-OG1 3.34Å; E363-T366 PolarHBondContact O-N 3.35Å; E363-T366 PolarHBondContact O-OG1 3.21Å; T366-G368 VanDerWaalsContact C-N 3.3Å; T366-G368 PolarHBondContact O-N 3.36Å; T366-E369 PolarHBondContact O-N 3.29Å; T366-A370 PolarHBondContact O-N 3.47Å |
| 367 | S | 77.9 | Confident | 83 | Confident | 47 Ų | 47 | 61 Ų | 61 | 33% | 0.329 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.7 | -27.7 | 179.1 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | E363 S364 M365 | E363-S367 WeakPolarHBondContact O-CB 3.33Å; E363-S367 PolarHBondContact O-N 3.03Å; E363-S367 PolarHBondContact O-OG 3.18Å; S364-S367 PolarHBondContact O-N 3.01Å; S364-S367 PolarHBondContact O-OG 3.43Å; M365-S367 VanDerWaalsContact C-N 3.27Å; M365-S367 PolarHBondContact O-N 2.95Å |
| 368 | G | 74.2 | Confident | 82.5 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 72% | 0.722 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -74.7 | -30.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S364 M365 T366 | S364-G368 PolarHBondContact O-N 3.47Å; M365-G368 PolarHBondContact O-N 3.45Å; T366-G368 VanDerWaalsContact C-N 3.3Å; T366-G368 PolarHBondContact O-N 3.36Å |
| 369 | E | 69.5 | Low | 81.8 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -96.3 | 8.5 | -178.1 | -63.2 | 177.9 | 164.8 | 0 | 0 | 113.1 | K287 M365 T366 V371 | K287-E369 IonicContact NZ-OE2 3.83Å; M365-E369 PolarHBondContact O-N 2.93Å; T366-E369 PolarHBondContact O-N 3.29Å; E369-V371 PolarHBondContact O-N 3.36Å |
| 370 | A | 72.4 | Confident | 81.3 | Confident | 22 Ų | 22 | 71.8 Ų | 71.8 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | trans | -68 | 121 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T366 I372 F419 | T366-A370 PolarHBondContact O-N 3.47Å; A370-I372 HydrophobicContact CB-CG1 4.18Å; A370-I372 PolarHBondContact O-N 3.4Å; A370-F419 HydrophobicContact CB-CD1 4.21Å; A370-F419 HydrophobicContact CB-CE1 3.41Å; A370-F419 VanDerWaalsContact CB-CE1 3.41Å; A370-F419 HydrophobicContact CB-CZ 4.21Å | ||
| 371 | V | 75.1 | Confident | 80.8 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 27% | 0.267 | 41% | 0.409 | S | S | . | . | trans | -85.4 | 91.7 | 172.6 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | E369 Q378 A381 | E369-V371 PolarHBondContact O-N 3.36Å; V371-Q378 HydrophobicContact CG1-CB 4.1Å; V371-A381 HydrophobicContact CG1-CB 4.46Å; V371-A381 HydrophobicContact CG2-CB 4.19Å | ||
| 372 | I | 75.9 | Confident | 80.4 | Confident | 112 Ų | 112 | 72 Ų | 72 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | trans | -84.6 | -18.8 | -177.6 | -54.8 | 168 | 0 | 0 | 0 | 112.1 | A370 R374 | A370-I372 HydrophobicContact CB-CG1 4.18Å; A370-I372 PolarHBondContact O-N 3.4Å; I372-R374 PolarHBondContact O-N 3.01Å | ||
| 373 | S | 76.4 | Confident | 80.1 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 31% | 0.308 | 43% | 0.426 | S | S | . | . | trans | -61.2 | 135.2 | -176.5 | 163.8 | 0 | 0 | 0 | 0 | 112 | Q378 R382 | S373-Q378 PolarHBondContact OG-OE1 2.89Å; S373-R382 PolarHBondContact O-NE 2.96Å; S373-R382 PolarHBondContact O-NH2 3.04Å | ||
| 374 | R | 76.7 | Confident | 79.9 | Confident | 188 Ų | 188 | 78.4 Ų | 78.4 | 71% | 0.709 | 44% | 0.444 | S | S | * | . | trans | -89.3 | 5.3 | -175.3 | -66.2 | -173.3 | -176.6 | 176.2 | 1 | 114.5 | I372 R382 | I372-R374 PolarHBondContact O-N 3.01Å; R374-R382 PolarHBondContact O-NH2 2.64Å | ||
| 375 | L | 81.7 | Confident | 79.7 | Confident | 99 Ų | 99 | 76 Ų | 76 | 52% | 0.518 | 43% | 0.427 | S | S | . | . | trans | -63.7 | 143.5 | -179 | -65.8 | 170.2 | 0 | 0 | 0 | 111.4 | D377 Q378 R382 | L375-D377 VanDerWaalsContact C-N 3.27Å; L375-D377 PolarHBondContact O-N 3.32Å; L375-Q378 PolarHBondContact O-N 2.86Å; L375-R382 PolarHBondContact O-NH2 2.93Å; L375-R382 VanDerWaalsContact O-NH2 3.07Å | ||
| 376 | P | 78.1 | Confident | 79.7 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 68% | 0.675 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -62.5 | -34.6 | -180 | 24.4 | -32.8 | 0 | 0 | 0 | 112.2 | Q378 A379 | P376-Q378 PolarHBondContact O-N 2.91Å; P376-A379 WeakPolarHBondContact O-CB 3.22Å; P376-A379 PolarHBondContact O-N 3.49Å; P376-A379 VanDerWaalsContact O-N 3.12Å |
| 377 | D | 83.9 | Confident | 80 | Confident | 153 Ų | 153 | 80.8 Ų | 80.8 | 82% | 0.818 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -63.1 | -16.3 | 179.6 | -56.4 | -14 | 0 | 0 | 0 | 113.5 | L375 | L375-D377 VanDerWaalsContact C-N 3.27Å; L375-D377 PolarHBondContact O-N 3.32Å |
| 378 | Q | 82.7 | Confident | 80.3 | Confident | 77 Ų | 77 | 81.5 Ų | 81.5 | 36% | 0.36 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -112.6 | 15.4 | -179 | -67.2 | -178.9 | -31.6 | 0 | 0 | 112.9 | V371 S373 L375 P376 E380 A381 R382 | V371-Q378 HydrophobicContact CG1-CB 4.1Å; S373-Q378 PolarHBondContact OG-OE1 2.89Å; L375-Q378 PolarHBondContact O-N 2.86Å; P376-Q378 PolarHBondContact O-N 2.91Å; Q378-E380 PolarHBondContact O-N 3.4Å; Q378-A381 PolarHBondContact O-N 3.44Å; Q378-R382 WeakPolarHBondContact O-CB 3.49Å; Q378-R382 PolarHBondContact O-N 2.98Å |
| 379 | A | 80.9 | Confident | 80.9 | Confident | 50 Ų | 50 | 78.2 Ų | 78.2 | 41% | 0.413 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P376 R382 Q383 | P376-A379 WeakPolarHBondContact O-CB 3.22Å; P376-A379 PolarHBondContact O-N 3.49Å; P376-A379 VanDerWaalsContact O-N 3.12Å; A379-R382 PolarHBondContact O-N 2.87Å; A379-Q383 PolarHBondContact O-N 2.88Å |
| 380 | E | 83.6 | Confident | 81.9 | Confident | 173 Ų | 173 | 74.4 Ų | 74.4 | 81% | 0.808 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 179.5 | -65 | -177 | 174.7 | 0 | 0 | 112 | Q378 R382 Q383 A384 | Q378-E380 PolarHBondContact O-N 3.4Å; E380-R382 VanDerWaalsContact C-N 3.31Å; E380-R382 PolarHBondContact O-N 2.84Å; E380-Q383 PolarHBondContact O-N 3.28Å; E380-A384 PolarHBondContact O-N 3.04Å |
| 381 | A | 81.4 | Confident | 82.7 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V371 Q378 A384 S385 | V371-A381 HydrophobicContact CG1-CB 4.46Å; V371-A381 HydrophobicContact CG2-CB 4.19Å; Q378-A381 PolarHBondContact O-N 3.44Å; A381-A384 PolarHBondContact O-N 3.22Å; A381-S385 PolarHBondContact O-N 3.3Å; A381-S385 PolarHBondContact O-OG 3.2Å |
| 382 | R | 83.7 | Confident | 83.5 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 23% | 0.234 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 173.8 | -166.8 | -174.3 | -47.6 | 137.5 | 24.4 | 111.3 | S373 R374 L375 Q378 A379 E380 A384 S385 L386 | S373-R382 PolarHBondContact O-NE 2.96Å; S373-R382 PolarHBondContact O-NH2 3.04Å; R374-R382 PolarHBondContact O-NH2 2.64Å; L375-R382 PolarHBondContact O-NH2 2.93Å; L375-R382 VanDerWaalsContact O-NH2 3.07Å; Q378-R382 WeakPolarHBondContact O-CB 3.49Å; Q378-R382 PolarHBondContact O-N 2.98Å; A379-R382 PolarHBondContact O-N 2.87Å; E380-R382 VanDerWaalsContact C-N 3.31Å; E380-R382 PolarHBondContact O-N 2.84Å; R382-A384 VanDerWaalsContact C-N 3.32Å; R382-A384 PolarHBondContact O-N 3.12Å; R382-S385 WeakPolarHBondContact CA-OG 3.17Å; R382-S385 PolarHBondContact O-N 3.45Å; R382-S385 PolarHBondContact O-OG 3.01Å; R382-L386 WeakPolarHBondContact O-CB 3.37Å; R382-L386 PolarHBondContact O-N 3.47Å |
| 383 | Q | 84.7 | Confident | 84.3 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 178.1 | -168.5 | 65.2 | 16.4 | 0 | 0 | 111.7 | A379 E380 L386 Q387 | A379-Q383 PolarHBondContact O-N 2.88Å; E380-Q383 PolarHBondContact O-N 3.28Å; Q383-L386 PolarHBondContact O-N 3.01Å; Q383-Q387 WeakPolarHBondContact O-CG 3.46Å; Q383-Q387 PolarHBondContact O-N 3.47Å |
| 384 | A | 84.3 | Confident | 85.1 | Confident | 49 Ų | 49 | 68.1 Ų | 68.1 | 41% | 0.405 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E380 A381 R382 L386 Q387 D388 | E380-A384 PolarHBondContact O-N 3.04Å; A381-A384 PolarHBondContact O-N 3.22Å; R382-A384 VanDerWaalsContact C-N 3.32Å; R382-A384 PolarHBondContact O-N 3.12Å; A384-L386 VanDerWaalsContact C-N 3.28Å; A384-L386 PolarHBondContact O-N 3.41Å; A384-Q387 PolarHBondContact O-N 3.24Å; A384-D388 PolarHBondContact O-N 3.05Å |
| 385 | S | 84.5 | Confident | 85.9 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63 | -34.6 | 177.5 | 73.6 | 0 | 0 | 0 | 0 | 113 | A381 R382 A389 | A381-S385 PolarHBondContact O-N 3.3Å; A381-S385 PolarHBondContact O-OG 3.2Å; R382-S385 WeakPolarHBondContact CA-OG 3.17Å; R382-S385 PolarHBondContact O-N 3.45Å; R382-S385 PolarHBondContact O-OG 3.01Å; S385-A389 WeakPolarHBondContact O-CB 3.29Å; S385-A389 PolarHBondContact O-N 3.47Å |
| 386 | L | 85.4 | Confident | 86.5 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.1 | -43.9 | 175.5 | 175.5 | 69.1 | 0 | 0 | 0 | 111.4 | R382 Q383 A384 A389 T390 F419 E423 L426 | R382-L386 WeakPolarHBondContact O-CB 3.37Å; R382-L386 PolarHBondContact O-N 3.47Å; Q383-L386 PolarHBondContact O-N 3.01Å; A384-L386 VanDerWaalsContact C-N 3.28Å; A384-L386 PolarHBondContact O-N 3.41Å; L386-A389 PolarHBondContact O-N 3Å; L386-T390 VanDerWaalsContact O-CB 3.29Å; L386-T390 WeakPolarHBondContact O-CB 3.22Å; L386-T390 PolarHBondContact O-N 3.11Å; L386-T390 PolarHBondContact O-OG1 2.84Å; L386-F419 HydrophobicContact CD1-CB 4.33Å; L386-E423 HydrophobicContact CD1-CG 4.34Å; L386-E423 HydrophobicContact CD2-CG 3.61Å; L386-L426 HydrophobicContact CD1-CD1 3.84Å |
| 387 | Q | 87.7 | Confident | 87.3 | Confident | 121 Ų | 121 | 51.5 Ų | 51.5 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 176.9 | -74.9 | 176.8 | -7.2 | 0 | 0 | 111.3 | Q383 A384 T390 S391 | Q383-Q387 WeakPolarHBondContact O-CG 3.46Å; Q383-Q387 PolarHBondContact O-N 3.47Å; A384-Q387 PolarHBondContact O-N 3.24Å; Q387-T390 PolarHBondContact O-N 3.49Å; Q387-S391 PolarHBondContact O-N 3.5Å |
| 388 | D | 83.4 | Confident | 87.7 | Confident | 63 Ų | 63 | 48 Ų | 48 | 34% | 0.337 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.6 | -52.1 | 174 | -86.7 | 10.3 | 0 | 0 | 0 | 111.1 | K287 A384 T390 S391 V392 | K287-D388 IonicContact NZ-OD2 3.41Å; K287-D388 PolarHBondContact NZ-OD2 3.43Å; A384-D388 PolarHBondContact O-N 3.05Å; D388-T390 PolarHBondContact O-N 3.28Å; D388-S391 PolarHBondContact O-N 2.88Å; D388-S391 PolarHBondContact O-OG 3.17Å; D388-V392 WeakPolarHBondContact O-CG2 3.47Å; D388-V392 PolarHBondContact O-N 3.43Å |
| 389 | A | 86.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S385 L386 S391 V392 Y393 F419 | S385-A389 WeakPolarHBondContact O-CB 3.29Å; S385-A389 PolarHBondContact O-N 3.47Å; L386-A389 PolarHBondContact O-N 3Å; A389-S391 VanDerWaalsContact C-N 3.33Å; A389-S391 PolarHBondContact O-N 3.23Å; A389-V392 PolarHBondContact O-N 3.16Å; A389-V392 VanDerWaalsContact O-N 3.16Å; A389-Y393 HydrophobicContact CB-CD2 4.3Å; A389-Y393 HydrophobicContact CB-CE2 4.25Å; A389-Y393 WeakPolarHBondContact O-CD2 3.47Å; A389-Y393 PolarHBondContact O-N 3.19Å; A389-F419 HydrophobicContact CB-CB 4.44Å; A389-F419 HydrophobicContact CB-CD1 4.3Å; A389-F419 HydrophobicContact CB-CD2 3.83Å; A389-F419 HydrophobicContact CB-CE1 4.46Å; A389-F419 HydrophobicContact CB-CE2 4.06Å; A389-F419 HydrophobicContact CB-CG 3.97Å; A389-F419 HydrophobicContact CB-CZ 4.37Å |
| 390 | T | 90.2 | Very high | 88.7 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 17% | 0.166 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | -179.9 | -57.2 | 0 | 0 | 0 | 0 | 111 | L386 Q387 D388 V392 Y393 D394 | L386-T390 VanDerWaalsContact O-CB 3.29Å; L386-T390 WeakPolarHBondContact O-CB 3.22Å; L386-T390 PolarHBondContact O-N 3.11Å; L386-T390 PolarHBondContact O-OG1 2.84Å; Q387-T390 PolarHBondContact O-N 3.49Å; D388-T390 PolarHBondContact O-N 3.28Å; T390-V392 VanDerWaalsContact C-N 3.3Å; T390-V392 PolarHBondContact O-N 3.14Å; T390-Y393 PolarHBondContact O-N 2.69Å; T390-D394 WeakPolarHBondContact O-CB 3.46Å; T390-D394 PolarHBondContact O-N 2.76Å |
| 391 | S | 90.1 | Very high | 89 | Confident | 38 Ų | 38 | 35.8 Ų | 35.8 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 178 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | M291 Q387 D388 A389 L395 | M291-S391 PolarHBondContact SD-OG 3.48Å; Q387-S391 PolarHBondContact O-N 3.5Å; D388-S391 PolarHBondContact O-N 2.88Å; D388-S391 PolarHBondContact O-OG 3.17Å; A389-S391 VanDerWaalsContact C-N 3.33Å; A389-S391 PolarHBondContact O-N 3.23Å; S391-L395 WeakPolarHBondContact O-CG 3.32Å; S391-L395 PolarHBondContact O-N 3.46Å |
| 392 | V | 92 | Very high | 89.3 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.9 | -48.5 | 177 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | M291 L359 E363 D388 A389 T390 D394 L395 L396 | M291-V392 HydrophobicContact SD-CG2 4.44Å; L359-V392 HydrophobicContact CD2-CG1 4.28Å; E363-V392 HydrophobicContact CB-CG1 4.24Å; D388-V392 WeakPolarHBondContact O-CG2 3.47Å; D388-V392 PolarHBondContact O-N 3.43Å; A389-V392 PolarHBondContact O-N 3.16Å; A389-V392 VanDerWaalsContact O-N 3.16Å; T390-V392 VanDerWaalsContact C-N 3.3Å; T390-V392 PolarHBondContact O-N 3.14Å; V392-D394 PolarHBondContact O-N 3Å; V392-L395 PolarHBondContact O-N 2.72Å; V392-L396 VanDerWaalsContact O-CB 3.32Å; V392-L396 WeakPolarHBondContact O-CB 3.37Å; V392-L396 PolarHBondContact O-N 3.28Å |
| 393 | Y | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.4 | -29.6 | -177.9 | -71.7 | -65.9 | 0 | 0 | 0 | 113.1 | E363 A389 T390 L396 S397 C412 L413 A416 F419 | E363-Y393 HydrophobicContact CG-CE1 4.1Å; E363-Y393 WeakPolarHBondContact CG-OH 3.44Å; E363-Y393 WeakPolarHBondContact OE1-CE1 3.26Å; E363-Y393 PolarHBondContact OE1-OH 2.95Å; A389-Y393 HydrophobicContact CB-CD2 4.3Å; A389-Y393 HydrophobicContact CB-CE2 4.25Å; A389-Y393 WeakPolarHBondContact O-CD2 3.47Å; A389-Y393 PolarHBondContact O-N 3.19Å; T390-Y393 PolarHBondContact O-N 2.69Å; Y393-L396 PolarHBondContact O-N 3.19Å; Y393-S397 WeakPolarHBondContact O-CB 3.36Å; Y393-S397 PolarHBondContact O-N 3.18Å; Y393-S397 PolarHBondContact O-OG 3.39Å; Y393-C412 HydrophobicContact CE1-CB 4.31Å; Y393-C412 WeakPolarHBondContact CE1-O 3.1Å; Y393-L413 HydrophobicContact CD1-CD2 4.37Å; Y393-L413 HydrophobicContact CG-CD2 4.36Å; Y393-A416 HydrophobicContact CD1-CB 4Å; Y393-A416 HydrophobicContact CD2-CB 3.36Å; Y393-A416 HydrophobicContact CE1-CB 3.86Å; Y393-A416 HydrophobicContact CE2-CB 3.2Å; Y393-A416 HydrophobicContact CG-CB 3.78Å; Y393-A416 VanDerWaalsContact CZ-CB 3.46Å; Y393-F419 HydrophobicContact CE2-CD2 4.26Å; Y393-F419 HydrophobicContact CE2-CE2 4.07Å |
| 394 | D | 93.8 | Very high | 89.8 | Confident | 51 Ų | 51 | 40.3 Ų | 40.3 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.2 | -46.2 | 172.7 | -74.9 | -15.8 | 0 | 0 | 0 | 111.3 | T390 V392 L396 S397 I398 H425 | T390-D394 WeakPolarHBondContact O-CB 3.46Å; T390-D394 PolarHBondContact O-N 2.76Å; V392-D394 PolarHBondContact O-N 3Å; D394-L396 VanDerWaalsContact C-N 3.3Å; D394-L396 PolarHBondContact O-N 3.35Å; D394-S397 WeakPolarHBondContact O-CB 3.41Å; D394-S397 PolarHBondContact O-N 2.94Å; D394-I398 WeakPolarHBondContact O-CG1 3.49Å; D394-I398 PolarHBondContact O-N 2.99Å; D394-H425 IonicContact OD1-CD2 2.88Å; D394-H425 IonicContact OD1-CE1 3.16Å; D394-H425 IonicContact OD1-NE2 3.03Å; D394-H425 PolarHBondContact OD1-NE2 3.17Å; D394-H425 IonicContact OD2-NE2 2.9Å; D394-H425 PolarHBondContact OD2-NE2 3.1Å |
| 395 | L | 93.8 | Very high | 90.2 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -37.1 | 175.1 | -70.4 | 174.3 | 0 | 0 | 0 | 111.8 | M291 Q295 L298 L359 S391 V392 S397 I398 G399 | M291-L395 HydrophobicContact CG-CD1 4.37Å; Q295-L395 HydrophobicContact CB-CD1 4.26Å; L298-L395 HydrophobicContact CD1-CB 4.27Å; L298-L395 HydrophobicContact CD1-CD2 4.26Å; L298-L395 WeakPolarHBondContact CD1-O 3.22Å; L359-L395 HydrophobicContact CD1-CB 3.78Å; L359-L395 HydrophobicContact CD2-CB 3.69Å; L359-L395 HydrophobicContact CD2-CD1 4.02Å; L359-L395 HydrophobicContact CG-CB 4.41Å; S391-L395 WeakPolarHBondContact O-CG 3.32Å; S391-L395 PolarHBondContact O-N 3.46Å; V392-L395 PolarHBondContact O-N 2.72Å; L395-S397 VanDerWaalsContact C-N 3.34Å; L395-I398 PolarHBondContact O-N 3.29Å; L395-G399 PolarHBondContact O-N 3.02Å |
| 396 | L | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 176.6 | -170.1 | 154 | 0 | 0 | 0 | 110.8 | L359 L360 V392 Y393 D394 G399 M400 L409 C412 | L359-L396 HydrophobicContact CD1-CB 4.22Å; L360-L396 HydrophobicContact CD2-CD1 4.24Å; V392-L396 VanDerWaalsContact O-CB 3.32Å; V392-L396 WeakPolarHBondContact O-CB 3.37Å; V392-L396 PolarHBondContact O-N 3.28Å; Y393-L396 PolarHBondContact O-N 3.19Å; D394-L396 VanDerWaalsContact C-N 3.3Å; D394-L396 PolarHBondContact O-N 3.35Å; L396-G399 PolarHBondContact O-N 2.8Å; L396-M400 HydrophobicContact CD1-CE 4.18Å; L396-M400 HydrophobicContact CD2-CE 3.52Å; L396-M400 HydrophobicContact CD2-CG 4.01Å; L396-M400 HydrophobicContact CD2-SD 3.39Å; L396-M400 WeakPolarHBondContact CD2-SD 3.35Å; L396-M400 HydrophobicContact CG-CE 3.83Å; L396-M400 HydrophobicContact CG-CG 4.49Å; L396-M400 HydrophobicContact CG-SD 4.24Å; L396-M400 WeakPolarHBondContact O-CB 3.44Å; L396-M400 WeakPolarHBondContact O-CG 3.27Å; L396-M400 PolarHBondContact O-N 3.48Å; L396-L409 HydrophobicContact CD2-CD1 3.51Å; L396-C412 HydrophobicContact CD1-CB 4.18Å; L396-C412 HydrophobicContact CD2-CB 3.66Å |
| 397 | S | 94.3 | Very high | 91 | Very high | 14 Ų | 14 | 48 Ų | 48 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 172.4 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | Y393 D394 L395 A401 | Y393-S397 WeakPolarHBondContact O-CB 3.36Å; Y393-S397 PolarHBondContact O-N 3.18Å; Y393-S397 PolarHBondContact O-OG 3.39Å; D394-S397 WeakPolarHBondContact O-CB 3.41Å; D394-S397 PolarHBondContact O-N 2.94Å; L395-S397 VanDerWaalsContact C-N 3.34Å; S397-A401 WeakPolarHBondContact O-CB 3.39Å; S397-A401 PolarHBondContact O-N 2.93Å |
| 398 | I | 93.5 | Very high | 91.2 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 41% | 0.405 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 176.4 | -65.4 | 164.9 | 0 | 0 | 0 | 111.2 | L298 D394 L395 R402 | L298-I398 HydrophobicContact CD1-CG2 4.47Å; D394-I398 WeakPolarHBondContact O-CG1 3.49Å; D394-I398 PolarHBondContact O-N 2.99Å; L395-I398 PolarHBondContact O-N 3.29Å; I398-R402 WeakPolarHBondContact O-CG 3.3Å; I398-R402 PolarHBondContact O-N 2.95Å |
| 399 | G | 90.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V352 L395 L396 | V352-G399 WeakPolarHBondContact CG1-O 3.31Å; L395-G399 PolarHBondContact O-N 3.02Å; L396-G399 PolarHBondContact O-N 2.8Å |
| 400 | M | 92 | Very high | 92.1 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.4 | -35.7 | -177.6 | -67.2 | -168.8 | 178.9 | 0 | 0 | 113 | V356 L396 R402 R403 G404 Q405 M408 L409 | V356-M400 HydrophobicContact CG1-CE 4Å; V356-M400 HydrophobicContact CG2-CG 4.4Å; L396-M400 HydrophobicContact CD1-CE 4.18Å; L396-M400 HydrophobicContact CD2-CE 3.52Å; L396-M400 HydrophobicContact CD2-CG 4.01Å; L396-M400 HydrophobicContact CD2-SD 3.39Å; L396-M400 WeakPolarHBondContact CD2-SD 3.35Å; L396-M400 HydrophobicContact CG-CE 3.83Å; L396-M400 HydrophobicContact CG-CG 4.49Å; L396-M400 HydrophobicContact CG-SD 4.24Å; L396-M400 WeakPolarHBondContact O-CB 3.44Å; L396-M400 WeakPolarHBondContact O-CG 3.27Å; L396-M400 PolarHBondContact O-N 3.48Å; M400-R402 VanDerWaalsContact C-N 3.31Å; M400-R402 PolarHBondContact O-N 3.19Å; M400-R403 PolarHBondContact O-N 2.87Å; M400-R403 VanDerWaalsContact O-N 3.14Å; M400-G404 PolarHBondContact O-N 3.46Å; M400-Q405 HydrophobicContact CB-CB 4.48Å; M400-Q405 PolarHBondContact O-N 3.49Å; M400-M408 HydrophobicContact CE-CE 3.88Å; M400-M408 HydrophobicContact CE-CG 3.8Å; M400-M408 HydrophobicContact CE-SD 3.68Å; M400-M408 HydrophobicContact SD-CB 4.13Å; M400-M408 HydrophobicContact SD-CG 4.01Å; M400-M408 HydrophobicContact SD-SD 4.35Å; M400-L409 HydrophobicContact CB-CB 4.09Å; M400-L409 HydrophobicContact CB-CD1 4.49Å; M400-L409 VanDerWaalsContact SD-CA 3.56Å; M400-L409 HydrophobicContact SD-CB 3.89Å; M400-L409 HydrophobicContact SD-CD1 4.32Å; M400-L409 PolarHBondContact SD-N 2.98Å |
| 401 | A | 91.4 | Very high | 92.2 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.2 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S397 R403 G404 Y406 | S397-A401 WeakPolarHBondContact O-CB 3.39Å; S397-A401 PolarHBondContact O-N 2.93Å; A401-R403 PolarHBondContact O-N 3Å; A401-G404 PolarHBondContact O-N 3.24Å; A401-Y406 HydrophobicContact CB-CE1 4.06Å |
| 402 | R | 88 | Confident | 92.3 | Very high | 144 Ų | 144 | 45.6 Ų | 45.6 | 54% | 0.543 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.6 | -27.4 | 175.2 | -75.8 | 178.4 | -178.9 | -177.4 | 4.2 | 113.5 | L298 I398 M400 | L298-R402 VanDerWaalsContact O-CZ 3.29Å; L298-R402 PolarHBondContact O-NH1 3.43Å; L298-R402 PolarHBondContact O-NH2 2.73Å; I398-R402 WeakPolarHBondContact O-CG 3.3Å; I398-R402 PolarHBondContact O-N 2.95Å; M400-R402 VanDerWaalsContact C-N 3.31Å; M400-R402 PolarHBondContact O-N 3.19Å |
| 403 | R | 87.8 | Confident | 92.3 | Very high | 117 Ų | 117 | 45.6 Ų | 45.6 | 44% | 0.442 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 4.3 | 176.9 | -68.5 | -70.9 | 173.8 | 137.1 | -2.1 | 113.3 | E303 D350 V352 M400 A401 Q405 | E303-R403 IonicContact OE1-NH2 3.31Å; D350-R403 IonicContact OD2-CZ 3.74Å; D350-R403 VanDerWaalsContact OD2-CZ 3.28Å; D350-R403 IonicContact OD2-NH1 3.84Å; D350-R403 PolarHBondContact OD2-NH1 2.88Å; D350-R403 IonicContact OD2-NH2 2.74Å; D350-R403 PolarHBondContact OD2-NH2 3.43Å; V352-R403 HydrophobicContact CB-CG 4.32Å; V352-R403 HydrophobicContact CG1-CG 3.79Å; V352-R403 HydrophobicContact CG2-CG 4.37Å; M400-R403 PolarHBondContact O-N 2.87Å; M400-R403 VanDerWaalsContact O-N 3.14Å; A401-R403 PolarHBondContact O-N 3Å; R403-Q405 HydrophobicContact CB-CG 3.95Å; R403-Q405 PolarHBondContact O-N 3.32Å |
| 404 | G | 89.8 | Confident | 92.3 | Very high | 38 Ų | 38 | 50 Ų | 50 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 19.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M400 A401 Y406 | M400-G404 PolarHBondContact O-N 3.46Å; A401-G404 PolarHBondContact O-N 3.24Å; G404-Y406 VanDerWaalsContact O-CD2 3.32Å; G404-Y406 WeakPolarHBondContact O-CD2 3.39Å; G404-Y406 PolarHBondContact O-N 2.99Å |
| 405 | Q | 92.3 | Very high | 92 | Very high | 108 Ų | 108 | 52.8 Ų | 52.8 | 51% | 0.505 | 26% | 0.258 | S | S | . | . | trans | -85.8 | 60.1 | -175.6 | -66.7 | -61.6 | -31.2 | 0 | 0 | 111.6 | M400 R403 A407 L409 | M400-Q405 HydrophobicContact CB-CB 4.48Å; M400-Q405 PolarHBondContact O-N 3.49Å; R403-Q405 HydrophobicContact CB-CG 3.95Å; R403-Q405 PolarHBondContact O-N 3.32Å; Q405-A407 VanDerWaalsContact C-N 3.34Å; Q405-A407 PolarHBondContact O-N 3.49Å; Q405-L409 PolarHBondContact O-N 2.96Å | ||
| 406 | Y | 94.1 | Very high | 91.8 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.7 | -27.6 | -175.1 | -56.3 | -66.4 | 0 | 0 | 0 | 113.5 | A401 G404 L409 S410 A436 | A401-Y406 HydrophobicContact CB-CE1 4.06Å; G404-Y406 VanDerWaalsContact O-CD2 3.32Å; G404-Y406 WeakPolarHBondContact O-CD2 3.39Å; G404-Y406 PolarHBondContact O-N 2.99Å; Y406-L409 HydrophobicContact CD1-CD2 4.45Å; Y406-L409 PolarHBondContact O-N 3.48Å; Y406-S410 PolarHBondContact O-N 3.43Å; Y406-A436 HydrophobicContact CD1-CB 3.63Å; Y406-A436 HydrophobicContact CD2-CB 3.78Å; Y406-A436 HydrophobicContact CE1-CB 4.06Å; Y406-A436 HydrophobicContact CE2-CB 4.2Å; Y406-A436 HydrophobicContact CG-CB 3.47Å; Y406-A436 VanDerWaalsContact CG-CB 3.47Å |
| 407 | A | 92.6 | Very high | 91.5 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 41% | 0.405 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63 | -52.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q405 L409 S410 E411 | Q405-A407 VanDerWaalsContact C-N 3.34Å; Q405-A407 PolarHBondContact O-N 3.49Å; A407-L409 VanDerWaalsContact C-N 3.31Å; A407-L409 PolarHBondContact O-N 3.49Å; A407-S410 PolarHBondContact O-N 2.9Å; A407-S410 PolarHBondContact O-OG 3.01Å; A407-E411 PolarHBondContact O-N 3.21Å |
| 408 | M | 91.8 | Very high | 91 | Very high | 80 Ų | 80 | 57.1 Ų | 57.1 | 39% | 0.394 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 176 | -170.7 | 179.6 | -175.8 | 0 | 0 | 111.6 | L360 M400 S410 E411 C412 | L360-M408 HydrophobicContact CD1-CE 4.28Å; M400-M408 HydrophobicContact CE-CE 3.88Å; M400-M408 HydrophobicContact CE-CG 3.8Å; M400-M408 HydrophobicContact CE-SD 3.68Å; M400-M408 HydrophobicContact SD-CB 4.13Å; M400-M408 HydrophobicContact SD-CG 4.01Å; M400-M408 HydrophobicContact SD-SD 4.35Å; M408-S410 VanDerWaalsContact C-N 3.34Å; M408-S410 PolarHBondContact O-N 3.41Å; M408-E411 PolarHBondContact O-N 3.32Å; M408-C412 PolarHBondContact O-N 2.91Å; M408-C412 PolarHBondContact O-SG 3.41Å |
| 409 | L | 94.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.8 | 178.1 | 57.8 | 0 | 0 | 0 | 111.9 | L396 M400 Q405 Y406 A407 E411 C412 L413 | L396-L409 HydrophobicContact CD2-CD1 3.51Å; M400-L409 HydrophobicContact CB-CB 4.09Å; M400-L409 HydrophobicContact CB-CD1 4.49Å; M400-L409 VanDerWaalsContact SD-CA 3.56Å; M400-L409 HydrophobicContact SD-CB 3.89Å; M400-L409 HydrophobicContact SD-CD1 4.32Å; M400-L409 PolarHBondContact SD-N 2.98Å; Q405-L409 PolarHBondContact O-N 2.96Å; Y406-L409 HydrophobicContact CD1-CD2 4.45Å; Y406-L409 PolarHBondContact O-N 3.48Å; A407-L409 VanDerWaalsContact C-N 3.31Å; A407-L409 PolarHBondContact O-N 3.49Å; L409-E411 VanDerWaalsContact C-N 3.29Å; L409-E411 PolarHBondContact O-N 2.94Å; L409-C412 PolarHBondContact O-N 3.41Å; L409-C412 VanDerWaalsContact O-N 3.17Å; L409-L413 HydrophobicContact CD1-CD1 3.91Å; L409-L413 HydrophobicContact CD1-CG 4.09Å; L409-L413 HydrophobicContact CG-CD1 3.94Å; L409-L413 PolarHBondContact O-N 3.29Å |
| 410 | S | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 178 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | Y406 A407 M408 L413 E414 S433 K439 | Y406-S410 PolarHBondContact O-N 3.43Å; A407-S410 PolarHBondContact O-N 2.9Å; A407-S410 PolarHBondContact O-OG 3.01Å; M408-S410 VanDerWaalsContact C-N 3.34Å; M408-S410 PolarHBondContact O-N 3.41Å; S410-L413 PolarHBondContact O-N 3.17Å; S410-E414 WeakPolarHBondContact O-CB 3.37Å; S410-E414 VanDerWaalsContact O-CG 3.29Å; S410-E414 WeakPolarHBondContact O-CG 3.4Å; S410-E414 PolarHBondContact O-N 3.11Å; S410-S433 WeakPolarHBondContact CA-OG 3.19Å; S410-K439 PolarHBondContact OG-NZ 3.49Å |
| 411 | E | 92.8 | Very high | 88.9 | Confident | 107 Ų | 107 | 62.3 Ų | 62.3 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.5 | -35.4 | 177.4 | -66.6 | 174.4 | -171.3 | 0 | 0 | 112.3 | A407 M408 L409 R415 | A407-E411 PolarHBondContact O-N 3.21Å; M408-E411 PolarHBondContact O-N 3.32Å; L409-E411 VanDerWaalsContact C-N 3.29Å; L409-E411 PolarHBondContact O-N 2.94Å; E411-R415 WeakPolarHBondContact O-CG 3.29Å; E411-R415 PolarHBondContact O-N 3.39Å; E411-R415 VanDerWaalsContact O-N 3.17Å |
| 412 | C | 91.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -45 | 173.7 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | Y393 L396 M408 L409 R415 A416 | Y393-C412 HydrophobicContact CE1-CB 4.31Å; Y393-C412 WeakPolarHBondContact CE1-O 3.1Å; L396-C412 HydrophobicContact CD1-CB 4.18Å; L396-C412 HydrophobicContact CD2-CB 3.66Å; M408-C412 PolarHBondContact O-N 2.91Å; M408-C412 PolarHBondContact O-SG 3.41Å; L409-C412 PolarHBondContact O-N 3.41Å; L409-C412 VanDerWaalsContact O-N 3.17Å; C412-R415 WeakPolarHBondContact O-CB 3.5Å; C412-R415 PolarHBondContact O-N 3.43Å; C412-R415 PolarHBondContact SG-NH2 3.35Å; C412-A416 PolarHBondContact O-N 2.97Å; C412-A416 VanDerWaalsContact O-N 3.09Å |
| 413 | L | 92.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.1 | -32.8 | 178.1 | -70.6 | 170.5 | 0 | 0 | 0 | 112.4 | Y393 L409 S410 R415 A416 M417 Q429 L430 | Y393-L413 HydrophobicContact CD1-CD2 4.37Å; Y393-L413 HydrophobicContact CG-CD2 4.36Å; L409-L413 HydrophobicContact CD1-CD1 3.91Å; L409-L413 HydrophobicContact CD1-CG 4.09Å; L409-L413 HydrophobicContact CG-CD1 3.94Å; L409-L413 PolarHBondContact O-N 3.29Å; S410-L413 PolarHBondContact O-N 3.17Å; L413-R415 VanDerWaalsContact C-N 3.31Å; L413-R415 PolarHBondContact O-N 2.93Å; L413-A416 WeakPolarHBondContact O-CA 3.49Å; L413-A416 WeakPolarHBondContact O-CB 3.43Å; L413-A416 PolarHBondContact O-N 3.26Å; L413-M417 WeakPolarHBondContact O-CG 3.15Å; L413-M417 PolarHBondContact O-N 3.3Å; L413-Q429 HydrophobicContact CD1-CB 4.09Å; L413-Q429 HydrophobicContact CD2-CB 4.41Å; L413-L430 HydrophobicContact CB-CB 4.23Å; L413-L430 HydrophobicContact CB-CD1 3.83Å |
| 414 | E | 91.7 | Very high | 88.4 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 169.9 | -78.1 | 173.5 | -166.9 | 0 | 0 | 111.3 | S410 A416 M417 L430 | S410-E414 WeakPolarHBondContact O-CB 3.37Å; S410-E414 VanDerWaalsContact O-CG 3.29Å; S410-E414 WeakPolarHBondContact O-CG 3.4Å; S410-E414 PolarHBondContact O-N 3.11Å; E414-A416 VanDerWaalsContact C-N 3.25Å; E414-A416 PolarHBondContact O-N 2.9Å; E414-M417 WeakPolarHBondContact O-CB 3.38Å; E414-M417 WeakPolarHBondContact O-CG 3.34Å; E414-M417 PolarHBondContact O-N 3.16Å; E414-M417 VanDerWaalsContact O-N 3.16Å; E414-L430 HydrophobicContact CG-CD1 3.82Å; E414-L430 HydrophobicContact CG-CD2 4.43Å |
| 415 | R | 89 | Confident | 88.6 | Confident | 108 Ų | 108 | 59 Ų | 59 | 41% | 0.408 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -29.4 | 173 | -68.8 | -177.7 | -66.5 | 137.7 | 6.3 | 112.3 | E363 E411 C412 L413 M417 K418 | E363-R415 IonicContact OE1-CZ 2.99Å; E363-R415 IonicContact OE1-NE 3.16Å; E363-R415 IonicContact OE1-NH1 3.43Å; E363-R415 PolarHBondContact OE1-NH1 2.99Å; E363-R415 IonicContact OE1-NH2 3.71Å; E363-R415 PolarHBondContact OE1-NH2 2.59Å; E363-R415 IonicContact OE2-CZ 3.7Å; E363-R415 IonicContact OE2-NH1 3.47Å; E363-R415 PolarHBondContact OE2-NH1 3.46Å; E363-R415 IonicContact OE2-NH2 3.79Å; E363-R415 PolarHBondContact OE2-NH2 3.47Å; E411-R415 WeakPolarHBondContact O-CG 3.29Å; E411-R415 PolarHBondContact O-N 3.39Å; E411-R415 VanDerWaalsContact O-N 3.17Å; C412-R415 WeakPolarHBondContact O-CB 3.5Å; C412-R415 PolarHBondContact O-N 3.43Å; C412-R415 PolarHBondContact SG-NH2 3.35Å; L413-R415 VanDerWaalsContact C-N 3.31Å; L413-R415 PolarHBondContact O-N 2.93Å; R415-M417 PolarHBondContact O-N 3.4Å; R415-K418 WeakPolarHBondContact O-CD 3.19Å; R415-K418 WeakPolarHBondContact O-CE 3.45Å; R415-K418 WeakPolarHBondContact O-CG 3.39Å |
| 416 | A | 88.5 | Confident | 88.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.7 | -22.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y393 C412 L413 E414 K418 F419 | Y393-A416 HydrophobicContact CD1-CB 4Å; Y393-A416 HydrophobicContact CD2-CB 3.36Å; Y393-A416 HydrophobicContact CE1-CB 3.86Å; Y393-A416 HydrophobicContact CE2-CB 3.2Å; Y393-A416 HydrophobicContact CG-CB 3.78Å; Y393-A416 VanDerWaalsContact CZ-CB 3.46Å; C412-A416 PolarHBondContact O-N 2.97Å; C412-A416 VanDerWaalsContact O-N 3.09Å; L413-A416 WeakPolarHBondContact O-CA 3.49Å; L413-A416 WeakPolarHBondContact O-CB 3.43Å; L413-A416 PolarHBondContact O-N 3.26Å; E414-A416 VanDerWaalsContact C-N 3.25Å; E414-A416 PolarHBondContact O-N 2.9Å; A416-K418 PolarHBondContact O-N 3.06Å; A416-F419 WeakPolarHBondContact O-CB 3.42Å; A416-F419 VanDerWaalsContact O-CD2 3.28Å; A416-F419 WeakPolarHBondContact O-CD2 3.48Å; A416-F419 PolarHBondContact O-N 3.45Å |
| 417 | M | 87.6 | Confident | 88.5 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.3 | -175.6 | -58.7 | -54.2 | -74.4 | 0 | 0 | 113.9 | L413 E414 R415 F419 S420 W427 L430 | L413-M417 WeakPolarHBondContact O-CG 3.15Å; L413-M417 PolarHBondContact O-N 3.3Å; E414-M417 WeakPolarHBondContact O-CB 3.38Å; E414-M417 WeakPolarHBondContact O-CG 3.34Å; E414-M417 PolarHBondContact O-N 3.16Å; E414-M417 VanDerWaalsContact O-N 3.16Å; R415-M417 PolarHBondContact O-N 3.4Å; M417-F419 PolarHBondContact O-N 3.05Å; M417-S420 WeakPolarHBondContact CA-OG 3.38Å; M417-S420 WeakPolarHBondContact CE-OG 3.4Å; M417-S420 PolarHBondContact O-N 2.92Å; M417-S420 PolarHBondContact O-OG 3.36Å; M417-W427 HydrophobicContact CE-CD2 3.37Å; M417-W427 HydrophobicContact CE-CE3 4.01Å; M417-W427 HydrophobicContact CE-CG 3.65Å; M417-W427 HydrophobicContact CE-CH2 4.07Å; M417-W427 HydrophobicContact CE-CZ2 3.48Å; M417-W427 VanDerWaalsContact CE-CZ2 3.48Å; M417-W427 HydrophobicContact CE-CZ3 4.31Å; M417-W427 VanDerWaalsContact CE-NE1 3.25Å; M417-L430 HydrophobicContact CE-CD2 4.15Å; M417-L430 HydrophobicContact CG-CD2 3.81Å; M417-L430 HydrophobicContact SD-CD2 3.78Å |
| 418 | K | 84.6 | Confident | 88.6 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -22.9 | 171.5 | 68.3 | -162.3 | 171.8 | -175.9 | 0 | 113.4 | R415 A416 | R415-K418 WeakPolarHBondContact O-CD 3.19Å; R415-K418 WeakPolarHBondContact O-CE 3.45Å; R415-K418 WeakPolarHBondContact O-CG 3.39Å; A416-K418 PolarHBondContact O-N 3.06Å |
| 419 | F | 78.5 | Confident | 88.8 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 9% | 0.088 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -22.5 | 178.4 | -55.3 | -78.5 | 0 | 0 | 0 | 112.9 | A370 L386 A389 Y393 A416 M417 | A370-F419 HydrophobicContact CB-CD1 4.21Å; A370-F419 HydrophobicContact CB-CE1 3.41Å; A370-F419 VanDerWaalsContact CB-CE1 3.41Å; A370-F419 HydrophobicContact CB-CZ 4.21Å; L386-F419 HydrophobicContact CD1-CB 4.33Å; A389-F419 HydrophobicContact CB-CB 4.44Å; A389-F419 HydrophobicContact CB-CD1 4.3Å; A389-F419 HydrophobicContact CB-CD2 3.83Å; A389-F419 HydrophobicContact CB-CE1 4.46Å; A389-F419 HydrophobicContact CB-CE2 4.06Å; A389-F419 HydrophobicContact CB-CG 3.97Å; A389-F419 HydrophobicContact CB-CZ 4.37Å; Y393-F419 HydrophobicContact CE2-CD2 4.26Å; Y393-F419 HydrophobicContact CE2-CE2 4.07Å; A416-F419 WeakPolarHBondContact O-CB 3.42Å; A416-F419 VanDerWaalsContact O-CD2 3.28Å; A416-F419 WeakPolarHBondContact O-CD2 3.48Å; A416-F419 PolarHBondContact O-N 3.45Å; M417-F419 PolarHBondContact O-N 3.05Å |
| 420 | S | 77.4 | Confident | 88.8 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | trans | -88.8 | 125.4 | -172.1 | 66 | 0 | 0 | 0 | 0 | 111.6 | M417 | M417-S420 WeakPolarHBondContact CA-OG 3.38Å; M417-S420 WeakPolarHBondContact CE-OG 3.4Å; M417-S420 PolarHBondContact O-N 2.92Å; M417-S420 PolarHBondContact O-OG 3.36Å | ||
| 421 | Y | 76 | Confident | 88.8 | Confident | 156 Ų | 156 | 51.3 Ų | 51.3 | 61% | 0.612 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -130.7 | 112.7 | 165 | -179.4 | -98.8 | 0 | 0 | 0 | 107.9 | E423 | Y421-E423 PolarHBondContact O-N 2.86Š|
| 422 | D | 77.8 | Confident | 88.9 | Confident | 110 Ų | 110 | 49.1 Ų | 49.1 | 59% | 0.588 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 57.4 | 25.9 | -178.1 | -148.8 | 25.5 | 0 | 0 | 0 | 114.5 | M453 | D422-M453 WeakPolarHBondContact OD1-CG 3.4Š|
| 423 | E | 88.1 | Confident | 89.1 | Confident | 67 Ų | 67 | 49.2 Ų | 49.2 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | trans | -97.4 | 104.4 | -178.1 | -79.9 | -66.7 | 165.9 | 0 | 0 | 111.7 | L386 Y421 H425 W427 | L386-E423 HydrophobicContact CD1-CG 4.34Å; L386-E423 HydrophobicContact CD2-CG 3.61Å; Y421-E423 PolarHBondContact O-N 2.86Å; E423-H425 VanDerWaalsContact C-N 3.34Å; E423-H425 PolarHBondContact O-N 3.48Å; E423-W427 VanDerWaalsContact O-CD1 3.26Å | ||
| 424 | F | 91.6 | Very high | 89.3 | Confident | 25 Ų | 25 | 49.4 Ų | 49.4 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.8 | -42.2 | -173.9 | 175.2 | -97 | 0 | 0 | 0 | 114 | L426 W427 H428 C450 M453 R454 L460 | F424-L426 PolarHBondContact O-N 3.36Å; F424-W427 PolarHBondContact O-N 3.45Å; F424-H428 HydrophobicContact CD1-CB 4.38Å; F424-H428 HydrophobicContact CE1-CB 3.96Å; F424-H428 HydrophobicContact CE2-CB 4.49Å; F424-H428 HydrophobicContact CZ-CB 4.03Å; F424-H428 VanDerWaalsContact O-CB 3.31Å; F424-H428 WeakPolarHBondContact O-CB 3.44Å; F424-H428 PolarHBondContact O-N 3.27Å; F424-C450 HydrophobicContact CD2-CB 4.49Å; F424-C450 HydrophobicContact CE2-CB 4.03Å; F424-M453 HydrophobicContact CD2-CB 4.45Å; F424-M453 HydrophobicContact CD2-CE 4.44Å; F424-R454 HydrophobicContact CD2-CB 4.37Å; F424-R454 HydrophobicContact CD2-CG 3.78Å; F424-R454 HydrophobicContact CE2-CB 4.19Å; F424-R454 HydrophobicContact CE2-CG 3.99Å; F424-R454 HydrophobicContact CG-CG 4.25Å; F424-L460 HydrophobicContact CE2-CD1 3.63Å; F424-L460 HydrophobicContact CE2-CD2 4.47Å; F424-L460 HydrophobicContact CZ-CD1 4.01Å; F424-L460 HydrophobicContact CZ-CD2 4.29Å |
| 425 | H | 92.8 | Very high | 89.4 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.7 | -50.9 | -170.6 | 176.4 | 67.1 | 0 | 0 | 0 | 112.6 | D394 E423 W427 H428 Q429 | D394-H425 IonicContact OD1-CD2 2.88Å; D394-H425 IonicContact OD1-CE1 3.16Å; D394-H425 IonicContact OD1-NE2 3.03Å; D394-H425 PolarHBondContact OD1-NE2 3.17Å; D394-H425 IonicContact OD2-NE2 2.9Å; D394-H425 PolarHBondContact OD2-NE2 3.1Å; E423-H425 VanDerWaalsContact C-N 3.34Å; E423-H425 PolarHBondContact O-N 3.48Å; H425-W427 PolarHBondContact O-N 3.21Å; H425-H428 PolarHBondContact O-N 3.32Å; H425-Q429 WeakPolarHBondContact O-CG 3.37Å; H425-Q429 PolarHBondContact O-N 2.87Å |
| 426 | L | 91.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | -179.1 | -71.5 | 173.9 | 0 | 0 | 0 | 112.3 | L386 F424 H428 Q429 L430 | L386-L426 HydrophobicContact CD1-CD1 3.84Å; F424-L426 PolarHBondContact O-N 3.36Å; L426-H428 VanDerWaalsContact C-N 3.33Å; L426-H428 PolarHBondContact O-N 2.97Å; L426-Q429 PolarHBondContact O-N 3.48Å; L426-L430 WeakPolarHBondContact O-CB 3.33Å; L426-L430 PolarHBondContact O-N 3.21Å |
| 427 | W | 93.7 | Very high | 89.8 | Confident | 66 Ų | 66 | 45.7 Ų | 45.7 | 25% | 0.25 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 174.1 | -81.3 | 84.1 | 0 | 0 | 0 | 111.6 | M417 E423 F424 H425 L430 G431 V446 E449 C450 M453 | M417-W427 HydrophobicContact CE-CD2 3.37Å; M417-W427 HydrophobicContact CE-CE3 4.01Å; M417-W427 HydrophobicContact CE-CG 3.65Å; M417-W427 HydrophobicContact CE-CH2 4.07Å; M417-W427 HydrophobicContact CE-CZ2 3.48Å; M417-W427 VanDerWaalsContact CE-CZ2 3.48Å; M417-W427 HydrophobicContact CE-CZ3 4.31Å; M417-W427 VanDerWaalsContact CE-NE1 3.25Å; E423-W427 VanDerWaalsContact O-CD1 3.26Å; F424-W427 PolarHBondContact O-N 3.45Å; H425-W427 PolarHBondContact O-N 3.21Å; W427-L430 PolarHBondContact O-N 3.43Å; W427-G431 PolarHBondContact O-N 3.17Å; W427-V446 HydrophobicContact CE3-CG1 3.97Å; W427-V446 HydrophobicContact CZ3-CG2 4.37Å; W427-V446 WeakPolarHBondContact O-CG1 3.35Å; W427-E449 HydrophobicContact CE3-CB 3.77Å; W427-E449 HydrophobicContact CE3-CG 4.42Å; W427-E449 HydrophobicContact CH2-CB 4.48Å; W427-E449 HydrophobicContact CH2-CG 4.36Å; W427-E449 HydrophobicContact CZ3-CB 3.7Å; W427-E449 HydrophobicContact CZ3-CG 3.84Å; W427-C450 VanDerWaalsContact C-SG 3.52Å; W427-M453 HydrophobicContact CB-CE 3.59Å; W427-M453 HydrophobicContact CD2-CE 4.16Å; W427-M453 HydrophobicContact CG-CE 3.61Å |
| 428 | H | 94.6 | Very high | 90 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -47.1 | 178.6 | -174.5 | 64.8 | 0 | 0 | 0 | 111.8 | F424 H425 L426 L430 G431 L432 L460 | F424-H428 HydrophobicContact CD1-CB 4.38Å; F424-H428 HydrophobicContact CE1-CB 3.96Å; F424-H428 HydrophobicContact CE2-CB 4.49Å; F424-H428 HydrophobicContact CZ-CB 4.03Å; F424-H428 VanDerWaalsContact O-CB 3.31Å; F424-H428 WeakPolarHBondContact O-CB 3.44Å; F424-H428 PolarHBondContact O-N 3.27Å; H425-H428 PolarHBondContact O-N 3.32Å; L426-H428 VanDerWaalsContact C-N 3.33Å; L426-H428 PolarHBondContact O-N 2.97Å; H428-L430 VanDerWaalsContact C-N 3.31Å; H428-L430 PolarHBondContact O-N 3.2Å; H428-G431 PolarHBondContact O-N 2.86Å; H428-L432 WeakPolarHBondContact O-CG 3.28Å; H428-L432 PolarHBondContact O-N 3.33Å; H428-L460 WeakPolarHBondContact ND1-CD2 3.37Å |
| 429 | Q | 94.5 | Very high | 90.4 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 175.4 | -63.7 | -51.2 | -35.5 | 0 | 0 | 111.8 | L413 H425 L426 G431 L432 S433 | L413-Q429 HydrophobicContact CD1-CB 4.09Å; L413-Q429 HydrophobicContact CD2-CB 4.41Å; H425-Q429 WeakPolarHBondContact O-CG 3.37Å; H425-Q429 PolarHBondContact O-N 2.87Å; L426-Q429 PolarHBondContact O-N 3.48Å; Q429-G431 PolarHBondContact O-N 3.26Å; Q429-L432 PolarHBondContact O-N 3.08Å; Q429-S433 WeakPolarHBondContact O-CB 3.48Å; Q429-S433 PolarHBondContact O-N 3.49Å; Q429-S433 PolarHBondContact O-OG 3.43Å |
| 430 | L | 95 | Very high | 91.2 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 175.1 | 177.3 | 60.2 | 0 | 0 | 0 | 111.1 | L413 E414 M417 L426 W427 H428 L432 S433 L434 V446 | L413-L430 HydrophobicContact CB-CB 4.23Å; L413-L430 HydrophobicContact CB-CD1 3.83Å; E414-L430 HydrophobicContact CG-CD1 3.82Å; E414-L430 HydrophobicContact CG-CD2 4.43Å; M417-L430 HydrophobicContact CE-CD2 4.15Å; M417-L430 HydrophobicContact CG-CD2 3.81Å; M417-L430 HydrophobicContact SD-CD2 3.78Å; L426-L430 WeakPolarHBondContact O-CB 3.33Å; L426-L430 PolarHBondContact O-N 3.21Å; W427-L430 PolarHBondContact O-N 3.43Å; H428-L430 VanDerWaalsContact C-N 3.31Å; H428-L430 PolarHBondContact O-N 3.2Å; L430-L432 PolarHBondContact O-N 3.03Å; L430-S433 PolarHBondContact O-N 2.91Å; L430-S433 PolarHBondContact O-OG 3.09Å; L430-L434 HydrophobicContact CD1-CD1 3.97Å; L430-L434 HydrophobicContact CD1-CG 3.97Å; L430-L434 HydrophobicContact CG-CD1 3.92Å; L430-L434 HydrophobicContact CG-CG 4.36Å; L430-L434 WeakPolarHBondContact O-CB 3.46Å; L430-L434 WeakPolarHBondContact O-CG 3.47Å; L430-L434 PolarHBondContact O-N 3.2Å; L430-V446 HydrophobicContact CB-CG1 4.45Å; L430-V446 HydrophobicContact CD2-CG2 4.23Å; L430-V446 HydrophobicContact CG-CG1 4.41Å; L430-V446 HydrophobicContact CG-CG2 4.46Å |
| 431 | G | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | W427 H428 Q429 M435 | W427-G431 PolarHBondContact O-N 3.17Å; H428-G431 PolarHBondContact O-N 2.86Å; Q429-G431 PolarHBondContact O-N 3.26Å; G431-M435 WeakPolarHBondContact O-CB 3.35Å; G431-M435 PolarHBondContact O-N 3.31Å |
| 432 | L | 95.3 | Very high | 92.9 | Very high | 61 Ų | 61 | 44 Ų | 44 | 32% | 0.319 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66 | -42.1 | 175.5 | -66.1 | 179.9 | 0 | 0 | 0 | 112.1 | H428 Q429 L430 M435 A436 L463 | H428-L432 WeakPolarHBondContact O-CG 3.28Å; H428-L432 PolarHBondContact O-N 3.33Å; Q429-L432 PolarHBondContact O-N 3.08Å; L430-L432 PolarHBondContact O-N 3.03Å; L432-M435 PolarHBondContact O-N 2.65Å; L432-A436 WeakPolarHBondContact O-CB 2.88Å; L432-A436 PolarHBondContact O-N 3.26Å; L432-L463 HydrophobicContact CD2-CD1 4.21Å |
| 433 | S | 95.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | 177.9 | 75.5 | 0 | 0 | 0 | 0 | 112.3 | S410 Q429 L430 A436 A437 | S410-S433 WeakPolarHBondContact CA-OG 3.19Å; Q429-S433 WeakPolarHBondContact O-CB 3.48Å; Q429-S433 PolarHBondContact O-N 3.49Å; Q429-S433 PolarHBondContact O-OG 3.43Å; L430-S433 PolarHBondContact O-N 2.91Å; L430-S433 PolarHBondContact O-OG 3.09Å; S433-A436 PolarHBondContact O-N 3.45Å; S433-A437 VanDerWaalsContact O-CB 3.22Å; S433-A437 WeakPolarHBondContact O-CB 3.47Å; S433-A437 PolarHBondContact O-N 3.44Å |
| 434 | L | 95.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66 | -40.2 | 175.8 | -72 | 170.9 | 0 | 0 | 0 | 111.4 | L430 A437 G438 K439 A443 V446 | L430-L434 HydrophobicContact CD1-CD1 3.97Å; L430-L434 HydrophobicContact CD1-CG 3.97Å; L430-L434 HydrophobicContact CG-CD1 3.92Å; L430-L434 HydrophobicContact CG-CG 4.36Å; L430-L434 WeakPolarHBondContact O-CB 3.46Å; L430-L434 WeakPolarHBondContact O-CG 3.47Å; L430-L434 PolarHBondContact O-N 3.2Å; L434-A437 PolarHBondContact O-N 3.24Å; L434-G438 PolarHBondContact O-N 3.33Å; L434-K439 HydrophobicContact CB-CB 4.38Å; L434-K439 HydrophobicContact CD2-CB 3.85Å; L434-K439 HydrophobicContact CD2-CD 3.57Å; L434-K439 HydrophobicContact CD2-CG 4.35Å; L434-K439 PolarHBondContact O-N 2.79Å; L434-A443 HydrophobicContact CB-CB 3.85Å; L434-V446 HydrophobicContact CD1-CB 4.48Å; L434-V446 HydrophobicContact CD1-CG2 3.85Å |
| 435 | M | 94.8 | Very high | 94.3 | Very high | 40 Ų | 40 | 37.5 Ų | 37.5 | 20% | 0.197 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 174.2 | -178.9 | 178.3 | 176.1 | 0 | 0 | 111 | G431 L432 A437 G438 W440 A443 L463 K466 I467 | G431-M435 WeakPolarHBondContact O-CB 3.35Å; G431-M435 PolarHBondContact O-N 3.31Å; L432-M435 PolarHBondContact O-N 2.65Å; M435-A437 VanDerWaalsContact C-N 3.34Å; M435-A437 PolarHBondContact O-N 3.13Å; M435-G438 PolarHBondContact O-N 3.14Å; M435-W440 HydrophobicContact CG-CZ3 4.46Å; M435-W440 VanDerWaalsContact O-CZ3 3.22Å; M435-W440 WeakPolarHBondContact O-CZ3 3.22Å; M435-A443 HydrophobicContact CB-CB 4.14Å; M435-L463 HydrophobicContact CE-CD2 4.43Å; M435-L463 HydrophobicContact SD-CD2 4.39Å; M435-K466 HydrophobicContact CE-CD 4.42Å; M435-I467 HydrophobicContact CB-CD1 4.19Å; M435-I467 HydrophobicContact CE-CG1 4.26Å; M435-I467 HydrophobicContact CG-CD1 3.81Å; M435-I467 HydrophobicContact CG-CG1 4.28Å; M435-I467 HydrophobicContact SD-CD1 3.96Å; M435-I467 HydrophobicContact SD-CG1 4.32Å |
| 436 | A | 93.1 | Very high | 94.4 | Very high | 52 Ų | 52 | 35 Ų | 35 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.1 | -29.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y406 L432 S433 G438 | Y406-A436 HydrophobicContact CD1-CB 3.63Å; Y406-A436 HydrophobicContact CD2-CB 3.78Å; Y406-A436 HydrophobicContact CE1-CB 4.06Å; Y406-A436 HydrophobicContact CE2-CB 4.2Å; Y406-A436 HydrophobicContact CG-CB 3.47Å; Y406-A436 VanDerWaalsContact CG-CB 3.47Å; L432-A436 WeakPolarHBondContact O-CB 2.88Å; L432-A436 PolarHBondContact O-N 3.26Å; S433-A436 PolarHBondContact O-N 3.45Å; A436-G438 VanDerWaalsContact C-N 3.27Å; A436-G438 PolarHBondContact O-N 3.24Å |
| 437 | A | 92.9 | Very high | 94.6 | Very high | 33 Ų | 33 | 34.9 Ų | 34.9 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S433 L434 M435 K439 | S433-A437 VanDerWaalsContact O-CB 3.22Å; S433-A437 WeakPolarHBondContact O-CB 3.47Å; S433-A437 PolarHBondContact O-N 3.44Å; L434-A437 PolarHBondContact O-N 3.24Å; M435-A437 VanDerWaalsContact C-N 3.34Å; M435-A437 PolarHBondContact O-N 3.13Å; A437-K439 VanDerWaalsContact C-N 3.31Å; A437-K439 HydrophobicContact CB-CG 4.49Å |
| 438 | G | 90.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 35 Ų | 35 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 14.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L434 M435 A436 W440 | L434-G438 PolarHBondContact O-N 3.33Å; M435-G438 PolarHBondContact O-N 3.14Å; A436-G438 VanDerWaalsContact C-N 3.27Å; A436-G438 PolarHBondContact O-N 3.24Å; G438-W440 VanDerWaalsContact C-N 3.27Å; G438-W440 PolarHBondContact O-N 2.96Å; G438-W440 VanDerWaalsContact O-N 3.08Å; G438-W440 PolarHBondContact O-NE1 3.28Å |
| 439 | K | 93.7 | Very high | 94.5 | Very high | 76 Ų | 76 | 36.3 Ų | 36.3 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | trans | -84.8 | 68.4 | 174.5 | -69.9 | 176.8 | 177 | 174.2 | 0 | 110 | S410 L434 A437 V441 G442 A443 | S410-K439 PolarHBondContact OG-NZ 3.49Å; L434-K439 HydrophobicContact CB-CB 4.38Å; L434-K439 HydrophobicContact CD2-CB 3.85Å; L434-K439 HydrophobicContact CD2-CD 3.57Å; L434-K439 HydrophobicContact CD2-CG 4.35Å; L434-K439 PolarHBondContact O-N 2.79Å; A437-K439 VanDerWaalsContact C-N 3.31Å; A437-K439 HydrophobicContact CB-CG 4.49Å; K439-V441 PolarHBondContact O-N 2.64Å; K439-G442 PolarHBondContact O-N 2.84Å; K439-A443 PolarHBondContact O-N 3.17Å | ||
| 440 | W | 94.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 33.9 Ų | 33.9 | 31% | 0.307 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.7 | -45.3 | -167.2 | -48.7 | 123.4 | 0 | 0 | 0 | 115.2 | M435 G438 A443 V444 I467 Q471 L472 | M435-W440 HydrophobicContact CG-CZ3 4.46Å; M435-W440 VanDerWaalsContact O-CZ3 3.22Å; M435-W440 WeakPolarHBondContact O-CZ3 3.22Å; G438-W440 VanDerWaalsContact C-N 3.27Å; G438-W440 PolarHBondContact O-N 2.96Å; G438-W440 VanDerWaalsContact O-N 3.08Å; G438-W440 PolarHBondContact O-NE1 3.28Å; W440-A443 PolarHBondContact O-N 2.83Å; W440-V444 WeakPolarHBondContact O-CG2 3.23Å; W440-V444 PolarHBondContact O-N 3.29Å; W440-V444 VanDerWaalsContact O-N 3.07Å; W440-I467 HydrophobicContact CB-CG2 3.76Å; W440-I467 HydrophobicContact CD2-CG2 4.4Å; W440-I467 HydrophobicContact CE3-CG2 3.98Å; W440-I467 HydrophobicContact CG-CG2 4.36Å; W440-Q471 HydrophobicContact CD2-CB 3.7Å; W440-Q471 HydrophobicContact CD2-CG 3.76Å; W440-Q471 HydrophobicContact CE3-CB 4.32Å; W440-Q471 HydrophobicContact CE3-CG 4.04Å; W440-Q471 HydrophobicContact CG-CB 3.76Å; W440-Q471 HydrophobicContact CG-CG 4.37Å; W440-Q471 HydrophobicContact CH2-CG 3.95Å; W440-Q471 HydrophobicContact CZ2-CB 4.34Å; W440-Q471 HydrophobicContact CZ2-CG 3.65Å; W440-Q471 HydrophobicContact CZ3-CG 4.13Å; W440-L472 HydrophobicContact CB-CD1 4.1Å; W440-L472 HydrophobicContact CB-CD2 3.68Å; W440-L472 HydrophobicContact CB-CG 3.8Å |
| 441 | V | 95.6 | Very high | 94.4 | Very high | 77 Ų | 77 | 33.5 Ų | 33.5 | 47% | 0.467 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.3 | -44.2 | -177.2 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | K439 S445 L472 W474 | K439-V441 PolarHBondContact O-N 2.64Å; V441-S445 PolarHBondContact O-N 3.1Å; V441-S445 PolarHBondContact O-OG 3.45Å; V441-L472 HydrophobicContact CG2-CD1 4.48Å; V441-L472 HydrophobicContact CG2-CD2 3.71Å; V441-W474 HydrophobicContact CB-CH2 4.48Å; V441-W474 HydrophobicContact CG1-CH2 4.01Å; V441-W474 HydrophobicContact CG2-CH2 4.04Å; V441-W474 HydrophobicContact CG2-CZ2 4.26Å |
| 442 | G | 94.6 | Very high | 94.3 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K439 V444 S445 V446 | K439-G442 PolarHBondContact O-N 2.84Å; G442-V444 PolarHBondContact O-N 2.6Å; G442-S445 PolarHBondContact O-N 3.35Å; G442-V446 WeakPolarHBondContact O-CG2 3.33Å; G442-V446 PolarHBondContact O-N 3.32Å |
| 443 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -48.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L434 M435 K439 W440 S445 V446 L447 I467 | L434-A443 HydrophobicContact CB-CB 3.85Å; M435-A443 HydrophobicContact CB-CB 4.14Å; K439-A443 PolarHBondContact O-N 3.17Å; W440-A443 PolarHBondContact O-N 2.83Å; A443-S445 VanDerWaalsContact C-N 3.31Å; A443-S445 PolarHBondContact O-N 2.86Å; A443-V446 PolarHBondContact O-N 3.31Å; A443-L447 WeakPolarHBondContact O-CB 3.1Å; A443-L447 WeakPolarHBondContact O-CG 3.13Å; A443-L447 PolarHBondContact O-N 2.9Å; A443-I467 HydrophobicContact CB-CD1 3.88Å |
| 444 | V | 96 | Very high | 94 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 177.9 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | W440 G442 L447 K448 A464 I467 L472 | W440-V444 WeakPolarHBondContact O-CG2 3.23Å; W440-V444 PolarHBondContact O-N 3.29Å; W440-V444 VanDerWaalsContact O-N 3.07Å; G442-V444 PolarHBondContact O-N 2.6Å; V444-L447 PolarHBondContact O-N 3.28Å; V444-K448 HydrophobicContact CG1-CD 4.29Å; V444-K448 VanDerWaalsContact O-CG 3.32Å; V444-K448 WeakPolarHBondContact O-CG 3.16Å; V444-K448 PolarHBondContact O-N 3.44Å; V444-A464 HydrophobicContact CG1-CB 4.47Å; V444-I467 HydrophobicContact CG2-CB 3.87Å; V444-I467 HydrophobicContact CG2-CD1 4.3Å; V444-I467 HydrophobicContact CG2-CG2 3.72Å; V444-L472 HydrophobicContact CG2-CD1 3.88Å |
| 445 | S | 94.9 | Very high | 93.7 | Very high | 63 Ų | 63 | 50 Ų | 50 | 44% | 0.441 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 179.7 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | V441 G442 A443 K448 E449 | V441-S445 PolarHBondContact O-N 3.1Å; V441-S445 PolarHBondContact O-OG 3.45Å; G442-S445 PolarHBondContact O-N 3.35Å; A443-S445 VanDerWaalsContact C-N 3.31Å; A443-S445 PolarHBondContact O-N 2.86Å; S445-K448 PolarHBondContact O-N 3.01Å; S445-E449 PolarHBondContact O-N 3.25Å |
| 446 | V | 95.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 9% | 0.085 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | W427 L430 L434 G442 A443 K448 E449 C450 | W427-V446 HydrophobicContact CE3-CG1 3.97Å; W427-V446 HydrophobicContact CZ3-CG2 4.37Å; W427-V446 WeakPolarHBondContact O-CG1 3.35Å; L430-V446 HydrophobicContact CB-CG1 4.45Å; L430-V446 HydrophobicContact CD2-CG2 4.23Å; L430-V446 HydrophobicContact CG-CG1 4.41Å; L430-V446 HydrophobicContact CG-CG2 4.46Å; L434-V446 HydrophobicContact CD1-CB 4.48Å; L434-V446 HydrophobicContact CD1-CG2 3.85Å; G442-V446 WeakPolarHBondContact O-CG2 3.33Å; G442-V446 PolarHBondContact O-N 3.32Å; A443-V446 PolarHBondContact O-N 3.31Å; V446-K448 VanDerWaalsContact C-N 3.31Å; V446-K448 PolarHBondContact O-N 3.48Å; V446-E449 WeakPolarHBondContact O-CB 3.41Å; V446-E449 PolarHBondContact O-N 2.96Å; V446-E449 VanDerWaalsContact O-N 3.15Å; V446-C450 PolarHBondContact O-N 3.35Å; V446-C450 PolarHBondContact O-SG 2.74Å |
| 447 | L | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -34.6 | 177.1 | -72.5 | 170.9 | 0 | 0 | 0 | 112.6 | A443 V444 C450 A451 L460 L463 A464 I467 | A443-L447 WeakPolarHBondContact O-CB 3.1Å; A443-L447 WeakPolarHBondContact O-CG 3.13Å; A443-L447 PolarHBondContact O-N 2.9Å; V444-L447 PolarHBondContact O-N 3.28Å; L447-C450 WeakPolarHBondContact O-CB 3.42Å; L447-C450 PolarHBondContact O-N 3.01Å; L447-A451 VanDerWaalsContact O-CB 3.26Å; L447-A451 WeakPolarHBondContact O-CB 3.48Å; L447-A451 PolarHBondContact O-N 3.36Å; L447-L460 HydrophobicContact CD2-CD2 4.3Å; L447-L463 HydrophobicContact CD1-CB 3.96Å; L447-A464 HydrophobicContact CB-CB 4.11Å; L447-A464 HydrophobicContact CD1-CB 4.2Å; L447-I467 HydrophobicContact CD1-CD1 4.01Å |
| 448 | K | 94 | Very high | 93.3 | Very high | 69 Ų | 69 | 52.9 Ų | 52.9 | 30% | 0.3 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 172.9 | -77.5 | 175.9 | 175 | -172.8 | 0 | 111.9 | V444 S445 V446 A451 R452 E477 | V444-K448 HydrophobicContact CG1-CD 4.29Å; V444-K448 VanDerWaalsContact O-CG 3.32Å; V444-K448 WeakPolarHBondContact O-CG 3.16Å; V444-K448 PolarHBondContact O-N 3.44Å; S445-K448 PolarHBondContact O-N 3.01Å; V446-K448 VanDerWaalsContact C-N 3.31Å; V446-K448 PolarHBondContact O-N 3.48Å; K448-A451 CarbonylContact O-C 3.5Å; K448-A451 PolarHBondContact O-N 2.99Å; K448-R452 PolarHBondContact O-N 3.39Å; K448-E477 IonicContact NZ-OE2 3.42Å; K448-E477 PolarHBondContact NZ-OE2 2.94Å |
| 449 | E | 93.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 173.7 | -68.9 | -57.4 | 139 | 0 | 0 | 111.9 | W427 S445 V446 A451 R452 M453 | W427-E449 HydrophobicContact CE3-CB 3.77Å; W427-E449 HydrophobicContact CE3-CG 4.42Å; W427-E449 HydrophobicContact CH2-CB 4.48Å; W427-E449 HydrophobicContact CH2-CG 4.36Å; W427-E449 HydrophobicContact CZ3-CB 3.7Å; W427-E449 HydrophobicContact CZ3-CG 3.84Å; S445-E449 PolarHBondContact O-N 3.25Å; V446-E449 WeakPolarHBondContact O-CB 3.41Å; V446-E449 PolarHBondContact O-N 2.96Å; V446-E449 VanDerWaalsContact O-N 3.15Å; E449-A451 VanDerWaalsContact C-N 3.25Å; E449-A451 PolarHBondContact O-N 3.36Å; E449-R452 WeakPolarHBondContact O-CA 3.48Å; E449-R452 WeakPolarHBondContact O-CB 3.35Å; E449-R452 PolarHBondContact O-N 2.7Å; E449-R452 IonicContact OE2-CZ 2.68Å; E449-R452 IonicContact OE2-NE 3.64Å; E449-R452 PolarHBondContact OE2-NE 2.82Å; E449-R452 IonicContact OE2-NH2 3.18Å; E449-R452 PolarHBondContact OE2-NH2 3.45Å; E449-M453 PolarHBondContact O-N 3.37Å |
| 450 | C | 94.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.8 | -43.5 | 172 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | F424 W427 V446 L447 R452 M453 R454 L460 | F424-C450 HydrophobicContact CD2-CB 4.49Å; F424-C450 HydrophobicContact CE2-CB 4.03Å; W427-C450 VanDerWaalsContact C-SG 3.52Å; V446-C450 PolarHBondContact O-N 3.35Å; V446-C450 PolarHBondContact O-SG 2.74Å; L447-C450 WeakPolarHBondContact O-CB 3.42Å; L447-C450 PolarHBondContact O-N 3.01Å; C450-R452 PolarHBondContact O-N 3.41Å; C450-M453 PolarHBondContact O-N 2.85Å; C450-R454 PolarHBondContact O-N 3.49Å; C450-L460 HydrophobicContact CB-CD1 3.95Å; C450-L460 HydrophobicContact CB-CD2 4.18Å |
| 451 | A | 93 | Very high | 93.4 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.8 | -10.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L447 K448 E449 L460 R484 | L447-A451 VanDerWaalsContact O-CB 3.26Å; L447-A451 WeakPolarHBondContact O-CB 3.48Å; L447-A451 PolarHBondContact O-N 3.36Å; K448-A451 CarbonylContact O-C 3.5Å; K448-A451 PolarHBondContact O-N 2.99Å; E449-A451 VanDerWaalsContact C-N 3.25Å; E449-A451 PolarHBondContact O-N 3.36Å; A451-L460 HydrophobicContact CB-CB 3.93Å; A451-L460 HydrophobicContact CB-CD1 4.41Å; A451-R484 VanDerWaalsContact CB-NH2 3.31Å; A451-R484 PolarHBondContact O-NH2 2.79Å |
| 452 | R | 92.7 | Very high | 93.4 | Very high | 170 Ų | 170 | 42.4 Ų | 42.4 | 64% | 0.642 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -84.4 | -39.5 | 168.5 | -178.5 | 177.1 | 67.9 | 108.7 | -1 | 110.7 | K448 E449 C450 | K448-R452 PolarHBondContact O-N 3.39Å; E449-R452 WeakPolarHBondContact O-CA 3.48Å; E449-R452 WeakPolarHBondContact O-CB 3.35Å; E449-R452 PolarHBondContact O-N 2.7Å; E449-R452 IonicContact OE2-CZ 2.68Å; E449-R452 IonicContact OE2-NE 3.64Å; E449-R452 PolarHBondContact OE2-NE 2.82Å; E449-R452 IonicContact OE2-NH2 3.18Å; E449-R452 PolarHBondContact OE2-NH2 3.45Å; C450-R452 PolarHBondContact O-N 3.41Å |
| 453 | M | 92.1 | Very high | 93.4 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 20% | 0.202 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.8 | -36.9 | 176.6 | -67.9 | -177.3 | -72.3 | 0 | 0 | 112.5 | D422 F424 W427 E449 C450 | D422-M453 WeakPolarHBondContact OD1-CG 3.4Å; F424-M453 HydrophobicContact CD2-CB 4.45Å; F424-M453 HydrophobicContact CD2-CE 4.44Å; W427-M453 HydrophobicContact CB-CE 3.59Å; W427-M453 HydrophobicContact CD2-CE 4.16Å; W427-M453 HydrophobicContact CG-CE 3.61Å; E449-M453 PolarHBondContact O-N 3.37Å; C450-M453 PolarHBondContact O-N 2.85Å |
| 454 | R | 91.3 | Very high | 93.4 | Very high | 130 Ų | 130 | 43.3 Ų | 43.3 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | trans | -123.6 | 87.8 | 174.5 | -68.3 | -166.9 | -178.7 | 173.1 | 2.1 | 110.8 | F424 C450 D456 D457 | F424-R454 HydrophobicContact CD2-CB 4.37Å; F424-R454 HydrophobicContact CD2-CG 3.78Å; F424-R454 HydrophobicContact CE2-CB 4.19Å; F424-R454 HydrophobicContact CE2-CG 3.99Å; F424-R454 HydrophobicContact CG-CG 4.25Å; C450-R454 PolarHBondContact O-N 3.49Å; R454-D456 PolarHBondContact O-N 2.84Å; R454-D457 HydrophobicContact CB-CB 4.3Å | ||
| 455 | P | 89.5 | Confident | 93.4 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 49% | 0.487 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -24.7 | 180 | 27.9 | -34 | 0 | 0 | 0 | 113.1 | D457 | P455-D457 VanDerWaalsContact C-N 3.29Å; P455-D457 PolarHBondContact O-N 3.43Å |
| 456 | D | 88.8 | Confident | 93.4 | Very high | 131 Ų | 131 | 44.7 Ų | 44.7 | 70% | 0.701 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -12.1 | -176.6 | -51.3 | -28.9 | 0 | 0 | 0 | 113.4 | R454 P458 M488 | R454-D456 PolarHBondContact O-N 2.84Å; D456-P458 WeakPolarHBondContact O-CD 3.47Å; D456-M488 WeakPolarHBondContact O-CE 3.45Å |
| 457 | D | 90.4 | Very high | 93.4 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | trans | -92.9 | 106.9 | -178.2 | -173.1 | -7.2 | 0 | 0 | 0 | 111 | R454 P455 S459 L460 P461 | R454-D457 HydrophobicContact CB-CB 4.3Å; P455-D457 VanDerWaalsContact C-N 3.29Å; P455-D457 PolarHBondContact O-N 3.43Å; D457-S459 VanDerWaalsContact C-N 3.27Å; D457-S459 VanDerWaalsContact CG-OG 3.22Å; D457-S459 PolarHBondContact O-N 3.34Å; D457-S459 VanDerWaalsContact OD1-CB 3.24Å; D457-S459 WeakPolarHBondContact OD1-CB 3.37Å; D457-S459 PolarHBondContact OD1-N 3.42Å; D457-S459 PolarHBondContact OD1-OG 3.28Å; D457-S459 PolarHBondContact OD2-OG 2.72Å; D457-L460 HydrophobicContact CB-CD1 4.12Å; D457-L460 HydrophobicContact CB-CG 4.49Å; D457-P461 WeakPolarHBondContact O-CD 3.29Å | ||
| 458 | P | 93.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 8% | 0.078 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -73.7 | -14.9 | 179.3 | 32.3 | -38.1 | 0 | 0 | 0 | 113.3 | D456 L460 P461 M462 V485 M488 A492 F495 | D456-P458 WeakPolarHBondContact O-CD 3.47Å; P458-L460 PolarHBondContact O-N 3.16Å; P458-P461 WeakPolarHBondContact O-CD 3.37Å; P458-P461 WeakPolarHBondContact O-CG 3.29Å; P458-M462 VanDerWaalsContact O-CG 3.22Å; P458-M462 WeakPolarHBondContact O-CG 3.44Å; P458-M462 PolarHBondContact O-N 3.29Å; P458-V485 HydrophobicContact CB-CG1 3.77Å; P458-V485 HydrophobicContact CB-CG2 4.4Å; P458-M488 HydrophobicContact CB-CE 4.39Å; P458-M488 HydrophobicContact CB-SD 4.08Å; P458-A492 HydrophobicContact CB-CB 4.34Å; P458-F495 HydrophobicContact CB-CB 3.93Å; P458-F495 HydrophobicContact CB-CD2 4.19Å; P458-F495 HydrophobicContact CB-CG 4.11Å; P458-F495 HydrophobicContact CG-CB 4.07Å; P458-F495 HydrophobicContact CG-CD2 3.47Å; P458-F495 VanDerWaalsContact CG-CD2 3.47Å; P458-F495 HydrophobicContact CG-CE2 4.11Å; P458-F495 HydrophobicContact CG-CG 3.9Å |
| 459 | S | 93.1 | Very high | 93.5 | Very high | 27 Ų | 27 | 41 Ų | 41 | 19% | 0.189 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.1 | -37.7 | -174.5 | 71.3 | 0 | 0 | 0 | 0 | 112.7 | D457 M462 L463 | D457-S459 VanDerWaalsContact C-N 3.27Å; D457-S459 VanDerWaalsContact CG-OG 3.22Å; D457-S459 PolarHBondContact O-N 3.34Å; D457-S459 VanDerWaalsContact OD1-CB 3.24Å; D457-S459 WeakPolarHBondContact OD1-CB 3.37Å; D457-S459 PolarHBondContact OD1-N 3.42Å; D457-S459 PolarHBondContact OD1-OG 3.28Å; D457-S459 PolarHBondContact OD2-OG 2.72Å; S459-M462 PolarHBondContact O-N 3.15Å; S459-L463 WeakPolarHBondContact O-CG 3.44Å; S459-L463 PolarHBondContact O-N 2.88Å |
| 460 | L | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -53 | -176.4 | -55.6 | 167 | 0 | 0 | 0 | 113.2 | F424 H428 L447 C450 A451 D457 P458 M462 L463 A464 | F424-L460 HydrophobicContact CE2-CD1 3.63Å; F424-L460 HydrophobicContact CE2-CD2 4.47Å; F424-L460 HydrophobicContact CZ-CD1 4.01Å; F424-L460 HydrophobicContact CZ-CD2 4.29Å; H428-L460 WeakPolarHBondContact ND1-CD2 3.37Å; L447-L460 HydrophobicContact CD2-CD2 4.3Å; C450-L460 HydrophobicContact CB-CD1 3.95Å; C450-L460 HydrophobicContact CB-CD2 4.18Å; A451-L460 HydrophobicContact CB-CB 3.93Å; A451-L460 HydrophobicContact CB-CD1 4.41Å; D457-L460 HydrophobicContact CB-CD1 4.12Å; D457-L460 HydrophobicContact CB-CG 4.49Å; P458-L460 PolarHBondContact O-N 3.16Å; L460-M462 PolarHBondContact O-N 3.17Å; L460-L463 PolarHBondContact O-N 2.98Å; L460-A464 PolarHBondContact O-N 2.95Å; L460-A464 VanDerWaalsContact O-N 3.1Å |
| 461 | P | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.6 | -27.7 | 174.1 | 25.2 | -34.7 | 0 | 0 | 0 | 112.5 | D457 P458 A464 A465 L481 V485 | D457-P461 WeakPolarHBondContact O-CD 3.29Å; P458-P461 WeakPolarHBondContact O-CD 3.37Å; P458-P461 WeakPolarHBondContact O-CG 3.29Å; P461-A464 PolarHBondContact O-N 3.3Å; P461-A465 WeakPolarHBondContact O-CB 3.41Å; P461-A465 PolarHBondContact O-N 3.34Å; P461-L481 HydrophobicContact CB-CB 4.45Å; P461-L481 HydrophobicContact CB-CD2 4.15Å; P461-V485 HydrophobicContact CB-CG2 3.91Å; P461-V485 HydrophobicContact CG-CG2 3.35Å |
| 462 | M | 95.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 45 Ų | 45 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.3 | -40.8 | 175.4 | -71.2 | -61.7 | 91.5 | 0 | 0 | 112.8 | P458 S459 L460 A464 A465 K466 V485 F495 A499 | P458-M462 VanDerWaalsContact O-CG 3.22Å; P458-M462 WeakPolarHBondContact O-CG 3.44Å; P458-M462 PolarHBondContact O-N 3.29Å; S459-M462 PolarHBondContact O-N 3.15Å; L460-M462 PolarHBondContact O-N 3.17Å; M462-A464 VanDerWaalsContact C-N 3.32Å; M462-A464 PolarHBondContact O-N 3.3Å; M462-A465 HydrophobicContact CE-CB 4.18Å; M462-A465 PolarHBondContact O-N 3.49Å; M462-K466 PolarHBondContact O-N 3.37Å; M462-V485 HydrophobicContact CE-CB 3.81Å; M462-V485 HydrophobicContact CE-CG1 4.4Å; M462-V485 HydrophobicContact CE-CG2 3.43Å; M462-V485 VanDerWaalsContact CE-CG2 3.43Å; M462-V485 HydrophobicContact CG-CG1 4.36Å; M462-V485 HydrophobicContact CG-CG2 4.15Å; M462-V485 HydrophobicContact SD-CB 4.45Å; M462-V485 HydrophobicContact SD-CG1 4.43Å; M462-V485 HydrophobicContact SD-CG2 4.34Å; M462-F495 HydrophobicContact CB-CD1 4.37Å; M462-F495 HydrophobicContact CG-CD1 4.07Å; M462-A499 HydrophobicContact CE-CB 4.35Å; M462-A499 HydrophobicContact SD-CB 3.99Å |
| 463 | L | 94.8 | Very high | 93.2 | Very high | 48 Ų | 48 | 42.3 Ų | 42.3 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.4 | -43 | 171.4 | -71.9 | 171.7 | 0 | 0 | 0 | 111.3 | L432 M435 L447 S459 L460 K466 I467 | L432-L463 HydrophobicContact CD2-CD1 4.21Å; M435-L463 HydrophobicContact CE-CD2 4.43Å; M435-L463 HydrophobicContact SD-CD2 4.39Å; L447-L463 HydrophobicContact CD1-CB 3.96Å; S459-L463 WeakPolarHBondContact O-CG 3.44Å; S459-L463 PolarHBondContact O-N 2.88Å; L460-L463 PolarHBondContact O-N 2.98Å; L463-K466 PolarHBondContact O-N 3.01Å; L463-I467 WeakPolarHBondContact O-CG1 3.34Å; L463-I467 PolarHBondContact O-N 2.93Å |
| 464 | A | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | V444 L447 L460 P461 M462 K466 I467 C468 L481 | V444-A464 HydrophobicContact CG1-CB 4.47Å; L447-A464 HydrophobicContact CB-CB 4.11Å; L447-A464 HydrophobicContact CD1-CB 4.2Å; L460-A464 PolarHBondContact O-N 2.95Å; L460-A464 VanDerWaalsContact O-N 3.1Å; P461-A464 PolarHBondContact O-N 3.3Å; M462-A464 VanDerWaalsContact C-N 3.32Å; M462-A464 PolarHBondContact O-N 3.3Å; A464-K466 VanDerWaalsContact C-N 3.34Å; A464-K466 PolarHBondContact O-N 3.47Å; A464-I467 PolarHBondContact O-N 2.94Å; A464-C468 PolarHBondContact O-N 2.96Å; A464-C468 PolarHBondContact O-SG 2.97Å; A464-L481 HydrophobicContact CB-CD1 3.72Å |
| 465 | A | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P461 M462 I467 C468 I469 L481 | P461-A465 WeakPolarHBondContact O-CB 3.41Å; P461-A465 PolarHBondContact O-N 3.34Å; M462-A465 HydrophobicContact CE-CB 4.18Å; M462-A465 PolarHBondContact O-N 3.49Å; A465-I467 PolarHBondContact O-N 2.97Å; A465-C468 PolarHBondContact O-N 3.19Å; A465-I469 WeakPolarHBondContact O-CG1 3.44Å; A465-I469 PolarHBondContact O-N 3.27Å; A465-L481 HydrophobicContact CB-CB 4.25Å |
| 466 | K | 95.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 43.4 Ų | 43.4 | 40% | 0.404 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.9 | -47 | 174.1 | 173.3 | 172.9 | 174.5 | 133.9 | 0 | 112.5 | M435 M462 L463 A464 C468 I469 G470 L867 | M435-K466 HydrophobicContact CE-CD 4.42Å; M462-K466 PolarHBondContact O-N 3.37Å; L463-K466 PolarHBondContact O-N 3.01Å; A464-K466 VanDerWaalsContact C-N 3.34Å; A464-K466 PolarHBondContact O-N 3.47Å; K466-C468 VanDerWaalsContact C-N 3.34Å; K466-I469 PolarHBondContact O-N 3.18Å; K466-G470 PolarHBondContact O-N 3.36Å; K466-L867 HydrophobicContact CB-CB 4Å; K466-L867 HydrophobicContact CB-CD1 4.28Å; K466-L867 HydrophobicContact CD-CB 4.49Å; K466-L867 WeakPolarHBondContact CD-O 3.18Å; K466-L867 WeakPolarHBondContact CE-O 3.33Å; K466-L867 HydrophobicContact CG-CB 4.01Å; K466-L867 PolarHBondContact NZ-O 3.36Å |
| 467 | I | 95.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 177.5 | -60.4 | 168.6 | 0 | 0 | 0 | 110.6 | M435 W440 A443 V444 L447 L463 A464 A465 Q471 L472 | M435-I467 HydrophobicContact CB-CD1 4.19Å; M435-I467 HydrophobicContact CE-CG1 4.26Å; M435-I467 HydrophobicContact CG-CD1 3.81Å; M435-I467 HydrophobicContact CG-CG1 4.28Å; M435-I467 HydrophobicContact SD-CD1 3.96Å; M435-I467 HydrophobicContact SD-CG1 4.32Å; W440-I467 HydrophobicContact CB-CG2 3.76Å; W440-I467 HydrophobicContact CD2-CG2 4.4Å; W440-I467 HydrophobicContact CE3-CG2 3.98Å; W440-I467 HydrophobicContact CG-CG2 4.36Å; A443-I467 HydrophobicContact CB-CD1 3.88Å; V444-I467 HydrophobicContact CG2-CB 3.87Å; V444-I467 HydrophobicContact CG2-CD1 4.3Å; V444-I467 HydrophobicContact CG2-CG2 3.72Å; L447-I467 HydrophobicContact CD1-CD1 4.01Å; L463-I467 WeakPolarHBondContact O-CG1 3.34Å; L463-I467 PolarHBondContact O-N 2.93Å; A464-I467 PolarHBondContact O-N 2.94Å; A465-I467 PolarHBondContact O-N 2.97Å; I467-Q471 PolarHBondContact O-N 3.49Å; I467-L472 HydrophobicContact CG2-CD1 3.98Å; I467-L472 HydrophobicContact CG2-CG 4.22Å; I467-L472 PolarHBondContact O-N 3Å |
| 468 | C | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 178.2 | -71.1 | 0 | 0 | 0 | 0 | 113.1 | A464 A465 K466 H473 W474 A478 | A464-C468 PolarHBondContact O-N 2.96Å; A464-C468 PolarHBondContact O-SG 2.97Å; A465-C468 PolarHBondContact O-N 3.19Å; K466-C468 VanDerWaalsContact C-N 3.34Å; C468-H473 CarbonylContact O-C 3.3Å; C468-H473 WeakPolarHBondContact O-CA 3.06Å; C468-H473 PolarHBondContact O-N 3.44Å; C468-H473 VanDerWaalsContact O-N 3.11Å; C468-W474 HydrophobicContact CB-CB 4.18Å; C468-W474 PolarHBondContact O-N 2.63Å; C468-A478 HydrophobicContact CB-CB 3.81Å |
| 469 | I | 94.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.2 | -47.3 | 178.5 | -68.9 | -178.3 | 0 | 0 | 0 | 111.3 | A465 K466 A478 A502 L505 S506 L509 R865 L867 | A465-I469 WeakPolarHBondContact O-CG1 3.44Å; A465-I469 PolarHBondContact O-N 3.27Å; K466-I469 PolarHBondContact O-N 3.18Å; I469-A478 HydrophobicContact CD1-CB 4.19Å; I469-A478 HydrophobicContact CG1-CB 3.56Å; I469-A502 HydrophobicContact CD1-CB 4.32Å; I469-A502 WeakPolarHBondContact CD1-O 3.2Å; I469-L505 HydrophobicContact CD1-CB 4.22Å; I469-S506 WeakPolarHBondContact CD1-OG 3.3Å; I469-L509 HydrophobicContact CG2-CD1 3.66Å; I469-R865 WeakPolarHBondContact CG2-O 3.37Å; I469-L867 HydrophobicContact CD1-CD1 3.6Å; I469-L867 HydrophobicContact CD1-CG 4.05Å |
| 470 | G | 90.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 42 Ų | 42 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77.7 | -68.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | K466 H473 | K466-G470 PolarHBondContact O-N 3.36Å; G470-H473 PolarHBondContact O-CE1 3.48Å |
| 471 | Q | 89.7 | Confident | 94.7 | Very high | 104 Ų | 104 | 42.6 Ų | 42.6 | 49% | 0.486 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -30.8 | -161.7 | -58.3 | -65.1 | -36.6 | 0 | 0 | 113.9 | W440 I467 | W440-Q471 HydrophobicContact CD2-CB 3.7Å; W440-Q471 HydrophobicContact CD2-CG 3.76Å; W440-Q471 HydrophobicContact CE3-CB 4.32Å; W440-Q471 HydrophobicContact CE3-CG 4.04Å; W440-Q471 HydrophobicContact CG-CB 3.76Å; W440-Q471 HydrophobicContact CG-CG 4.37Å; W440-Q471 HydrophobicContact CH2-CG 3.95Å; W440-Q471 HydrophobicContact CZ2-CB 4.34Å; W440-Q471 HydrophobicContact CZ2-CG 3.65Å; W440-Q471 HydrophobicContact CZ3-CG 4.13Å; I467-Q471 PolarHBondContact O-N 3.49Å |
| 472 | L | 91.9 | Very high | 94.7 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -99.6 | -17.9 | -174.4 | -68.1 | 176.5 | 0 | 0 | 0 | 114.5 | W440 V441 V444 I467 W474 | W440-L472 HydrophobicContact CB-CD1 4.1Å; W440-L472 HydrophobicContact CB-CD2 3.68Å; W440-L472 HydrophobicContact CB-CG 3.8Å; V441-L472 HydrophobicContact CG2-CD1 4.48Å; V441-L472 HydrophobicContact CG2-CD2 3.71Å; V444-L472 HydrophobicContact CG2-CD1 3.88Å; I467-L472 HydrophobicContact CG2-CD1 3.98Å; I467-L472 HydrophobicContact CG2-CG 4.22Å; I467-L472 PolarHBondContact O-N 3Å; L472-W474 HydrophobicContact CB-CB 4.45Å; L472-W474 HydrophobicContact CB-CD2 4.02Å; L472-W474 HydrophobicContact CB-CG 3.96Å; L472-W474 HydrophobicContact CD1-CD2 4.07Å; L472-W474 HydrophobicContact CD1-CE3 3.79Å; L472-W474 HydrophobicContact CD1-CH2 4.24Å; L472-W474 HydrophobicContact CD1-CZ2 4.48Å; L472-W474 HydrophobicContact CD1-CZ3 3.88Å; L472-W474 PolarHBondContact O-N 3.43Å |
| 473 | H | 93.4 | Very high | 94.8 | Very high | 114 Ų | 114 | 46.4 Ų | 46.4 | 53% | 0.528 | 22% | 0.216 | S | C | . | . | trans | 53.4 | 33.1 | -171.7 | -57.3 | -56.2 | 0 | 0 | 0 | 114 | C468 G470 F475 | C468-H473 CarbonylContact O-C 3.3Å; C468-H473 WeakPolarHBondContact O-CA 3.06Å; C468-H473 PolarHBondContact O-N 3.44Å; C468-H473 VanDerWaalsContact O-N 3.11Å; G470-H473 PolarHBondContact O-CE1 3.48Å; H473-F475 VanDerWaalsContact C-N 3.29Å; H473-F475 HydrophobicContact CB-CE1 4.14Å; H473-F475 HydrophobicContact CB-CE2 4.03Å; H473-F475 HydrophobicContact CB-CZ 3.64Å; H473-F475 AromaticContact CG-CZ 3.88Å; H473-F475 AromaticContact ND1-CE1 3.84Å; H473-F475 AromaticContact ND1-CZ 3.45Å; H473-F475 WeakPolarHBondContact ND1-CZ 3.46Å; H473-F475 PolarHBondContact O-N 3.33Å; H473-F475 VanDerWaalsContact O-N 3.14Å | ||
| 474 | W | 95.4 | Very high | 94.7 | Very high | 104 Ų | 104 | 48.4 Ų | 48.4 | 39% | 0.394 | 22% | 0.221 | S | C | . | . | trans | -89.2 | 63.9 | 176.3 | -67.8 | -4.1 | 0 | 0 | 0 | 110.8 | V441 C468 L472 K476 E477 A478 | V441-W474 HydrophobicContact CB-CH2 4.48Å; V441-W474 HydrophobicContact CG1-CH2 4.01Å; V441-W474 HydrophobicContact CG2-CH2 4.04Å; V441-W474 HydrophobicContact CG2-CZ2 4.26Å; C468-W474 HydrophobicContact CB-CB 4.18Å; C468-W474 PolarHBondContact O-N 2.63Å; L472-W474 HydrophobicContact CB-CB 4.45Å; L472-W474 HydrophobicContact CB-CD2 4.02Å; L472-W474 HydrophobicContact CB-CG 3.96Å; L472-W474 HydrophobicContact CD1-CD2 4.07Å; L472-W474 HydrophobicContact CD1-CE3 3.79Å; L472-W474 HydrophobicContact CD1-CH2 4.24Å; L472-W474 HydrophobicContact CD1-CZ2 4.48Å; L472-W474 HydrophobicContact CD1-CZ3 3.88Å; L472-W474 PolarHBondContact O-N 3.43Å; W474-K476 VanDerWaalsContact C-N 3.28Å; W474-K476 PolarHBondContact O-N 2.81Å; W474-E477 HydrophobicContact CB-CB 4.09Å; W474-E477 HydrophobicContact CB-CG 4.36Å; W474-E477 PolarHBondContact O-N 3.15Å; W474-A478 PolarHBondContact O-N 3.17Å | ||
| 475 | F | 95.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -31.8 | -170.8 | -51.1 | -51.1 | 0 | 0 | 0 | 114 | H473 E479 L509 Q510 E513 | H473-F475 VanDerWaalsContact C-N 3.29Å; H473-F475 HydrophobicContact CB-CE1 4.14Å; H473-F475 HydrophobicContact CB-CE2 4.03Å; H473-F475 HydrophobicContact CB-CZ 3.64Å; H473-F475 AromaticContact CG-CZ 3.88Å; H473-F475 AromaticContact ND1-CE1 3.84Å; H473-F475 AromaticContact ND1-CZ 3.45Å; H473-F475 WeakPolarHBondContact ND1-CZ 3.46Å; H473-F475 PolarHBondContact O-N 3.33Å; H473-F475 VanDerWaalsContact O-N 3.14Å; F475-E479 WeakPolarHBondContact O-CB 3.47Å; F475-E479 PolarHBondContact O-N 3.02Å; F475-L509 HydrophobicContact CD1-CB 3.87Å; F475-L509 HydrophobicContact CD1-CD1 3.98Å; F475-L509 HydrophobicContact CD2-CB 4.2Å; F475-L509 HydrophobicContact CE1-CB 3.71Å; F475-L509 HydrophobicContact CE1-CD1 3.55Å; F475-L509 HydrophobicContact CE1-CD2 4.34Å; F475-L509 HydrophobicContact CE1-CG 4.06Å; F475-L509 HydrophobicContact CE2-CB 4.02Å; F475-L509 HydrophobicContact CG-CB 4.13Å; F475-L509 HydrophobicContact CZ-CB 3.77Å; F475-L509 HydrophobicContact CZ-CD1 4.23Å; F475-L509 HydrophobicContact CZ-CD2 4.21Å; F475-L509 HydrophobicContact CZ-CG 4.29Å; F475-Q510 HydrophobicContact CB-CG 3.6Å; F475-Q510 HydrophobicContact CD2-CG 4.38Å; F475-Q510 HydrophobicContact CG-CG 4.33Å; F475-Q510 PolarHBondContact O-NE2 3.16Å; F475-E513 WeakPolarHBondContact CD2-OE2 3.11Å; F475-E513 VanDerWaalsContact CE2-CD 3.5Å; F475-E513 HydrophobicContact CE2-CG 4.36Å; F475-E513 WeakPolarHBondContact CE2-OE1 3.39Å; F475-E513 WeakPolarHBondContact CE2-OE2 3.32Å |
| 476 | K | 95 | Very high | 94.6 | Very high | 156 Ų | 156 | 49.1 Ų | 49.1 | 68% | 0.678 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -68.3 | -37.2 | 175.5 | -67.4 | -177.5 | -179.5 | 177.6 | 0 | 112.3 | W474 E479 N480 | W474-K476 VanDerWaalsContact C-N 3.28Å; W474-K476 PolarHBondContact O-N 2.81Å; K476-E479 WeakPolarHBondContact O-CB 3.45Å; K476-E479 PolarHBondContact O-N 3.22Å; K476-N480 VanDerWaalsContact O-CG 3.31Å; K476-N480 PolarHBondContact O-N 3.49Å; K476-N480 VanDerWaalsContact O-N 3.09Å; K476-N480 PolarHBondContact O-ND2 2.9Å |
| 477 | E | 95.4 | Very high | 94.5 | Very high | 69 Ų | 69 | 49.4 Ų | 49.4 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.2 | -42.3 | 175.3 | -72.7 | -65.2 | 138.7 | 0 | 0 | 111 | K448 W474 E479 N480 L481 | K448-E477 IonicContact NZ-OE2 3.42Å; K448-E477 PolarHBondContact NZ-OE2 2.94Å; W474-E477 HydrophobicContact CB-CB 4.09Å; W474-E477 HydrophobicContact CB-CG 4.36Å; W474-E477 PolarHBondContact O-N 3.15Å; E477-E479 VanDerWaalsContact C-N 3.28Å; E477-E479 PolarHBondContact O-N 2.81Å; E477-N480 PolarHBondContact O-N 3.44Å; E477-L481 WeakPolarHBondContact O-CB 3.18Å; E477-L481 VanDerWaalsContact O-CG 3.32Å; E477-L481 WeakPolarHBondContact O-CG 3.39Å; E477-L481 PolarHBondContact O-N 2.99Å |
| 478 | A | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C468 I469 W474 S482 S506 | C468-A478 HydrophobicContact CB-CB 3.81Å; I469-A478 HydrophobicContact CD1-CB 4.19Å; I469-A478 HydrophobicContact CG1-CB 3.56Å; W474-A478 PolarHBondContact O-N 3.17Å; A478-S482 VanDerWaalsContact O-CB 3.24Å; A478-S482 WeakPolarHBondContact O-CB 3.49Å; A478-S482 PolarHBondContact O-N 3.42Å; A478-S482 PolarHBondContact O-OG 2.85Å; A478-S506 WeakPolarHBondContact CB-OG 3.29Å |
| 479 | E | 96.1 | Very high | 93.9 | Very high | 29 Ų | 29 | 52 Ų | 52 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 174.6 | 179 | -173.6 | 167.7 | 0 | 0 | 111.7 | F475 K476 E477 S482 K483 L503 F507 Q510 | F475-E479 WeakPolarHBondContact O-CB 3.47Å; F475-E479 PolarHBondContact O-N 3.02Å; K476-E479 WeakPolarHBondContact O-CB 3.45Å; K476-E479 PolarHBondContact O-N 3.22Å; E477-E479 VanDerWaalsContact C-N 3.28Å; E477-E479 PolarHBondContact O-N 2.81Å; E479-S482 PolarHBondContact O-N 3.41Å; E479-K483 HydrophobicContact CG-CD 4.29Å; E479-K483 WeakPolarHBondContact O-CB 3.32Å; E479-K483 WeakPolarHBondContact O-CG 3.33Å; E479-K483 PolarHBondContact O-N 3.15Å; E479-K483 VanDerWaalsContact OE1-CE 3.24Å; E479-K483 WeakPolarHBondContact OE1-CE 3.36Å; E479-K483 IonicContact OE1-NZ 3.57Å; E479-K483 PolarHBondContact OE1-NZ 3.49Å; E479-L503 HydrophobicContact CG-CD2 4.09Å; E479-F507 HydrophobicContact CG-CE1 4.07Å; E479-F507 HydrophobicContact CG-CZ 4.2Å; E479-F507 WeakPolarHBondContact OE1-CE1 3.41Å; E479-Q510 PolarHBondContact OE2-NE2 3.19Å |
| 480 | N | 96.3 | Very high | 93.4 | Very high | 87 Ų | 87 | 60.7 Ų | 60.7 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | -180 | -70.8 | -22.5 | 0 | 0 | 0 | 112.2 | K476 E477 S482 K483 R484 | K476-N480 VanDerWaalsContact O-CG 3.31Å; K476-N480 PolarHBondContact O-N 3.49Å; K476-N480 VanDerWaalsContact O-N 3.09Å; K476-N480 PolarHBondContact O-ND2 2.9Å; E477-N480 PolarHBondContact O-N 3.44Å; N480-S482 VanDerWaalsContact C-N 3.34Å; N480-S482 PolarHBondContact O-N 3.26Å; N480-K483 PolarHBondContact O-N 3.03Å; N480-R484 PolarHBondContact O-N 2.94Å |
| 481 | L | 95.2 | Very high | 93.1 | Very high | 12 Ų | 12 | 66.6 Ų | 66.6 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 177.6 | -69.5 | 169.4 | 0 | 0 | 0 | 111.5 | P461 A464 A465 E477 R484 V485 | P461-L481 HydrophobicContact CB-CB 4.45Å; P461-L481 HydrophobicContact CB-CD2 4.15Å; A464-L481 HydrophobicContact CB-CD1 3.72Å; A465-L481 HydrophobicContact CB-CB 4.25Å; E477-L481 WeakPolarHBondContact O-CB 3.18Å; E477-L481 VanDerWaalsContact O-CG 3.32Å; E477-L481 WeakPolarHBondContact O-CG 3.39Å; E477-L481 PolarHBondContact O-N 2.99Å; L481-R484 WeakPolarHBondContact O-CB 3.4Å; L481-R484 PolarHBondContact O-N 3.39Å; L481-V485 PolarHBondContact O-N 2.94Å |
| 482 | S | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.4 | -36.9 | -180 | -52.1 | 0 | 0 | 0 | 0 | 112.6 | A478 E479 N480 R484 V485 A486 A502 | A478-S482 VanDerWaalsContact O-CB 3.24Å; A478-S482 WeakPolarHBondContact O-CB 3.49Å; A478-S482 PolarHBondContact O-N 3.42Å; A478-S482 PolarHBondContact O-OG 2.85Å; E479-S482 PolarHBondContact O-N 3.41Å; N480-S482 VanDerWaalsContact C-N 3.34Å; N480-S482 PolarHBondContact O-N 3.26Å; S482-R484 VanDerWaalsContact C-N 3.3Å; S482-R484 PolarHBondContact O-N 2.98Å; S482-V485 PolarHBondContact O-N 2.77Å; S482-A486 WeakPolarHBondContact O-CB 3.06Å; S482-A486 PolarHBondContact O-N 3.05Å; S482-A502 VanDerWaalsContact OG-CB 3.25Å; S482-A502 WeakPolarHBondContact OG-CB 3.32Å |
| 483 | K | 95.6 | Very high | 92.6 | Very high | 96 Ų | 96 | 70.1 Ų | 70.1 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 170.9 | -77.6 | 179.6 | -173 | 170 | 0 | 112 | E479 N480 A486 S487 L503 | E479-K483 HydrophobicContact CG-CD 4.29Å; E479-K483 WeakPolarHBondContact O-CB 3.32Å; E479-K483 WeakPolarHBondContact O-CG 3.33Å; E479-K483 PolarHBondContact O-N 3.15Å; E479-K483 VanDerWaalsContact OE1-CE 3.24Å; E479-K483 WeakPolarHBondContact OE1-CE 3.36Å; E479-K483 IonicContact OE1-NZ 3.57Å; E479-K483 PolarHBondContact OE1-NZ 3.49Å; N480-K483 PolarHBondContact O-N 3.03Å; K483-A486 PolarHBondContact O-N 3.44Å; K483-S487 WeakPolarHBondContact O-CB 3.33Å; K483-S487 PolarHBondContact O-N 2.92Å; K483-L503 HydrophobicContact CG-CD1 4.43Å; K483-L503 HydrophobicContact CG-CD2 3.8Å |
| 484 | R | 93.9 | Very high | 92.4 | Very high | 90 Ų | 90 | 72.9 Ų | 72.9 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 176.8 | -161 | -179.6 | 93.6 | 167.6 | 17.8 | 111.1 | A451 N480 L481 S482 S487 | A451-R484 VanDerWaalsContact CB-NH2 3.31Å; A451-R484 PolarHBondContact O-NH2 2.79Å; N480-R484 PolarHBondContact O-N 2.94Å; L481-R484 WeakPolarHBondContact O-CB 3.4Å; L481-R484 PolarHBondContact O-N 3.39Å; S482-R484 VanDerWaalsContact C-N 3.3Å; S482-R484 PolarHBondContact O-N 2.98Å; R484-S487 PolarHBondContact O-N 3.41Å; R484-S487 PolarHBondContact O-OG 2.79Å |
| 485 | V | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | P458 P461 M462 L481 S482 S487 M488 A492 F495 A499 | P458-V485 HydrophobicContact CB-CG1 3.77Å; P458-V485 HydrophobicContact CB-CG2 4.4Å; P461-V485 HydrophobicContact CB-CG2 3.91Å; P461-V485 HydrophobicContact CG-CG2 3.35Å; M462-V485 HydrophobicContact CE-CB 3.81Å; M462-V485 HydrophobicContact CE-CG1 4.4Å; M462-V485 HydrophobicContact CE-CG2 3.43Å; M462-V485 VanDerWaalsContact CE-CG2 3.43Å; M462-V485 HydrophobicContact CG-CG1 4.36Å; M462-V485 HydrophobicContact CG-CG2 4.15Å; M462-V485 HydrophobicContact SD-CB 4.45Å; M462-V485 HydrophobicContact SD-CG1 4.43Å; M462-V485 HydrophobicContact SD-CG2 4.34Å; L481-V485 PolarHBondContact O-N 2.94Å; S482-V485 PolarHBondContact O-N 2.77Å; V485-S487 PolarHBondContact O-N 3.43Å; V485-M488 WeakPolarHBondContact O-CB 3.36Å; V485-M488 PolarHBondContact O-N 3.03Å; V485-A492 HydrophobicContact CG1-CB 4.04Å; V485-F495 HydrophobicContact CG1-CB 4.28Å; V485-A499 HydrophobicContact CB-CB 3.97Å; V485-A499 HydrophobicContact CG1-CB 3.81Å |
| 486 | A | 93.9 | Very high | 92.2 | Very high | 16 Ų | 16 | 72.2 Ų | 72.2 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -29.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S482 K483 M488 G489 Y500 L503 | S482-A486 WeakPolarHBondContact O-CB 3.06Å; S482-A486 PolarHBondContact O-N 3.05Å; K483-A486 PolarHBondContact O-N 3.44Å; A486-M488 VanDerWaalsContact C-N 3.28Å; A486-M488 PolarHBondContact O-N 2.97Å; A486-G489 PolarHBondContact O-N 3.2Å; A486-Y500 HydrophobicContact CB-CE1 4.3Å; A486-Y500 HydrophobicContact CB-CE2 4.47Å; A486-L503 HydrophobicContact CB-CD1 4.4Å |
| 487 | S | 93.8 | Very high | 92.2 | Very high | 98 Ų | 98 | 65.4 Ų | 65.4 | 69% | 0.685 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -73.2 | -16.7 | 177 | 73.6 | 0 | 0 | 0 | 0 | 114.2 | K483 R484 V485 G489 | K483-S487 WeakPolarHBondContact O-CB 3.33Å; K483-S487 PolarHBondContact O-N 2.92Å; R484-S487 PolarHBondContact O-N 3.41Å; R484-S487 PolarHBondContact O-OG 2.79Å; V485-S487 PolarHBondContact O-N 3.43Å; S487-G489 PolarHBondContact O-N 3.38Å |
| 488 | M | 90.3 | Very high | 92.2 | Very high | 33 Ų | 33 | 64.9 Ų | 64.9 | 16% | 0.163 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15 | 174.4 | -57.6 | 172.9 | 71.9 | 0 | 0 | 112.4 | D456 P458 V485 A486 E490 E491 A492 | D456-M488 WeakPolarHBondContact O-CE 3.45Å; P458-M488 HydrophobicContact CB-CE 4.39Å; P458-M488 HydrophobicContact CB-SD 4.08Å; V485-M488 WeakPolarHBondContact O-CB 3.36Å; V485-M488 PolarHBondContact O-N 3.03Å; A486-M488 VanDerWaalsContact C-N 3.28Å; A486-M488 PolarHBondContact O-N 2.97Å; M488-E490 PolarHBondContact O-N 3.43Å; M488-E491 HydrophobicContact CB-CB 4.49Å; M488-E491 PolarHBondContact O-N 3.27Å; M488-A492 HydrophobicContact CB-CB 4.26Å |
| 489 | G | 90 | Very high | 92.2 | Very high | 26 Ų | 26 | 64.9 Ų | 64.9 | 27% | 0.268 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | 62.3 | -129.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A486 S487 E491 A492 | A486-G489 PolarHBondContact O-N 3.2Å; S487-G489 PolarHBondContact O-N 3.38Å; G489-E491 PolarHBondContact O-N 3.44Å; G489-A492 PolarHBondContact O-N 3.3Å |
| 490 | E | 83.3 | Confident | 92.2 | Very high | 185 Ų | 185 | 65.3 Ų | 65.3 | 86% | 0.864 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -65.6 | -23.5 | -177.3 | -64.7 | -170.5 | 172.1 | 0 | 0 | 113.5 | M488 A492 R493 | M488-E490 PolarHBondContact O-N 3.43Å; E490-A492 PolarHBondContact O-N 3.29Å; E490-R493 PolarHBondContact O-N 3.31Å; E490-R493 VanDerWaalsContact O-N 3.12Å |
| 491 | E | 84.9 | Confident | 92.3 | Very high | 140 Ų | 140 | 61.1 Ų | 61.1 | 65% | 0.654 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -64 | -27.3 | 178.9 | -63.1 | -179.5 | 172 | 0 | 0 | 112.2 | M488 G489 R493 | M488-E491 HydrophobicContact CB-CB 4.49Å; M488-E491 PolarHBondContact O-N 3.27Å; G489-E491 PolarHBondContact O-N 3.44Å; E491-R493 VanDerWaalsContact C-N 3.26Å; E491-R493 PolarHBondContact O-N 3.29Å |
| 492 | A | 82.8 | Confident | 92.4 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -72.4 | -16.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | P458 V485 M488 G489 E490 E494 F495 L496 | P458-A492 HydrophobicContact CB-CB 4.34Å; V485-A492 HydrophobicContact CG1-CB 4.04Å; M488-A492 HydrophobicContact CB-CB 4.26Å; G489-A492 PolarHBondContact O-N 3.3Å; E490-A492 PolarHBondContact O-N 3.29Å; A492-E494 PolarHBondContact O-N 3.37Å; A492-F495 HydrophobicContact CB-CB 4.47Å; A492-F495 WeakPolarHBondContact O-CB 3.35Å; A492-F495 PolarHBondContact O-N 3.11Å; A492-L496 HydrophobicContact CB-CB 4.07Å |
| 493 | R | 88.1 | Confident | 92.4 | Very high | 207 Ų | 207 | 61 Ų | 61 | 78% | 0.781 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | -119.4 | 178.6 | -57.3 | 179.2 | -175.7 | 176.2 | 2.1 | 112.3 | E490 E491 F495 L496 | E490-R493 PolarHBondContact O-N 3.31Å; E490-R493 VanDerWaalsContact O-N 3.12Å; E491-R493 VanDerWaalsContact C-N 3.26Å; E491-R493 PolarHBondContact O-N 3.29Å; R493-F495 PolarHBondContact O-N 3.47Å; R493-L496 WeakPolarHBondContact O-CB 3.38Å; R493-L496 PolarHBondContact O-N 3.12Å; R493-L496 VanDerWaalsContact O-N 3.13Å |
| 494 | E | 88.4 | Confident | 92.5 | Very high | 172 Ų | 172 | 56.5 Ų | 56.5 | 80% | 0.804 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.3 | -179.6 | -62.3 | 176.2 | -175.8 | 0 | 0 | 113.5 | A492 | A492-E494 PolarHBondContact O-N 3.37Š|
| 495 | F | 92.1 | Very high | 92.7 | Very high | 73 Ų | 73 | 52.3 Ų | 52.3 | 32% | 0.32 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -81.8 | -13.3 | 178 | -63.5 | -83.4 | 0 | 0 | 0 | 113.1 | P458 M462 V485 A492 R493 R498 A499 | P458-F495 HydrophobicContact CB-CB 3.93Å; P458-F495 HydrophobicContact CB-CD2 4.19Å; P458-F495 HydrophobicContact CB-CG 4.11Å; P458-F495 HydrophobicContact CG-CB 4.07Å; P458-F495 HydrophobicContact CG-CD2 3.47Å; P458-F495 VanDerWaalsContact CG-CD2 3.47Å; P458-F495 HydrophobicContact CG-CE2 4.11Å; P458-F495 HydrophobicContact CG-CG 3.9Å; M462-F495 HydrophobicContact CB-CD1 4.37Å; M462-F495 HydrophobicContact CG-CD1 4.07Å; V485-F495 HydrophobicContact CG1-CB 4.28Å; A492-F495 HydrophobicContact CB-CB 4.47Å; A492-F495 WeakPolarHBondContact O-CB 3.35Å; A492-F495 PolarHBondContact O-N 3.11Å; R493-F495 PolarHBondContact O-N 3.47Å; F495-R498 PolarHBondContact O-N 2.94Å; F495-A499 WeakPolarHBondContact O-CB 3.03Å; F495-A499 PolarHBondContact O-N 3.28Å |
| 496 | L | 94.8 | Very high | 92.8 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67 | -51.2 | -179.6 | -175.9 | 69.5 | 0 | 0 | 0 | 112.6 | A492 R493 R498 A499 Y500 L537 | A492-L496 HydrophobicContact CB-CB 4.07Å; R493-L496 WeakPolarHBondContact O-CB 3.38Å; R493-L496 PolarHBondContact O-N 3.12Å; R493-L496 VanDerWaalsContact O-N 3.13Å; L496-R498 PolarHBondContact O-N 3.33Å; L496-A499 PolarHBondContact O-N 2.75Å; L496-Y500 HydrophobicContact CD1-CD2 4.35Å; L496-Y500 HydrophobicContact CD1-CE2 3.83Å; L496-Y500 HydrophobicContact CG-CD2 4.38Å; L496-Y500 HydrophobicContact CG-CE2 4.14Å; L496-Y500 WeakPolarHBondContact O-CD2 3.49Å; L496-Y500 PolarHBondContact O-N 3.27Å; L496-L537 HydrophobicContact CD2-CD1 4.06Å; L496-L537 HydrophobicContact CD2-CD2 4.41Å; L496-L537 HydrophobicContact CG-CD1 3.97Å |
| 497 | P | 95.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.9 | -39.3 | 170.9 | -18.3 | 27 | 0 | 0 | 0 | 111.9 | A499 Y500 L501 L537 D538 I544 | P497-A499 PolarHBondContact O-N 2.92Å; P497-Y500 PolarHBondContact O-N 3.15Å; P497-L501 PolarHBondContact O-N 2.73Å; P497-L537 HydrophobicContact CB-CB 4.21Å; P497-L537 HydrophobicContact CG-CB 3.86Å; P497-D538 HydrophobicContact CB-CB 3.87Å; P497-D538 HydrophobicContact CG-CB 3.77Å; P497-I544 HydrophobicContact CB-CD1 3.88Å |
| 498 | R | 95.1 | Very high | 93.1 | Very high | 57 Ų | 57 | 48 Ų | 48 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.2 | -35 | -179.4 | -148.9 | 72.2 | -177.3 | 179.1 | -3.5 | 113.4 | F495 L496 L501 A502 D541 Q543 L867 | F495-R498 PolarHBondContact O-N 2.94Å; L496-R498 PolarHBondContact O-N 3.33Å; R498-L501 WeakPolarHBondContact O-CB 3.33Å; R498-L501 PolarHBondContact O-N 3.48Å; R498-A502 WeakPolarHBondContact O-CB 3.49Å; R498-A502 PolarHBondContact O-N 3.27Å; R498-D541 IonicContact NH1-OD2 2.72Å; R498-D541 PolarHBondContact NH1-OD2 3.49Å; R498-Q543 VanDerWaalsContact CZ-OE1 3.28Å; R498-Q543 VanDerWaalsContact NH2-NE2 3.15Å; R498-L867 PolarHBondContact NH2-OXT 3.27Å |
| 499 | A | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M462 V485 F495 L496 P497 A502 L503 | M462-A499 HydrophobicContact CE-CB 4.35Å; M462-A499 HydrophobicContact SD-CB 3.99Å; V485-A499 HydrophobicContact CB-CB 3.97Å; V485-A499 HydrophobicContact CG1-CB 3.81Å; F495-A499 WeakPolarHBondContact O-CB 3.03Å; F495-A499 PolarHBondContact O-N 3.28Å; L496-A499 PolarHBondContact O-N 2.75Å; P497-A499 PolarHBondContact O-N 2.92Å; A499-A502 WeakPolarHBondContact O-CB 3.42Å; A499-A502 PolarHBondContact O-N 3.38Å; A499-L503 WeakPolarHBondContact O-CG 3.29Å; A499-L503 PolarHBondContact O-N 2.91Å |
| 500 | Y | 97.3 | Very high | 93.6 | Very high | 38 Ų | 38 | 47.4 Ų | 47.4 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.6 | -35.1 | 174 | -77.5 | -63.4 | 0 | 0 | 0 | 112.8 | A486 L496 P497 L503 G504 K533 L537 | A486-Y500 HydrophobicContact CB-CE1 4.3Å; A486-Y500 HydrophobicContact CB-CE2 4.47Å; L496-Y500 HydrophobicContact CD1-CD2 4.35Å; L496-Y500 HydrophobicContact CD1-CE2 3.83Å; L496-Y500 HydrophobicContact CG-CD2 4.38Å; L496-Y500 HydrophobicContact CG-CE2 4.14Å; L496-Y500 WeakPolarHBondContact O-CD2 3.49Å; L496-Y500 PolarHBondContact O-N 3.27Å; P497-Y500 PolarHBondContact O-N 3.15Å; Y500-L503 HydrophobicContact CD1-CD1 4Å; Y500-L503 HydrophobicContact CE1-CD1 4.23Å; Y500-L503 PolarHBondContact O-N 3.23Å; Y500-G504 PolarHBondContact O-N 3.16Å; Y500-K533 HydrophobicContact CD1-CB 4.47Å; Y500-K533 HydrophobicContact CD1-CD 4.02Å; Y500-K533 HydrophobicContact CD1-CG 4.35Å; Y500-K533 HydrophobicContact CD2-CD 4.25Å; Y500-K533 HydrophobicContact CD2-CG 4.17Å; Y500-K533 HydrophobicContact CE1-CD 3.65Å; Y500-K533 HydrophobicContact CE1-CG 4.44Å; Y500-K533 HydrophobicContact CE2-CD 3.85Å; Y500-K533 HydrophobicContact CE2-CG 4.2Å; Y500-K533 HydrophobicContact CG-CB 4.47Å; Y500-K533 HydrophobicContact CG-CD 4.33Å; Y500-K533 HydrophobicContact CG-CG 4.25Å; Y500-K533 VanDerWaalsContact CZ-CE 3.41Å; Y500-K533 WeakPolarHBondContact OH-CE 3.48Å; Y500-K533 PolarHBondContact OH-NZ 3.24Å; Y500-L537 HydrophobicContact CD2-CD1 3.53Å; Y500-L537 HydrophobicContact CE2-CD1 3.85Å |
| 501 | L | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 169.8 | 177.5 | 62.5 | 0 | 0 | 0 | 111 | P497 R498 L503 G504 L505 L531 A534 I544 Y547 L867 | P497-L501 PolarHBondContact O-N 2.73Å; R498-L501 WeakPolarHBondContact O-CB 3.33Å; R498-L501 PolarHBondContact O-N 3.48Å; L501-L503 VanDerWaalsContact C-N 3.31Å; L501-L503 PolarHBondContact O-N 3.27Å; L501-G504 PolarHBondContact O-N 2.95Å; L501-G504 VanDerWaalsContact O-N 3.11Å; L501-L505 HydrophobicContact CD1-CD1 4.32Å; L501-L505 HydrophobicContact CD1-CG 4.29Å; L501-L505 HydrophobicContact CG-CD1 4.18Å; L501-L505 WeakPolarHBondContact O-CG 3.06Å; L501-L505 PolarHBondContact O-N 2.84Å; L501-L531 HydrophobicContact CD1-CD2 3.6Å; L501-A534 HydrophobicContact CB-CB 4.48Å; L501-I544 HydrophobicContact CB-CG1 4.37Å; L501-I544 HydrophobicContact CD1-CG1 4.35Å; L501-I544 HydrophobicContact CD2-CG1 4.03Å; L501-I544 HydrophobicContact CG-CG1 4.47Å; L501-Y547 HydrophobicContact CD1-CD2 3.78Å; L501-Y547 HydrophobicContact CD1-CG 4.32Å; L501-L867 HydrophobicContact CD2-CD2 4.02Å; L501-L867 HydrophobicContact CG-CD2 4.07Å |
| 502 | A | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I469 S482 R498 A499 S506 L867 | I469-A502 HydrophobicContact CD1-CB 4.32Å; I469-A502 WeakPolarHBondContact CD1-O 3.2Å; S482-A502 VanDerWaalsContact OG-CB 3.25Å; S482-A502 WeakPolarHBondContact OG-CB 3.32Å; R498-A502 WeakPolarHBondContact O-CB 3.49Å; R498-A502 PolarHBondContact O-N 3.27Å; A499-A502 WeakPolarHBondContact O-CB 3.42Å; A499-A502 PolarHBondContact O-N 3.38Å; A502-S506 WeakPolarHBondContact O-CB 3.47Å; A502-S506 PolarHBondContact O-N 3.31Å; A502-S506 PolarHBondContact O-OG 3.01Å; A502-L867 HydrophobicContact CB-CD1 3.55Å; A502-L867 HydrophobicContact CB-CD2 4.08Å; A502-L867 HydrophobicContact CB-CG 4.32Å |
| 503 | L | 97.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 173.2 | -73.1 | 169.6 | 0 | 0 | 0 | 111.9 | E479 K483 A486 A499 Y500 L501 L505 S506 F507 A530 | E479-L503 HydrophobicContact CG-CD2 4.09Å; K483-L503 HydrophobicContact CG-CD1 4.43Å; K483-L503 HydrophobicContact CG-CD2 3.8Å; A486-L503 HydrophobicContact CB-CD1 4.4Å; A499-L503 WeakPolarHBondContact O-CG 3.29Å; A499-L503 PolarHBondContact O-N 2.91Å; Y500-L503 HydrophobicContact CD1-CD1 4Å; Y500-L503 HydrophobicContact CE1-CD1 4.23Å; Y500-L503 PolarHBondContact O-N 3.23Å; L501-L503 VanDerWaalsContact C-N 3.31Å; L501-L503 PolarHBondContact O-N 3.27Å; L503-L505 PolarHBondContact O-N 3.45Å; L503-S506 PolarHBondContact O-N 3.35Å; L503-F507 HydrophobicContact CB-CE2 4.31Å; L503-F507 WeakPolarHBondContact O-CD2 3.39Å; L503-F507 WeakPolarHBondContact O-CG 3.32Å; L503-F507 PolarHBondContact O-N 3.41Å; L503-A530 HydrophobicContact CB-CB 4.14Å |
| 504 | G | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.5 | -47.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y500 L501 F507 S508 A527 | Y500-G504 PolarHBondContact O-N 3.16Å; L501-G504 PolarHBondContact O-N 2.95Å; L501-G504 VanDerWaalsContact O-N 3.11Å; G504-F507 PolarHBondContact O-N 3Å; G504-S508 WeakPolarHBondContact O-CB 3.46Å; G504-S508 PolarHBondContact O-N 3.19Å; G504-A527 WeakPolarHBondContact O-CB 3.36Å |
| 505 | L | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 176.6 | -65.7 | 175.4 | 0 | 0 | 0 | 111.8 | I469 L501 L503 F507 S508 L509 Y547 R865 L867 | I469-L505 HydrophobicContact CD1-CB 4.22Å; L501-L505 HydrophobicContact CD1-CD1 4.32Å; L501-L505 HydrophobicContact CD1-CG 4.29Å; L501-L505 HydrophobicContact CG-CD1 4.18Å; L501-L505 WeakPolarHBondContact O-CG 3.06Å; L501-L505 PolarHBondContact O-N 2.84Å; L503-L505 PolarHBondContact O-N 3.45Å; L505-F507 PolarHBondContact O-N 2.93Å; L505-S508 WeakPolarHBondContact O-CB 3.42Å; L505-S508 PolarHBondContact O-N 2.89Å; L505-L509 WeakPolarHBondContact O-CB 3.38Å; L505-L509 WeakPolarHBondContact O-CD1 3.35Å; L505-L509 WeakPolarHBondContact O-CG 3.37Å; L505-L509 PolarHBondContact O-N 3.24Å; L505-Y547 HydrophobicContact CD1-CD2 4.39Å; L505-Y547 HydrophobicContact CD1-CE2 4.12Å; L505-Y547 HydrophobicContact CD2-CD1 3.66Å; L505-Y547 HydrophobicContact CD2-CD2 4.04Å; L505-Y547 HydrophobicContact CD2-CE1 3.91Å; L505-Y547 HydrophobicContact CD2-CE2 4.17Å; L505-Y547 HydrophobicContact CD2-CG 3.74Å; L505-R865 HydrophobicContact CD2-CB 4.04Å; L505-R865 HydrophobicContact CD2-CG 4.34Å; L505-L867 HydrophobicContact CD1-CD2 3.89Å; L505-L867 HydrophobicContact CD1-CG 3.94Å |
| 506 | S | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | I469 A478 A502 L503 L509 Q510 | I469-S506 WeakPolarHBondContact CD1-OG 3.3Å; A478-S506 WeakPolarHBondContact CB-OG 3.29Å; A502-S506 WeakPolarHBondContact O-CB 3.47Å; A502-S506 PolarHBondContact O-N 3.31Å; A502-S506 PolarHBondContact O-OG 3.01Å; L503-S506 PolarHBondContact O-N 3.35Å; S506-L509 PolarHBondContact O-N 3.38Å; S506-Q510 WeakPolarHBondContact O-CB 3.44Å; S506-Q510 VanDerWaalsContact O-CG 3.25Å; S506-Q510 WeakPolarHBondContact O-CG 3.38Å; S506-Q510 PolarHBondContact O-N 2.73Å |
| 507 | F | 97.6 | Very high | 94 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 9% | 0.088 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -38.8 | 176.2 | -67.3 | -44 | 0 | 0 | 0 | 112.8 | E479 L503 G504 L505 L509 Q510 A511 L523 K526 A527 | E479-F507 HydrophobicContact CG-CE1 4.07Å; E479-F507 HydrophobicContact CG-CZ 4.2Å; E479-F507 WeakPolarHBondContact OE1-CE1 3.41Å; L503-F507 HydrophobicContact CB-CE2 4.31Å; L503-F507 WeakPolarHBondContact O-CD2 3.39Å; L503-F507 WeakPolarHBondContact O-CG 3.32Å; L503-F507 PolarHBondContact O-N 3.41Å; G504-F507 PolarHBondContact O-N 3Å; L505-F507 PolarHBondContact O-N 2.93Å; F507-L509 VanDerWaalsContact C-N 3.35Å; F507-L509 PolarHBondContact O-N 2.89Å; F507-Q510 PolarHBondContact O-N 3.33Å; F507-A511 WeakPolarHBondContact O-CB 3.36Å; F507-A511 PolarHBondContact O-N 3.24Å; F507-L523 HydrophobicContact CD1-CD2 3.95Å; F507-K526 HydrophobicContact CB-CB 4.47Å; F507-K526 HydrophobicContact CD1-CB 4.44Å; F507-K526 HydrophobicContact CD2-CB 3.73Å; F507-K526 HydrophobicContact CE1-CD 4.39Å; F507-K526 HydrophobicContact CE2-CB 4.01Å; F507-K526 HydrophobicContact CG-CB 3.98Å; F507-K526 HydrophobicContact CZ-CB 4.48Å; F507-K526 HydrophobicContact CZ-CD 4.47Å; F507-A527 HydrophobicContact CB-CB 3.8Å |
| 508 | S | 96.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | G504 L505 A511 S512 Q551 R865 | G504-S508 WeakPolarHBondContact O-CB 3.46Å; G504-S508 PolarHBondContact O-N 3.19Å; L505-S508 WeakPolarHBondContact O-CB 3.42Å; L505-S508 PolarHBondContact O-N 2.89Å; S508-A511 WeakPolarHBondContact O-CB 3.27Å; S508-A511 PolarHBondContact O-N 2.98Å; S508-S512 PolarHBondContact O-N 3.04Å; S508-S512 PolarHBondContact O-OG 3.22Å; S508-S512 VanDerWaalsContact O-OG 3.09Å; S508-Q551 PolarHBondContact OG-OE1 3.18Å; S508-R865 PolarHBondContact O-NH1 3.14Å; S508-R865 WeakPolarHBondContact OG-CD 3.43Å; S508-R865 PolarHBondContact OG-NH1 2.69Å |
| 509 | L | 95.6 | Very high | 93.6 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 12% | 0.115 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.4 | -45.7 | 178.4 | -73.3 | 159.1 | 0 | 0 | 0 | 111.4 | I469 F475 L505 S506 F507 A511 S512 E513 R865 | I469-L509 HydrophobicContact CG2-CD1 3.66Å; F475-L509 HydrophobicContact CD1-CB 3.87Å; F475-L509 HydrophobicContact CD1-CD1 3.98Å; F475-L509 HydrophobicContact CD2-CB 4.2Å; F475-L509 HydrophobicContact CE1-CB 3.71Å; F475-L509 HydrophobicContact CE1-CD1 3.55Å; F475-L509 HydrophobicContact CE1-CD2 4.34Å; F475-L509 HydrophobicContact CE1-CG 4.06Å; F475-L509 HydrophobicContact CE2-CB 4.02Å; F475-L509 HydrophobicContact CG-CB 4.13Å; F475-L509 HydrophobicContact CZ-CB 3.77Å; F475-L509 HydrophobicContact CZ-CD1 4.23Å; F475-L509 HydrophobicContact CZ-CD2 4.21Å; F475-L509 HydrophobicContact CZ-CG 4.29Å; L505-L509 WeakPolarHBondContact O-CB 3.38Å; L505-L509 WeakPolarHBondContact O-CD1 3.35Å; L505-L509 WeakPolarHBondContact O-CG 3.37Å; L505-L509 PolarHBondContact O-N 3.24Å; S506-L509 PolarHBondContact O-N 3.38Å; F507-L509 VanDerWaalsContact C-N 3.35Å; F507-L509 PolarHBondContact O-N 2.89Å; L509-A511 PolarHBondContact O-N 3.4Å; L509-S512 WeakPolarHBondContact O-CA 3.47Å; L509-S512 WeakPolarHBondContact O-CB 3.45Å; L509-S512 PolarHBondContact O-N 3.39Å; L509-E513 PolarHBondContact O-N 2.71Å; L509-R865 HydrophobicContact CD1-CB 4.22Å; L509-R865 HydrophobicContact CD2-CB 4.2Å; L509-R865 HydrophobicContact CG-CB 4.24Å |
| 510 | Q | 95.2 | Very high | 93.4 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.3 | -37.1 | 172.1 | -71 | 176.3 | 9.5 | 0 | 0 | 111.9 | F475 E479 S506 F507 S512 E513 A514 L523 | F475-Q510 HydrophobicContact CB-CG 3.6Å; F475-Q510 HydrophobicContact CD2-CG 4.38Å; F475-Q510 HydrophobicContact CG-CG 4.33Å; F475-Q510 PolarHBondContact O-NE2 3.16Å; E479-Q510 PolarHBondContact OE2-NE2 3.19Å; S506-Q510 WeakPolarHBondContact O-CB 3.44Å; S506-Q510 VanDerWaalsContact O-CG 3.25Å; S506-Q510 WeakPolarHBondContact O-CG 3.38Å; S506-Q510 PolarHBondContact O-N 2.73Å; F507-Q510 PolarHBondContact O-N 3.33Å; Q510-S512 PolarHBondContact O-N 3.25Å; Q510-E513 PolarHBondContact O-N 3.34Å; Q510-A514 PolarHBondContact O-N 3.39Å; Q510-L523 HydrophobicContact CB-CD1 3.96Å; Q510-L523 HydrophobicContact CB-CD2 4.26Å |
| 511 | A | 93.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -31 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F507 S508 L509 R520 L523 N524 | F507-A511 WeakPolarHBondContact O-CB 3.36Å; F507-A511 PolarHBondContact O-N 3.24Å; S508-A511 WeakPolarHBondContact O-CB 3.27Å; S508-A511 PolarHBondContact O-N 2.98Å; L509-A511 PolarHBondContact O-N 3.4Å; A511-R520 HydrophobicContact CB-CG 4.36Å; A511-R520 WeakPolarHBondContact O-CG 3.33Å; A511-L523 HydrophobicContact CB-CB 3.71Å; A511-N524 WeakPolarHBondContact CB-OD1 3.47Å |
| 512 | S | 90.5 | Very high | 93.1 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 46% | 0.462 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73 | -30.4 | 176.7 | -52.4 | 0 | 0 | 0 | 0 | 112.4 | S508 L509 Q510 R865 | S508-S512 PolarHBondContact O-N 3.04Å; S508-S512 PolarHBondContact O-OG 3.22Å; S508-S512 VanDerWaalsContact O-OG 3.09Å; L509-S512 WeakPolarHBondContact O-CA 3.47Å; L509-S512 WeakPolarHBondContact O-CB 3.45Å; L509-S512 PolarHBondContact O-N 3.39Å; Q510-S512 PolarHBondContact O-N 3.25Å; S512-R865 PolarHBondContact OG-NH1 3.03Å; S512-R865 PolarHBondContact OG-NH2 2.79Å |
| 513 | E | 88.8 | Confident | 93.1 | Very high | 125 Ų | 125 | 44.8 Ų | 44.8 | 58% | 0.584 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -86.6 | -15.1 | 175.8 | -65.7 | -171.6 | 152.1 | 0 | 0 | 113.7 | F475 L509 Q510 T515 | F475-E513 WeakPolarHBondContact CD2-OE2 3.11Å; F475-E513 VanDerWaalsContact CE2-CD 3.5Å; F475-E513 HydrophobicContact CE2-CG 4.36Å; F475-E513 WeakPolarHBondContact CE2-OE1 3.39Å; F475-E513 WeakPolarHBondContact CE2-OE2 3.32Å; L509-E513 PolarHBondContact O-N 2.71Å; Q510-E513 PolarHBondContact O-N 3.34Å; E513-T515 PolarHBondContact O-N 2.88Å |
| 514 | A | 90.7 | Very high | 93 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | trans | -64 | 129 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q510 D519 R520 L523 | Q510-A514 PolarHBondContact O-N 3.39Å; A514-D519 HydrophobicContact CB-CB 4.43Å; A514-R520 HydrophobicContact CB-CB 4.11Å; A514-R520 PolarHBondContact O-NH2 3.49Å; A514-L523 HydrophobicContact CB-CD1 4.17Å | ||
| 515 | T | 85.4 | Confident | 93 | Very high | 108 Ų | 108 | 52.1 Ų | 52.1 | 66% | 0.663 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -81.3 | -36.8 | 179.2 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | E513 | E513-T515 PolarHBondContact O-N 2.88Š|
| 516 | L | 87.3 | Confident | 93 | Very high | 100 Ų | 100 | 55.6 Ų | 55.6 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -88.3 | 135.8 | -179.7 | -60.6 | 178.2 | 0 | 0 | 0 | 111.3 | A518 D519 R520 | L516-A518 VanDerWaalsContact C-N 3.3Å; L516-A518 PolarHBondContact O-N 3.22Å; L516-D519 HydrophobicContact CB-CB 4.33Å; L516-D519 PolarHBondContact O-N 3.04Å; L516-R520 WeakPolarHBondContact O-CB 3.48Å; L516-R520 PolarHBondContact O-N 3.33Å |
| 517 | S | 86 | Confident | 93 | Very high | 66 Ų | 66 | 55.6 Ų | 55.6 | 46% | 0.462 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -33.1 | 178.9 | 63.3 | 0 | 0 | 0 | 0 | 113 | N521 | S517-N521 WeakPolarHBondContact O-CB 3.19Å; S517-N521 PolarHBondContact O-N 2.83Å; S517-N521 PolarHBondContact O-ND2 3.47Å |
| 518 | A | 89.6 | Confident | 93 | Very high | 63 Ų | 63 | 55.8 Ų | 55.8 | 52% | 0.521 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63 | -51.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L516 R520 N521 E522 | L516-A518 VanDerWaalsContact C-N 3.3Å; L516-A518 PolarHBondContact O-N 3.22Å; A518-R520 VanDerWaalsContact C-N 3.34Å; A518-R520 PolarHBondContact O-N 2.93Å; A518-N521 PolarHBondContact O-N 3.22Å; A518-E522 PolarHBondContact O-N 3.47Å |
| 519 | D | 91.6 | Very high | 93.1 | Very high | 73 Ų | 73 | 62.1 Ų | 62.1 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 178.1 | -60.9 | -8.7 | 0 | 0 | 0 | 111 | A514 L516 N521 E522 L523 | A514-D519 HydrophobicContact CB-CB 4.43Å; L516-D519 HydrophobicContact CB-CB 4.33Å; L516-D519 PolarHBondContact O-N 3.04Å; D519-N521 VanDerWaalsContact C-N 3.33Å; D519-N521 PolarHBondContact O-N 3.19Å; D519-E522 PolarHBondContact O-N 3.28Å; D519-L523 WeakPolarHBondContact O-CB 3.42Å; D519-L523 VanDerWaalsContact O-CG 3.3Å; D519-L523 WeakPolarHBondContact O-CG 3.49Å; D519-L523 PolarHBondContact O-N 2.89Å |
| 520 | R | 92.2 | Very high | 93.2 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.9 | -45.9 | 174.9 | -175.6 | 178.2 | -52 | 135.1 | 4.5 | 111.9 | A511 A514 L516 A518 L523 N524 Q817 V818 | A511-R520 HydrophobicContact CB-CG 4.36Å; A511-R520 WeakPolarHBondContact O-CG 3.33Å; A514-R520 HydrophobicContact CB-CB 4.11Å; A514-R520 PolarHBondContact O-NH2 3.49Å; L516-R520 WeakPolarHBondContact O-CB 3.48Å; L516-R520 PolarHBondContact O-N 3.33Å; A518-R520 VanDerWaalsContact C-N 3.34Å; A518-R520 PolarHBondContact O-N 2.93Å; R520-L523 PolarHBondContact O-N 3.26Å; R520-N524 WeakPolarHBondContact O-CB 2.88Å; R520-N524 PolarHBondContact O-N 2.7Å; R520-N524 PolarHBondContact O-ND2 2.78Å; R520-Q817 PolarHBondContact NH1-O 3.44Å; R520-Q817 PolarHBondContact NH2-O 3.17Å; R520-V818 PolarHBondContact NH1-O 3.45Å; R520-V818 PolarHBondContact NH2-O 3.2Å; R520-V818 VanDerWaalsContact NH2-O 3.15Å |
| 521 | N | 92.4 | Very high | 93.3 | Very high | 85 Ų | 85 | 60.3 Ų | 60.3 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 178.6 | -72.4 | -24 | 0 | 0 | 0 | 112.2 | S517 A518 D519 K525 | S517-N521 WeakPolarHBondContact O-CB 3.19Å; S517-N521 PolarHBondContact O-N 2.83Å; S517-N521 PolarHBondContact O-ND2 3.47Å; A518-N521 PolarHBondContact O-N 3.22Å; D519-N521 VanDerWaalsContact C-N 3.33Å; D519-N521 PolarHBondContact O-N 3.19Å; N521-K525 VanDerWaalsContact O-CG 3.28Å; N521-K525 WeakPolarHBondContact O-CG 3.49Å; N521-K525 PolarHBondContact O-N 3.27Å; N521-K525 VanDerWaalsContact O-N 3.09Å |
| 522 | E | 96.1 | Very high | 93.4 | Very high | 101 Ų | 101 | 64.1 Ų | 64.1 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 175.5 | -168.2 | -175.3 | 152.6 | 0 | 0 | 111.7 | A518 D519 K525 K526 | A518-E522 PolarHBondContact O-N 3.47Å; D519-E522 PolarHBondContact O-N 3.28Å; E522-K525 WeakPolarHBondContact O-CB 3.3Å; E522-K525 PolarHBondContact O-N 3.35Å; E522-K526 WeakPolarHBondContact O-CG 3.37Å; E522-K526 PolarHBondContact O-N 3.14Å; E522-K526 WeakPolarHBondContact OE1-CE 3.46Å; E522-K526 IonicContact OE1-NZ 2.88Å; E522-K526 PolarHBondContact OE1-NZ 2.7Å |
| 523 | L | 96.8 | Very high | 93.7 | Very high | 27 Ų | 27 | 65.4 Ų | 65.4 | 14% | 0.141 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 177.4 | -71.2 | 167.1 | 0 | 0 | 0 | 111.7 | F507 Q510 A511 A514 D519 R520 K525 K526 A527 | F507-L523 HydrophobicContact CD1-CD2 3.95Å; Q510-L523 HydrophobicContact CB-CD1 3.96Å; Q510-L523 HydrophobicContact CB-CD2 4.26Å; A511-L523 HydrophobicContact CB-CB 3.71Å; A514-L523 HydrophobicContact CB-CD1 4.17Å; D519-L523 WeakPolarHBondContact O-CB 3.42Å; D519-L523 VanDerWaalsContact O-CG 3.3Å; D519-L523 WeakPolarHBondContact O-CG 3.49Å; D519-L523 PolarHBondContact O-N 2.89Å; R520-L523 PolarHBondContact O-N 3.26Å; L523-K525 VanDerWaalsContact C-N 3.3Å; L523-K525 PolarHBondContact O-N 3.02Å; L523-K526 PolarHBondContact O-N 3.24Å; L523-A527 WeakPolarHBondContact O-CB 3.21Å; L523-A527 PolarHBondContact O-N 3.23Å |
| 524 | N | 95.7 | Very high | 94.1 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 14% | 0.139 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 174.1 | -81.2 | -33.3 | 0 | 0 | 0 | 112.5 | A511 R520 A527 L528 Q551 V555 | A511-N524 WeakPolarHBondContact CB-OD1 3.47Å; R520-N524 WeakPolarHBondContact O-CB 2.88Å; R520-N524 PolarHBondContact O-N 2.7Å; R520-N524 PolarHBondContact O-ND2 2.78Å; N524-A527 PolarHBondContact O-N 3.09Å; N524-L528 WeakPolarHBondContact O-CG 3.42Å; N524-L528 PolarHBondContact O-N 3.35Å; N524-Q551 PolarHBondContact OD1-NE2 2.78Å; N524-V555 HydrophobicContact CB-CG2 3.95Å |
| 525 | K | 96.7 | Very high | 94.3 | Very high | 137 Ų | 137 | 60.5 Ų | 60.5 | 60% | 0.596 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.2 | -45.9 | 173.5 | -74 | 170.7 | -177 | 178.8 | 0 | 111.6 | N521 E522 L523 A527 L528 Q529 | N521-K525 VanDerWaalsContact O-CG 3.28Å; N521-K525 WeakPolarHBondContact O-CG 3.49Å; N521-K525 PolarHBondContact O-N 3.27Å; N521-K525 VanDerWaalsContact O-N 3.09Å; E522-K525 WeakPolarHBondContact O-CB 3.3Å; E522-K525 PolarHBondContact O-N 3.35Å; L523-K525 VanDerWaalsContact C-N 3.3Å; L523-K525 PolarHBondContact O-N 3.02Å; K525-A527 VanDerWaalsContact C-N 3.32Å; K525-A527 PolarHBondContact O-N 3.22Å; K525-L528 PolarHBondContact O-N 3.41Å; K525-Q529 VanDerWaalsContact O-CG 3.31Å; K525-Q529 WeakPolarHBondContact O-CG 3.48Å; K525-Q529 PolarHBondContact O-N 3.39Å |
| 526 | K | 97.6 | Very high | 94.8 | Very high | 77 Ų | 77 | 59.4 Ų | 59.4 | 34% | 0.335 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 176.1 | -71.4 | 176.1 | -176.1 | 164.9 | 0 | 111.8 | F507 E522 L523 Q529 A530 | F507-K526 HydrophobicContact CB-CB 4.47Å; F507-K526 HydrophobicContact CD1-CB 4.44Å; F507-K526 HydrophobicContact CD2-CB 3.73Å; F507-K526 HydrophobicContact CE1-CD 4.39Å; F507-K526 HydrophobicContact CE2-CB 4.01Å; F507-K526 HydrophobicContact CG-CB 3.98Å; F507-K526 HydrophobicContact CZ-CB 4.48Å; F507-K526 HydrophobicContact CZ-CD 4.47Å; E522-K526 WeakPolarHBondContact O-CG 3.37Å; E522-K526 PolarHBondContact O-N 3.14Å; E522-K526 WeakPolarHBondContact OE1-CE 3.46Å; E522-K526 IonicContact OE1-NZ 2.88Å; E522-K526 PolarHBondContact OE1-NZ 2.7Å; L523-K526 PolarHBondContact O-N 3.24Å; K526-Q529 PolarHBondContact O-N 2.72Å; K526-A530 WeakPolarHBondContact O-CB 3.41Å; K526-A530 PolarHBondContact O-N 3.34Å |
| 527 | A | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G504 F507 L523 N524 K525 Q529 A530 L531 Q551 | G504-A527 WeakPolarHBondContact O-CB 3.36Å; F507-A527 HydrophobicContact CB-CB 3.8Å; L523-A527 WeakPolarHBondContact O-CB 3.21Å; L523-A527 PolarHBondContact O-N 3.23Å; N524-A527 PolarHBondContact O-N 3.09Å; K525-A527 VanDerWaalsContact C-N 3.32Å; K525-A527 PolarHBondContact O-N 3.22Å; A527-Q529 VanDerWaalsContact C-N 3.35Å; A527-Q529 PolarHBondContact O-N 3.16Å; A527-A530 PolarHBondContact O-N 3.2Å; A527-L531 WeakPolarHBondContact O-CB 3.39Å; A527-L531 VanDerWaalsContact O-CG 3.31Å; A527-L531 WeakPolarHBondContact O-CG 3.5Å; A527-L531 PolarHBondContact O-N 3.45Å; A527-Q551 HydrophobicContact CB-CG 4.15Å |
| 528 | L | 97.5 | Very high | 95.6 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.12 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 176.6 | -76 | 172.5 | 0 | 0 | 0 | 112.5 | N524 K525 L531 N532 L548 Q551 L552 V555 | N524-L528 WeakPolarHBondContact O-CG 3.42Å; N524-L528 PolarHBondContact O-N 3.35Å; K525-L528 PolarHBondContact O-N 3.41Å; L528-L531 PolarHBondContact O-N 3.47Å; L528-N532 VanDerWaalsContact O-CB 3.27Å; L528-N532 WeakPolarHBondContact O-CB 3.15Å; L528-N532 VanDerWaalsContact O-CG 3.3Å; L528-N532 PolarHBondContact O-N 2.93Å; L528-N532 PolarHBondContact O-ND2 3.35Å; L528-L548 HydrophobicContact CD2-CD1 4.28Å; L528-Q551 HydrophobicContact CD2-CB 3.97Å; L528-Q551 HydrophobicContact CD2-CG 3.52Å; L528-Q551 HydrophobicContact CG-CG 3.74Å; L528-L552 HydrophobicContact CD1-CD2 4.46Å; L528-L552 HydrophobicContact CD2-CD2 3.64Å; L528-L552 HydrophobicContact CD2-CG 3.88Å; L528-V555 HydrophobicContact CD1-CG2 4.17Å |
| 529 | Q | 97.5 | Very high | 95.7 | Very high | 135 Ų | 135 | 58.3 Ų | 58.3 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 176.5 | -74 | 172.9 | -2.9 | 0 | 0 | 111.9 | K525 K526 A527 K533 | K525-Q529 VanDerWaalsContact O-CG 3.31Å; K525-Q529 WeakPolarHBondContact O-CG 3.48Å; K525-Q529 PolarHBondContact O-N 3.39Å; K526-Q529 PolarHBondContact O-N 2.72Å; A527-Q529 VanDerWaalsContact C-N 3.35Å; A527-Q529 PolarHBondContact O-N 3.16Å; Q529-K533 WeakPolarHBondContact O-CB 3.37Å; Q529-K533 PolarHBondContact O-N 2.78Å |
| 530 | A | 97.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66 | -43.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L503 K526 A527 K533 A534 | L503-A530 HydrophobicContact CB-CB 4.14Å; K526-A530 WeakPolarHBondContact O-CB 3.41Å; K526-A530 PolarHBondContact O-N 3.34Å; A527-A530 PolarHBondContact O-N 3.2Å; A530-K533 PolarHBondContact O-N 2.94Å; A530-A534 PolarHBondContact O-N 3.47Å |
| 531 | L | 97.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 178.8 | -68.4 | 170.3 | 0 | 0 | 0 | 112.6 | L501 A527 L528 K533 A534 N535 L548 Q551 | L501-L531 HydrophobicContact CD1-CD2 3.6Å; A527-L531 WeakPolarHBondContact O-CB 3.39Å; A527-L531 VanDerWaalsContact O-CG 3.31Å; A527-L531 WeakPolarHBondContact O-CG 3.5Å; A527-L531 PolarHBondContact O-N 3.45Å; L528-L531 PolarHBondContact O-N 3.47Å; L531-K533 VanDerWaalsContact C-N 3.29Å; L531-K533 PolarHBondContact O-N 3.16Å; L531-A534 WeakPolarHBondContact O-CB 3.43Å; L531-A534 PolarHBondContact O-N 3.5Å; L531-N535 WeakPolarHBondContact O-CB 3.41Å; L531-N535 PolarHBondContact O-N 3.48Å; L531-L548 HydrophobicContact CB-CB 4.34Å; L531-L548 HydrophobicContact CB-CD1 3.91Å; L531-Q551 HydrophobicContact CD1-CB 3.47Å; L531-Q551 VanDerWaalsContact CD1-CB 3.47Å; L531-Q551 HydrophobicContact CD1-CG 3.88Å |
| 532 | N | 97 | Very high | 95.9 | Very high | 83 Ų | 83 | 56.9 Ų | 56.9 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 172.9 | -79.5 | -45.3 | 0 | 0 | 0 | 111.4 | L528 N535 S536 L548 | L528-N532 VanDerWaalsContact O-CB 3.27Å; L528-N532 WeakPolarHBondContact O-CB 3.15Å; L528-N532 VanDerWaalsContact O-CG 3.3Å; L528-N532 PolarHBondContact O-N 2.93Å; L528-N532 PolarHBondContact O-ND2 3.35Å; N532-N535 PolarHBondContact O-N 3.09Å; N532-S536 WeakPolarHBondContact O-CB 3.28Å; N532-S536 PolarHBondContact O-N 3.37Å; N532-L548 WeakPolarHBondContact OD1-CD1 3.47Å; N532-L548 WeakPolarHBondContact OD1-CD2 3.21Å |
| 533 | K | 96.2 | Very high | 95.8 | Very high | 93 Ų | 93 | 53.8 Ų | 53.8 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.1 | -171.1 | 167.1 | -177.5 | -179.4 | 0 | 111.5 | Y500 Q529 A530 L531 N535 S536 L537 | Y500-K533 HydrophobicContact CD1-CB 4.47Å; Y500-K533 HydrophobicContact CD1-CD 4.02Å; Y500-K533 HydrophobicContact CD1-CG 4.35Å; Y500-K533 HydrophobicContact CD2-CD 4.25Å; Y500-K533 HydrophobicContact CD2-CG 4.17Å; Y500-K533 HydrophobicContact CE1-CD 3.65Å; Y500-K533 HydrophobicContact CE1-CG 4.44Å; Y500-K533 HydrophobicContact CE2-CD 3.85Å; Y500-K533 HydrophobicContact CE2-CG 4.2Å; Y500-K533 HydrophobicContact CG-CB 4.47Å; Y500-K533 HydrophobicContact CG-CD 4.33Å; Y500-K533 HydrophobicContact CG-CG 4.25Å; Y500-K533 VanDerWaalsContact CZ-CE 3.41Å; Y500-K533 WeakPolarHBondContact OH-CE 3.48Å; Y500-K533 PolarHBondContact OH-NZ 3.24Å; Q529-K533 WeakPolarHBondContact O-CB 3.37Å; Q529-K533 PolarHBondContact O-N 2.78Å; A530-K533 PolarHBondContact O-N 2.94Å; L531-K533 VanDerWaalsContact C-N 3.29Å; L531-K533 PolarHBondContact O-N 3.16Å; K533-N535 VanDerWaalsContact C-N 3.34Å; K533-N535 PolarHBondContact O-N 2.91Å; K533-S536 PolarHBondContact O-N 3.18Å; K533-S536 PolarHBondContact O-OG 3.33Å; K533-L537 HydrophobicContact CG-CD1 4.33Å; K533-L537 VanDerWaalsContact O-CG 3.32Å; K533-L537 WeakPolarHBondContact O-CG 3.24Å; K533-L537 PolarHBondContact O-N 3.16Å; K533-L537 VanDerWaalsContact O-N 3.14Å |
| 534 | A | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57 | -47.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L501 A530 L531 S536 L537 D538 I544 | L501-A534 HydrophobicContact CB-CB 4.48Å; A530-A534 PolarHBondContact O-N 3.47Å; L531-A534 WeakPolarHBondContact O-CB 3.43Å; L531-A534 PolarHBondContact O-N 3.5Å; A534-S536 VanDerWaalsContact C-N 3.3Å; A534-S536 PolarHBondContact O-N 3.14Å; A534-L537 PolarHBondContact O-N 2.87Å; A534-L537 VanDerWaalsContact O-N 3.15Å; A534-D538 PolarHBondContact O-N 2.94Å; A534-I544 HydrophobicContact CB-CD1 4.22Å; A534-I544 HydrophobicContact CB-CG2 3.66Å |
| 535 | N | 96.2 | Very high | 95.8 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 20% | 0.198 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -31.1 | -180 | -164.5 | 64 | 0 | 0 | 0 | 112.7 | L531 N532 K533 L537 D538 P539 I544 S545 L548 | L531-N535 WeakPolarHBondContact O-CB 3.41Å; L531-N535 PolarHBondContact O-N 3.48Å; N532-N535 PolarHBondContact O-N 3.09Å; K533-N535 VanDerWaalsContact C-N 3.34Å; K533-N535 PolarHBondContact O-N 2.91Å; N535-L537 VanDerWaalsContact C-N 3.34Å; N535-D538 CarbonylContact O-C 3.53Å; N535-P539 WeakPolarHBondContact O-CA 3.33Å; N535-P539 WeakPolarHBondContact O-CG 3.23Å; N535-I544 HydrophobicContact CB-CG2 3.86Å; N535-S545 PolarHBondContact OD1-OG 3.42Å; N535-L548 HydrophobicContact CB-CD2 4.06Å |
| 536 | S | 95.8 | Very high | 95.8 | Very high | 85 Ų | 85 | 45 Ų | 45 | 59% | 0.594 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -71.8 | -28.6 | 175 | 72.6 | 0 | 0 | 0 | 0 | 113.4 | N532 K533 A534 | N532-S536 WeakPolarHBondContact O-CB 3.28Å; N532-S536 PolarHBondContact O-N 3.37Å; K533-S536 PolarHBondContact O-N 3.18Å; K533-S536 PolarHBondContact O-OG 3.33Å; A534-S536 VanDerWaalsContact C-N 3.3Å; A534-S536 PolarHBondContact O-N 3.14Å |
| 537 | L | 94.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -82.8 | -37.4 | 179.3 | -67.2 | 169.6 | 0 | 0 | 0 | 111.5 | L496 P497 Y500 K533 A534 N535 | L496-L537 HydrophobicContact CD2-CD1 4.06Å; L496-L537 HydrophobicContact CD2-CD2 4.41Å; L496-L537 HydrophobicContact CG-CD1 3.97Å; P497-L537 HydrophobicContact CB-CB 4.21Å; P497-L537 HydrophobicContact CG-CB 3.86Å; Y500-L537 HydrophobicContact CD2-CD1 3.53Å; Y500-L537 HydrophobicContact CE2-CD1 3.85Å; K533-L537 HydrophobicContact CG-CD1 4.33Å; K533-L537 VanDerWaalsContact O-CG 3.32Å; K533-L537 WeakPolarHBondContact O-CG 3.24Å; K533-L537 PolarHBondContact O-N 3.16Å; K533-L537 VanDerWaalsContact O-N 3.14Å; A534-L537 PolarHBondContact O-N 2.87Å; A534-L537 VanDerWaalsContact O-N 3.15Å; N535-L537 VanDerWaalsContact C-N 3.34Å |
| 538 | D | 93.9 | Very high | 95.8 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | trans | -138.4 | 90 | 174.3 | -173.1 | 3.8 | 0 | 0 | 0 | 111.4 | P497 A534 N535 L540 D541 I544 | P497-D538 HydrophobicContact CB-CB 3.87Å; P497-D538 HydrophobicContact CG-CB 3.77Å; A534-D538 PolarHBondContact O-N 2.94Å; N535-D538 CarbonylContact O-C 3.53Å; D538-L540 PolarHBondContact O-N 3.33Å; D538-L540 PolarHBondContact OD1-N 3.01Å; D538-D541 PolarHBondContact OD1-N 3.24Å; D538-I544 HydrophobicContact CB-CD1 4.37Å | ||
| 539 | P | 92.4 | Very high | 95.7 | Very high | 74 Ų | 74 | 41.2 Ų | 41.2 | 48% | 0.481 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -10.7 | 175.7 | -16.1 | 29.5 | 0 | 0 | 0 | 114 | N535 | N535-P539 WeakPolarHBondContact O-CA 3.33Å; N535-P539 WeakPolarHBondContact O-CG 3.23Å |
| 540 | L | 92.9 | Very high | 95.7 | Very high | 133 Ų | 133 | 34.9 Ų | 34.9 | 70% | 0.696 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -11.6 | -176 | -61.6 | 177.7 | 0 | 0 | 0 | 112.7 | D538 A542 L571 | D538-L540 PolarHBondContact O-N 3.33Å; D538-L540 PolarHBondContact OD1-N 3.01Å; L540-A542 PolarHBondContact O-N 3.46Å; L540-L571 HydrophobicContact CD2-CD2 4.3Å; L540-L571 WeakPolarHBondContact O-CD1 3.32Å |
| 541 | D | 93.6 | Very high | 95.7 | Very high | 21 Ų | 21 | 34.5 Ų | 34.5 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | trans | -80.6 | 104.6 | 173.1 | -171 | 0 | 0 | 0 | 0 | 111.3 | R498 D538 Q543 I544 S545 R572 | R498-D541 IonicContact NH1-OD2 2.72Å; R498-D541 PolarHBondContact NH1-OD2 3.49Å; D538-D541 PolarHBondContact OD1-N 3.24Å; D541-Q543 PolarHBondContact O-N 3.43Å; D541-Q543 VanDerWaalsContact O-N 3.13Å; D541-Q543 WeakPolarHBondContact OD1-CB 2.99Å; D541-Q543 PolarHBondContact OD1-N 3.42Å; D541-I544 HydrophobicContact CB-CB 4.38Å; D541-I544 HydrophobicContact CB-CD1 3.85Å; D541-I544 HydrophobicContact CB-CG1 4Å; D541-I544 PolarHBondContact O-N 2.98Å; D541-I544 VanDerWaalsContact O-N 3.12Å; D541-S545 PolarHBondContact O-N 2.93Å; D541-R572 IonicContact OD1-NH2 3.63Å; D541-R572 PolarHBondContact OD1-NH2 2.81Å | ||
| 542 | A | 94.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.7 | -31.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L540 S545 M546 A568 L571 R572 | L540-A542 PolarHBondContact O-N 3.46Å; A542-S545 PolarHBondContact O-N 3.5Å; A542-M546 VanDerWaalsContact O-CB 3.28Å; A542-M546 WeakPolarHBondContact O-CB 3.27Å; A542-M546 PolarHBondContact O-N 3.24Å; A542-A568 HydrophobicContact CB-CB 4.43Å; A542-A568 WeakPolarHBondContact O-CB 3.33Å; A542-L571 HydrophobicContact CB-CB 3.86Å; A542-L571 HydrophobicContact CB-CD1 4.22Å; A542-R572 HydrophobicContact CB-CB 4.23Å; A542-R572 HydrophobicContact CB-CG 3.88Å |
| 543 | Q | 94.4 | Very high | 95.7 | Very high | 36 Ų | 36 | 31.2 Ų | 31.2 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70 | -36.9 | -178.7 | -172.1 | 176.6 | -3.5 | 0 | 0 | 111.8 | R498 D541 M546 Y547 E866 L867 | R498-Q543 VanDerWaalsContact CZ-OE1 3.28Å; R498-Q543 VanDerWaalsContact NH2-NE2 3.15Å; D541-Q543 PolarHBondContact O-N 3.43Å; D541-Q543 VanDerWaalsContact O-N 3.13Å; D541-Q543 WeakPolarHBondContact OD1-CB 2.99Å; D541-Q543 PolarHBondContact OD1-N 3.42Å; Q543-M546 HydrophobicContact CG-CE 4.39Å; Q543-M546 PolarHBondContact O-N 2.79Å; Q543-Y547 HydrophobicContact CG-CD2 3.77Å; Q543-Y547 HydrophobicContact CG-CE2 3.59Å; Q543-Y547 WeakPolarHBondContact O-CD2 3.31Å; Q543-Y547 PolarHBondContact O-N 2.86Å; Q543-E866 PolarHBondContact NE2-O 3.36Å; Q543-L867 PolarHBondContact NE2-OXT 2.82Å |
| 544 | I | 95.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.1 | -48.1 | 176.3 | -63.9 | 175 | 0 | 0 | 0 | 109.8 | P497 L501 A534 N535 D538 D541 M546 Y547 L548 | P497-I544 HydrophobicContact CB-CD1 3.88Å; L501-I544 HydrophobicContact CB-CG1 4.37Å; L501-I544 HydrophobicContact CD1-CG1 4.35Å; L501-I544 HydrophobicContact CD2-CG1 4.03Å; L501-I544 HydrophobicContact CG-CG1 4.47Å; A534-I544 HydrophobicContact CB-CD1 4.22Å; A534-I544 HydrophobicContact CB-CG2 3.66Å; N535-I544 HydrophobicContact CB-CG2 3.86Å; D538-I544 HydrophobicContact CB-CD1 4.37Å; D541-I544 HydrophobicContact CB-CB 4.38Å; D541-I544 HydrophobicContact CB-CD1 3.85Å; D541-I544 HydrophobicContact CB-CG1 4Å; D541-I544 PolarHBondContact O-N 2.98Å; D541-I544 VanDerWaalsContact O-N 3.12Å; I544-M546 VanDerWaalsContact C-N 3.34Å; I544-M546 PolarHBondContact O-N 2.72Å; I544-Y547 PolarHBondContact O-N 2.61Å; I544-L548 WeakPolarHBondContact O-CB 3.29Å; I544-L548 PolarHBondContact O-N 3.01Å |
| 545 | S | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.4 | -42.9 | 175.7 | -81.7 | 0 | 0 | 0 | 0 | 112.2 | N535 D541 A542 L548 A549 P564 T567 | N535-S545 PolarHBondContact OD1-OG 3.42Å; D541-S545 PolarHBondContact O-N 2.93Å; A542-S545 PolarHBondContact O-N 3.5Å; S545-L548 PolarHBondContact O-N 3.09Å; S545-A549 PolarHBondContact O-N 3.36Å; S545-P564 WeakPolarHBondContact CB-O 3.4Å; S545-T567 PolarHBondContact OG-OG1 3.26Å |
| 546 | M | 96.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 176.6 | -180 | -85.1 | -68.9 | 0 | 0 | 112.2 | A542 Q543 I544 A549 L550 A568 P577 S578 | A542-M546 VanDerWaalsContact O-CB 3.28Å; A542-M546 WeakPolarHBondContact O-CB 3.27Å; A542-M546 PolarHBondContact O-N 3.24Å; Q543-M546 HydrophobicContact CG-CE 4.39Å; Q543-M546 PolarHBondContact O-N 2.79Å; I544-M546 VanDerWaalsContact C-N 3.34Å; I544-M546 PolarHBondContact O-N 2.72Å; M546-A549 WeakPolarHBondContact O-CB 3.33Å; M546-A549 PolarHBondContact O-N 2.99Å; M546-L550 PolarHBondContact O-N 3.36Å; M546-A568 HydrophobicContact CB-CB 4.13Å; M546-P577 HydrophobicContact CE-CB 3.88Å; M546-P577 HydrophobicContact SD-CB 4.13Å; M546-S578 VanDerWaalsContact CG-OG 3.3Å; M546-S578 WeakPolarHBondContact CG-OG 3.41Å |
| 547 | Y | 97.2 | Very high | 95.1 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.4 | -30.1 | 178.1 | -76.8 | -54.2 | 0 | 0 | 0 | 113.7 | L501 L505 Q543 I544 L550 Q551 P864 R865 E866 | L501-Y547 HydrophobicContact CD1-CD2 3.78Å; L501-Y547 HydrophobicContact CD1-CG 4.32Å; L505-Y547 HydrophobicContact CD1-CD2 4.39Å; L505-Y547 HydrophobicContact CD1-CE2 4.12Å; L505-Y547 HydrophobicContact CD2-CD1 3.66Å; L505-Y547 HydrophobicContact CD2-CD2 4.04Å; L505-Y547 HydrophobicContact CD2-CE1 3.91Å; L505-Y547 HydrophobicContact CD2-CE2 4.17Å; L505-Y547 HydrophobicContact CD2-CG 3.74Å; Q543-Y547 HydrophobicContact CG-CD2 3.77Å; Q543-Y547 HydrophobicContact CG-CE2 3.59Å; Q543-Y547 WeakPolarHBondContact O-CD2 3.31Å; Q543-Y547 PolarHBondContact O-N 2.86Å; I544-Y547 PolarHBondContact O-N 2.61Å; Y547-L550 HydrophobicContact CD1-CD2 3.93Å; Y547-L550 HydrophobicContact CE1-CD2 4.2Å; Y547-L550 PolarHBondContact O-N 3.08Å; Y547-Q551 WeakPolarHBondContact O-CB 3.39Å; Y547-Q551 PolarHBondContact O-N 2.76Å; Y547-P864 PolarHBondContact OH-O 3.17Å; Y547-R865 HydrophobicContact CE1-CG 4.41Å; Y547-E866 WeakPolarHBondContact CE2-O 3.29Å; Y547-E866 PolarHBondContact OH-N 3.43Å; Y547-E866 PolarHBondContact OH-O 3.29Å |
| 548 | L | 97.4 | Very high | 95 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.1 | -47.7 | 169.2 | 177.5 | 59.4 | 0 | 0 | 0 | 110.8 | L528 L531 N532 N535 I544 S545 L550 Q551 L552 P564 | L528-L548 HydrophobicContact CD2-CD1 4.28Å; L531-L548 HydrophobicContact CB-CB 4.34Å; L531-L548 HydrophobicContact CB-CD1 3.91Å; N532-L548 WeakPolarHBondContact OD1-CD1 3.47Å; N532-L548 WeakPolarHBondContact OD1-CD2 3.21Å; N535-L548 HydrophobicContact CB-CD2 4.06Å; I544-L548 WeakPolarHBondContact O-CB 3.29Å; I544-L548 PolarHBondContact O-N 3.01Å; S545-L548 PolarHBondContact O-N 3.09Å; L548-L550 VanDerWaalsContact C-N 3.33Å; L548-L550 PolarHBondContact O-N 2.81Å; L548-Q551 PolarHBondContact O-N 3.49Å; L548-L552 HydrophobicContact CD1-CD1 4.39Å; L548-L552 HydrophobicContact CD1-CG 4.5Å; L548-L552 HydrophobicContact CG-CD1 4.29Å; L548-L552 WeakPolarHBondContact O-CG 3.5Å; L548-L552 PolarHBondContact O-N 2.97Å; L548-P564 HydrophobicContact CD2-CB 4.2Å; L548-P564 HydrophobicContact CD2-CG 4.1Å; L548-P564 HydrophobicContact CG-CB 4.31Å; L548-P564 HydrophobicContact CG-CG 4.26Å |
| 549 | A | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S545 M546 Q551 L552 A553 A561 P564 L565 L581 | S545-A549 PolarHBondContact O-N 3.36Å; M546-A549 WeakPolarHBondContact O-CB 3.33Å; M546-A549 PolarHBondContact O-N 2.99Å; A549-Q551 PolarHBondContact O-N 3.47Å; A549-L552 PolarHBondContact O-N 2.88Å; A549-A553 WeakPolarHBondContact O-CB 3.43Å; A549-A553 PolarHBondContact O-N 3.22Å; A549-A561 WeakPolarHBondContact CB-O 3.29Å; A549-A561 WeakPolarHBondContact O-CB 3.35Å; A549-P564 HydrophobicContact CB-CB 4.21Å; A549-L565 HydrophobicContact CB-CB 3.87Å; A549-L581 HydrophobicContact CB-CD2 3.83Å |
| 550 | L | 97.4 | Very high | 95 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 178 | -177.8 | 62.6 | 0 | 0 | 0 | 111.5 | M546 Y547 L548 A553 L554 L581 F860 I863 R865 | M546-L550 PolarHBondContact O-N 3.36Å; Y547-L550 HydrophobicContact CD1-CD2 3.93Å; Y547-L550 HydrophobicContact CE1-CD2 4.2Å; Y547-L550 PolarHBondContact O-N 3.08Å; L548-L550 VanDerWaalsContact C-N 3.33Å; L548-L550 PolarHBondContact O-N 2.81Å; L550-A553 WeakPolarHBondContact O-CB 3.42Å; L550-A553 PolarHBondContact O-N 3.11Å; L550-L554 HydrophobicContact CG-CD1 4.35Å; L550-L554 WeakPolarHBondContact O-CG 3.38Å; L550-L554 PolarHBondContact O-N 3.22Å; L550-L581 HydrophobicContact CB-CD2 3.99Å; L550-L581 HydrophobicContact CD1-CD1 3.86Å; L550-L581 HydrophobicContact CD1-CD2 4.48Å; L550-F860 HydrophobicContact CD1-CB 4.03Å; L550-I863 HydrophobicContact CD1-CB 4.35Å; L550-I863 HydrophobicContact CD1-CD1 4.28Å; L550-I863 HydrophobicContact CD2-CB 4.29Å; L550-I863 HydrophobicContact CD2-CG2 4.18Å; L550-R865 HydrophobicContact CD2-CG 3.91Å |
| 551 | Q | 97.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.1 | -38.6 | 179.3 | -174.3 | 61.7 | 25.3 | 0 | 0 | 111.9 | S508 N524 A527 L528 L531 Y547 L548 A549 A553 L554 V555 | S508-Q551 PolarHBondContact OG-OE1 3.18Å; N524-Q551 PolarHBondContact OD1-NE2 2.78Å; A527-Q551 HydrophobicContact CB-CG 4.15Å; L528-Q551 HydrophobicContact CD2-CB 3.97Å; L528-Q551 HydrophobicContact CD2-CG 3.52Å; L528-Q551 HydrophobicContact CG-CG 3.74Å; L531-Q551 HydrophobicContact CD1-CB 3.47Å; L531-Q551 VanDerWaalsContact CD1-CB 3.47Å; L531-Q551 HydrophobicContact CD1-CG 3.88Å; Y547-Q551 WeakPolarHBondContact O-CB 3.39Å; Y547-Q551 PolarHBondContact O-N 2.76Å; L548-Q551 PolarHBondContact O-N 3.49Å; A549-Q551 PolarHBondContact O-N 3.47Å; Q551-A553 VanDerWaalsContact C-N 3.32Å; Q551-L554 PolarHBondContact O-N 3.12Å; Q551-V555 WeakPolarHBondContact O-CG2 3.45Å; Q551-V555 PolarHBondContact O-N 3.09Å; Q551-V555 VanDerWaalsContact O-N 3.1Å |
| 552 | L | 96.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 23.6 Ų | 23.6 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | 172.2 | -70.9 | 168.4 | 0 | 0 | 0 | 111.3 | L528 L548 A549 V555 R556 Q557 A560 A561 P564 | L528-L552 HydrophobicContact CD1-CD2 4.46Å; L528-L552 HydrophobicContact CD2-CD2 3.64Å; L528-L552 HydrophobicContact CD2-CG 3.88Å; L548-L552 HydrophobicContact CD1-CD1 4.39Å; L548-L552 HydrophobicContact CD1-CG 4.5Å; L548-L552 HydrophobicContact CG-CD1 4.29Å; L548-L552 WeakPolarHBondContact O-CG 3.5Å; L548-L552 PolarHBondContact O-N 2.97Å; A549-L552 PolarHBondContact O-N 2.88Å; L552-V555 CarbonylContact O-C 3.57Å; L552-V555 PolarHBondContact O-N 3.35Å; L552-R556 PolarHBondContact O-N 3.47Å; L552-Q557 HydrophobicContact CB-CB 4.48Å; L552-Q557 HydrophobicContact CD2-CB 4.38Å; L552-Q557 PolarHBondContact O-N 2.92Å; L552-A560 HydrophobicContact CD1-CB 4.31Å; L552-A560 HydrophobicContact CD2-CB 4.45Å; L552-A561 HydrophobicContact CB-CB 3.81Å; L552-P564 HydrophobicContact CD1-CG 4.14Å |
| 553 | A | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A549 L550 Q551 V555 R556 A561 L581 L585 F860 | A549-A553 WeakPolarHBondContact O-CB 3.43Å; A549-A553 PolarHBondContact O-N 3.22Å; L550-A553 WeakPolarHBondContact O-CB 3.42Å; L550-A553 PolarHBondContact O-N 3.11Å; Q551-A553 VanDerWaalsContact C-N 3.32Å; A553-V555 VanDerWaalsContact C-N 3.29Å; A553-V555 PolarHBondContact O-N 3.18Å; A553-R556 WeakPolarHBondContact O-CA 3.44Å; A553-R556 PolarHBondContact O-N 2.99Å; A553-A561 HydrophobicContact CB-CB 4.38Å; A553-L581 HydrophobicContact CB-CD1 4.26Å; A553-L585 HydrophobicContact CB-CD2 3.81Å; A553-F860 HydrophobicContact CB-CD1 3.91Å; A553-F860 HydrophobicContact CB-CD2 3.91Å; A553-F860 HydrophobicContact CB-CE1 3.93Å; A553-F860 HydrophobicContact CB-CE2 3.94Å; A553-F860 HydrophobicContact CB-CG 3.9Å; A553-F860 HydrophobicContact CB-CZ 3.96Å; A553-F860 WeakPolarHBondContact O-CD2 3.23Å; A553-F860 WeakPolarHBondContact O-CE2 3.37Å |
| 554 | L | 93.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 17% | 0.173 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -35.1 | 176 | -72.3 | 170.6 | 0 | 0 | 0 | 112.5 | L550 Q551 R556 F860 T861 | L550-L554 HydrophobicContact CG-CD1 4.35Å; L550-L554 WeakPolarHBondContact O-CG 3.38Å; L550-L554 PolarHBondContact O-N 3.22Å; Q551-L554 PolarHBondContact O-N 3.12Å; L554-R556 PolarHBondContact O-N 2.64Å; L554-F860 HydrophobicContact CD2-CB 3.84Å; L554-F860 HydrophobicContact CG-CB 4.36Å; L554-T861 HydrophobicContact CD2-CG2 3.59Å |
| 555 | V | 93.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 29.4 Ų | 29.4 | 29% | 0.291 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 6.1 | 175 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | N524 L528 Q551 L552 A553 Q557 | N524-V555 HydrophobicContact CB-CG2 3.95Å; L528-V555 HydrophobicContact CD1-CG2 4.17Å; Q551-V555 WeakPolarHBondContact O-CG2 3.45Å; Q551-V555 PolarHBondContact O-N 3.09Å; Q551-V555 VanDerWaalsContact O-N 3.1Å; L552-V555 CarbonylContact O-C 3.57Å; L552-V555 PolarHBondContact O-N 3.35Å; A553-V555 VanDerWaalsContact C-N 3.29Å; A553-V555 PolarHBondContact O-N 3.18Å; V555-Q557 VanDerWaalsContact C-N 3.26Å; V555-Q557 HydrophobicContact CG1-CG 4.44Å; V555-Q557 PolarHBondContact O-N 3.41Å |
| 556 | R | 91.6 | Very high | 95.3 | Very high | 50 Ų | 50 | 35 Ų | 35 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 20.7 | -179 | -54.5 | -63.3 | -178 | 146.6 | 3.1 | 115 | L552 A553 L554 V558 T821 S854 | L552-R556 PolarHBondContact O-N 3.47Å; A553-R556 WeakPolarHBondContact O-CA 3.44Å; A553-R556 PolarHBondContact O-N 2.99Å; L554-R556 PolarHBondContact O-N 2.64Å; R556-V558 VanDerWaalsContact C-N 3.26Å; R556-V558 PolarHBondContact O-N 3.07Å; R556-V558 VanDerWaalsContact O-N 3.12Å; R556-T821 HydrophobicContact CG-CG2 4.02Å; R556-T821 PolarHBondContact NH2-O 3.49Å; R556-T821 PolarHBondContact NH2-OG1 2.95Å; R556-S854 PolarHBondContact NH1-O 3.44Å |
| 557 | Q | 93.6 | Very high | 95.3 | Very high | 92 Ų | 92 | 37.3 Ų | 37.3 | 43% | 0.43 | 20% | 0.201 | S | C | . | . | trans | -87.9 | 64.6 | 170.8 | -63.5 | -174.9 | 0.4 | 0 | 0 | 110.6 | L552 V555 S559 A560 A561 | L552-Q557 HydrophobicContact CB-CB 4.48Å; L552-Q557 HydrophobicContact CD2-CB 4.38Å; L552-Q557 PolarHBondContact O-N 2.92Å; V555-Q557 VanDerWaalsContact C-N 3.26Å; V555-Q557 HydrophobicContact CG1-CG 4.44Å; V555-Q557 PolarHBondContact O-N 3.41Å; Q557-S559 VanDerWaalsContact C-N 3.31Å; Q557-S559 PolarHBondContact O-N 3.01Å; Q557-A560 HydrophobicContact CB-CB 4.2Å; Q557-A560 PolarHBondContact O-N 3.19Å; Q557-A561 PolarHBondContact O-N 3.32Å | ||
| 558 | V | 92.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 36.6 Ų | 36.6 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -39 | -172.9 | 176.5 | 0 | 0 | 0 | 0 | 112.5 | R556 L585 S588 Q589 | R556-V558 VanDerWaalsContact C-N 3.26Å; R556-V558 PolarHBondContact O-N 3.07Å; R556-V558 VanDerWaalsContact O-N 3.12Å; V558-L585 HydrophobicContact CB-CD2 4.49Å; V558-L585 HydrophobicContact CG1-CD2 3.98Å; V558-S588 WeakPolarHBondContact CG1-OG 3.37Å; V558-Q589 HydrophobicContact CG1-CG 3.73Å |
| 559 | S | 92.4 | Very high | 95 | Very high | 101 Ų | 101 | 37.9 Ų | 37.9 | 71% | 0.706 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -67.3 | -46.7 | 179.4 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | Q557 A561 M562 | Q557-S559 VanDerWaalsContact C-N 3.31Å; Q557-S559 PolarHBondContact O-N 3.01Å; S559-A561 VanDerWaalsContact C-N 3.27Å; S559-A561 PolarHBondContact O-N 3.39Å; S559-M562 PolarHBondContact O-N 3.13Å |
| 560 | A | 95 | Very high | 95 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 35% | 0.347 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.4 | -29.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L552 Q557 M562 P564 | L552-A560 HydrophobicContact CD1-CB 4.31Å; L552-A560 HydrophobicContact CD2-CB 4.45Å; Q557-A560 HydrophobicContact CB-CB 4.2Å; Q557-A560 PolarHBondContact O-N 3.19Å; A560-M562 VanDerWaalsContact C-N 3.25Å; A560-M562 PolarHBondContact O-N 3.4Å; A560-P564 WeakPolarHBondContact O-CD 3.38Å |
| 561 | A | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -23.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A549 L552 A553 Q557 S559 L565 L585 | A549-A561 WeakPolarHBondContact CB-O 3.29Å; A549-A561 WeakPolarHBondContact O-CB 3.35Å; L552-A561 HydrophobicContact CB-CB 3.81Å; A553-A561 HydrophobicContact CB-CB 4.38Å; Q557-A561 PolarHBondContact O-N 3.32Å; S559-A561 VanDerWaalsContact C-N 3.27Å; S559-A561 PolarHBondContact O-N 3.39Å; A561-L565 WeakPolarHBondContact O-CB 3.44Å; A561-L565 PolarHBondContact O-N 3.02Å; A561-L585 HydrophobicContact CB-CD1 3.95Å; A561-L585 HydrophobicContact CB-CD2 3.96Å |
| 562 | M | 95.4 | Very high | 94.6 | Very high | 32 Ų | 32 | 50.6 Ų | 50.6 | 16% | 0.158 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.2 | -37.6 | -176.2 | -69.7 | -63.7 | -63.4 | 0 | 0 | 113 | S559 A560 L565 Q566 L582 L585 | S559-M562 PolarHBondContact O-N 3.13Å; A560-M562 VanDerWaalsContact C-N 3.25Å; A560-M562 PolarHBondContact O-N 3.4Å; M562-L565 PolarHBondContact O-N 3.45Å; M562-Q566 WeakPolarHBondContact O-CB 3.49Å; M562-Q566 VanDerWaalsContact O-CG 3.26Å; M562-Q566 WeakPolarHBondContact O-CG 3.25Å; M562-Q566 PolarHBondContact O-N 3.5Å; M562-L582 HydrophobicContact CE-CD1 3.88Å; M562-L582 HydrophobicContact SD-CD1 4.48Å; M562-L585 HydrophobicContact SD-CB 3.92Å; M562-L585 HydrophobicContact SD-CD1 3.87Å |
| 563 | E | 95.1 | Very high | 94.1 | Very high | 143 Ų | 143 | 52.9 Ų | 52.9 | 67% | 0.668 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.7 | -54.2 | -177 | 173.4 | -167.8 | -163.5 | 0 | 0 | 111.8 | L565 Q566 T567 | E563-L565 PolarHBondContact O-N 3.49Å; E563-Q566 PolarHBondContact O-N 3.33Å; E563-Q566 VanDerWaalsContact O-N 3.1Å; E563-T567 PolarHBondContact O-N 2.96Å |
| 564 | P | 95.4 | Very high | 93.6 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -25.4 | 176 | -20.5 | 32.3 | 0 | 0 | 0 | 113.1 | S545 L548 A549 L552 A560 T567 A568 | S545-P564 WeakPolarHBondContact CB-O 3.4Å; L548-P564 HydrophobicContact CD2-CB 4.2Å; L548-P564 HydrophobicContact CD2-CG 4.1Å; L548-P564 HydrophobicContact CG-CB 4.31Å; L548-P564 HydrophobicContact CG-CG 4.26Å; A549-P564 HydrophobicContact CB-CB 4.21Å; L552-P564 HydrophobicContact CD1-CG 4.14Å; A560-P564 WeakPolarHBondContact O-CD 3.38Å; P564-T567 WeakPolarHBondContact CA-OG1 3.44Å; P564-T567 PolarHBondContact O-OG1 3.5Å; P564-A568 WeakPolarHBondContact O-CB 3.41Å; P564-A568 PolarHBondContact O-N 3.42Å |
| 565 | L | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.3 | -39.7 | 174.6 | -175.5 | 58.5 | 0 | 0 | 0 | 112.1 | A549 A561 M562 E563 T567 A568 L569 L581 L582 L585 | A549-L565 HydrophobicContact CB-CB 3.87Å; A561-L565 WeakPolarHBondContact O-CB 3.44Å; A561-L565 PolarHBondContact O-N 3.02Å; M562-L565 PolarHBondContact O-N 3.45Å; E563-L565 PolarHBondContact O-N 3.49Å; L565-T567 VanDerWaalsContact C-N 3.31Å; L565-A568 PolarHBondContact O-N 3.22Å; L565-L569 HydrophobicContact CD1-CD1 4.41Å; L565-L569 HydrophobicContact CD1-CG 4.41Å; L565-L569 HydrophobicContact CG-CD1 4.12Å; L565-L569 WeakPolarHBondContact O-CB 3.42Å; L565-L569 WeakPolarHBondContact O-CG 3.5Å; L565-L569 PolarHBondContact O-N 3.01Å; L565-L581 HydrophobicContact CD1-CB 4.38Å; L565-L581 HydrophobicContact CD1-CD2 4.16Å; L565-L581 HydrophobicContact CD1-CG 4.46Å; L565-L581 HydrophobicContact CD2-CB 4.34Å; L565-L581 HydrophobicContact CD2-CD2 4.46Å; L565-L581 HydrophobicContact CD2-CG 4.1Å; L565-L582 HydrophobicContact CD2-CB 3.8Å; L565-L582 HydrophobicContact CD2-CD1 4.12Å; L565-L585 HydrophobicContact CD2-CD1 3.59Å |
| 566 | Q | 95.3 | Very high | 93.4 | Very high | 120 Ų | 120 | 57.3 Ų | 57.3 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.6 | -38.8 | 174.6 | -75.4 | 172.3 | -0.4 | 0 | 0 | 111.1 | M562 E563 L569 S570 | M562-Q566 WeakPolarHBondContact O-CB 3.49Å; M562-Q566 VanDerWaalsContact O-CG 3.26Å; M562-Q566 WeakPolarHBondContact O-CG 3.25Å; M562-Q566 PolarHBondContact O-N 3.5Å; E563-Q566 PolarHBondContact O-N 3.33Å; E563-Q566 VanDerWaalsContact O-N 3.1Å; Q566-L569 PolarHBondContact O-N 3.5Å; Q566-S570 VanDerWaalsContact O-CB 3.31Å; Q566-S570 WeakPolarHBondContact O-CB 3.29Å; Q566-S570 PolarHBondContact O-N 3.05Å; Q566-S570 PolarHBondContact O-OG 3.39Å |
| 567 | T | 94.4 | Very high | 93.5 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 32% | 0.319 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 172.9 | 61.3 | 0 | 0 | 0 | 0 | 110.7 | S545 E563 P564 L565 L569 S570 L571 | S545-T567 PolarHBondContact OG-OG1 3.26Å; E563-T567 PolarHBondContact O-N 2.96Å; P564-T567 WeakPolarHBondContact CA-OG1 3.44Å; P564-T567 PolarHBondContact O-OG1 3.5Å; L565-T567 VanDerWaalsContact C-N 3.31Å; T567-L569 PolarHBondContact O-N 3.39Å; T567-S570 PolarHBondContact O-N 3.41Å; T567-S570 PolarHBondContact O-OG 3.39Å; T567-L571 VanDerWaalsContact O-CG 3.31Å; T567-L571 WeakPolarHBondContact O-CG 3.28Å; T567-L571 PolarHBondContact O-N 2.87Å; T567-L571 VanDerWaalsContact O-N 3.1Å |
| 568 | A | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A542 M546 P564 L565 S570 L571 R572 | A542-A568 HydrophobicContact CB-CB 4.43Å; A542-A568 WeakPolarHBondContact O-CB 3.33Å; M546-A568 HydrophobicContact CB-CB 4.13Å; P564-A568 WeakPolarHBondContact O-CB 3.41Å; P564-A568 PolarHBondContact O-N 3.42Å; L565-A568 PolarHBondContact O-N 3.22Å; A568-S570 VanDerWaalsContact C-N 3.34Å; A568-S570 PolarHBondContact O-N 3.44Å; A568-L571 PolarHBondContact O-N 3Å; A568-R572 PolarHBondContact O-N 3.16Å |
| 569 | L | 94.6 | Very high | 93.6 | Very high | 31 Ų | 31 | 52.1 Ų | 52.1 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.9 | -30.1 | 178.5 | -71.9 | 170 | 0 | 0 | 0 | 113 | L565 Q566 T567 L571 R572 A573 L579 L582 | L565-L569 HydrophobicContact CD1-CD1 4.41Å; L565-L569 HydrophobicContact CD1-CG 4.41Å; L565-L569 HydrophobicContact CG-CD1 4.12Å; L565-L569 WeakPolarHBondContact O-CB 3.42Å; L565-L569 WeakPolarHBondContact O-CG 3.5Å; L565-L569 PolarHBondContact O-N 3.01Å; Q566-L569 PolarHBondContact O-N 3.5Å; T567-L569 PolarHBondContact O-N 3.39Å; L569-L571 VanDerWaalsContact C-N 3.29Å; L569-R572 CarbonylContact O-C 3.29Å; L569-R572 VanDerWaalsContact O-C 3.27Å; L569-A573 VanDerWaalsContact O-CA 3.27Å; L569-A573 WeakPolarHBondContact O-CA 3.27Å; L569-A573 PolarHBondContact O-N 2.97Å; L569-L579 HydrophobicContact CD2-CD2 3.82Å; L569-L579 HydrophobicContact CD2-CG 4.16Å; L569-L582 HydrophobicContact CD1-CB 4.33Å; L569-L582 HydrophobicContact CD1-CD2 3.73Å |
| 570 | S | 95.6 | Very high | 93.8 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 68% | 0.678 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.7 | -30.3 | 174.1 | 75.6 | 0 | 0 | 0 | 0 | 112.6 | Q566 T567 A568 | Q566-S570 VanDerWaalsContact O-CB 3.31Å; Q566-S570 WeakPolarHBondContact O-CB 3.29Å; Q566-S570 PolarHBondContact O-N 3.05Å; Q566-S570 PolarHBondContact O-OG 3.39Å; T567-S570 PolarHBondContact O-N 3.41Å; T567-S570 PolarHBondContact O-OG 3.39Å; A568-S570 VanDerWaalsContact C-N 3.34Å; A568-S570 PolarHBondContact O-N 3.44Å |
| 571 | L | 94.1 | Very high | 93.8 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 37% | 0.372 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -82.3 | -42.1 | 177.1 | -66.8 | 164.8 | 0 | 0 | 0 | 111.4 | L540 A542 T567 A568 L569 | L540-L571 HydrophobicContact CD2-CD2 4.3Å; L540-L571 WeakPolarHBondContact O-CD1 3.32Å; A542-L571 HydrophobicContact CB-CB 3.86Å; A542-L571 HydrophobicContact CB-CD1 4.22Å; T567-L571 VanDerWaalsContact O-CG 3.31Å; T567-L571 WeakPolarHBondContact O-CG 3.28Å; T567-L571 PolarHBondContact O-N 2.87Å; T567-L571 VanDerWaalsContact O-N 3.1Å; A568-L571 PolarHBondContact O-N 3Å; L569-L571 VanDerWaalsContact C-N 3.29Å |
| 572 | R | 92.7 | Very high | 93.8 | Very high | 103 Ų | 103 | 47.1 Ų | 47.1 | 39% | 0.389 | 26% | 0.255 | S | S | . | . | trans | -136.8 | 99 | 176.4 | -62.7 | -173.1 | -153.5 | 137 | 11 | 110.2 | D541 A542 A568 L569 D574 D575 | D541-R572 IonicContact OD1-NH2 3.63Å; D541-R572 PolarHBondContact OD1-NH2 2.81Å; A542-R572 HydrophobicContact CB-CB 4.23Å; A542-R572 HydrophobicContact CB-CG 3.88Å; A568-R572 PolarHBondContact O-N 3.16Å; L569-R572 CarbonylContact O-C 3.29Å; L569-R572 VanDerWaalsContact O-C 3.27Å; R572-D574 VanDerWaalsContact C-N 3.33Å; R572-D574 PolarHBondContact O-N 3.27Å; R572-D575 HydrophobicContact CB-CB 4.1Å | ||
| 573 | A | 87.5 | Confident | 93.9 | Very high | 64 Ų | 64 | 45.6 Ų | 45.6 | 53% | 0.529 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -33.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L569 | L569-A573 VanDerWaalsContact O-CA 3.27Å; L569-A573 WeakPolarHBondContact O-CA 3.27Å; L569-A573 PolarHBondContact O-N 2.97Å |
| 574 | D | 85.4 | Confident | 94 | Very high | 104 Ų | 104 | 38.8 Ų | 38.8 | 56% | 0.556 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 15.9 | -173.6 | -58.7 | -33.3 | 0 | 0 | 0 | 113.4 | R572 L576 Q605 | R572-D574 VanDerWaalsContact C-N 3.33Å; R572-D574 PolarHBondContact O-N 3.27Å; D574-L576 PolarHBondContact O-N 3.35Å; D574-Q605 PolarHBondContact OD1-NE2 3.02Å |
| 575 | D | 90.2 | Very high | 94 | Very high | 34 Ų | 34 | 38 Ų | 38 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | trans | -73.1 | 110.8 | 179 | -176.7 | 62.7 | 0 | 0 | 0 | 111.3 | R572 S578 L579 | R572-D575 HydrophobicContact CB-CB 4.1Å; D575-S578 WeakPolarHBondContact O-CB 3.31Å; D575-S578 PolarHBondContact O-N 3.29Å; D575-S578 VanDerWaalsContact O-N 3.12Å; D575-S578 VanDerWaalsContact OD2-CB 3.3Å; D575-S578 WeakPolarHBondContact OD2-CB 3.32Å; D575-S578 PolarHBondContact OD2-N 3.5Å; D575-S578 VanDerWaalsContact OD2-N 3.13Å; D575-S578 PolarHBondContact OD2-OG 2.94Å; D575-L579 PolarHBondContact O-N 2.9Å | ||
| 576 | L | 92.2 | Very high | 94 | Very high | 36 Ų | 36 | 39 Ų | 39 | 19% | 0.188 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | -175 | -176.1 | 151.6 | 0 | 0 | 0 | 113.7 | D574 S578 L579 H580 H606 N609 L612 | D574-L576 PolarHBondContact O-N 3.35Å; L576-S578 VanDerWaalsContact C-N 3.31Å; L576-S578 PolarHBondContact O-N 3.29Å; L576-L579 PolarHBondContact O-N 2.83Å; L576-H580 WeakPolarHBondContact O-CB 3.41Å; L576-H580 PolarHBondContact O-N 3.36Å; L576-H606 HydrophobicContact CD1-CB 3.81Å; L576-N609 HydrophobicContact CD1-CB 4.22Å; L576-N609 WeakPolarHBondContact CD1-ND2 3.13Å; L576-N609 WeakPolarHBondContact CD2-ND2 3.47Å; L576-L612 HydrophobicContact CD1-CD1 3.91Å; L576-L612 HydrophobicContact CG-CD1 4.08Å |
| 577 | P | 93.4 | Very high | 94.1 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 25% | 0.247 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 174.9 | -25.7 | 35.7 | 0 | 0 | 0 | 113.1 | M546 H580 L581 I863 | M546-P577 HydrophobicContact CE-CB 3.88Å; M546-P577 HydrophobicContact SD-CB 4.13Å; P577-H580 PolarHBondContact O-N 2.98Å; P577-L581 WeakPolarHBondContact O-CB 3.47Å; P577-L581 PolarHBondContact O-N 2.86Å; P577-I863 HydrophobicContact CB-CG2 4.07Å |
| 578 | S | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | 177.7 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | M546 D575 L576 H580 L581 L582 | M546-S578 VanDerWaalsContact CG-OG 3.3Å; M546-S578 WeakPolarHBondContact CG-OG 3.41Å; D575-S578 WeakPolarHBondContact O-CB 3.31Å; D575-S578 PolarHBondContact O-N 3.29Å; D575-S578 VanDerWaalsContact O-N 3.12Å; D575-S578 VanDerWaalsContact OD2-CB 3.3Å; D575-S578 WeakPolarHBondContact OD2-CB 3.32Å; D575-S578 PolarHBondContact OD2-N 3.5Å; D575-S578 VanDerWaalsContact OD2-N 3.13Å; D575-S578 PolarHBondContact OD2-OG 2.94Å; L576-S578 VanDerWaalsContact C-N 3.31Å; L576-S578 PolarHBondContact O-N 3.29Å; S578-H580 VanDerWaalsContact C-N 3.34Å; S578-H580 PolarHBondContact O-N 2.65Å; S578-L581 PolarHBondContact O-N 3.14Å; S578-L582 PolarHBondContact O-N 3.3Å |
| 579 | L | 94.8 | Very high | 94 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 175.3 | -69.4 | 174.6 | 0 | 0 | 0 | 111.6 | L569 D575 L576 L582 T583 T598 A602 | L569-L579 HydrophobicContact CD2-CD2 3.82Å; L569-L579 HydrophobicContact CD2-CG 4.16Å; D575-L579 PolarHBondContact O-N 2.9Å; L576-L579 PolarHBondContact O-N 2.83Å; L579-L582 WeakPolarHBondContact O-CB 3.42Å; L579-L582 PolarHBondContact O-N 3.16Å; L579-T583 PolarHBondContact O-N 3.02Å; L579-T583 PolarHBondContact O-OG1 2.99Å; L579-T598 HydrophobicContact CD2-CG2 4.42Å; L579-A602 HydrophobicContact CB-CB 4.2Å; L579-A602 HydrophobicContact CD1-CB 4.01Å |
| 580 | H | 95.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 175.8 | -163.5 | 179.7 | 0 | 0 | 0 | 111.3 | L576 P577 S578 L582 T583 L584 L612 T615 I862 I863 | L576-H580 WeakPolarHBondContact O-CB 3.41Å; L576-H580 PolarHBondContact O-N 3.36Å; P577-H580 PolarHBondContact O-N 2.98Å; S578-H580 VanDerWaalsContact C-N 3.34Å; S578-H580 PolarHBondContact O-N 2.65Å; H580-L582 VanDerWaalsContact C-N 3.3Å; H580-L582 PolarHBondContact O-N 3.39Å; H580-T583 WeakPolarHBondContact O-CB 3.03Å; H580-T583 PolarHBondContact O-N 2.89Å; H580-L584 WeakPolarHBondContact O-CG 3.5Å; H580-L584 PolarHBondContact O-N 3.38Å; H580-L612 HydrophobicContact CB-CD2 3.7Å; H580-L612 VanDerWaalsContact CG-CD2 3.45Å; H580-T615 PolarHBondContact NE2-OG1 3.31Å; H580-I862 WeakPolarHBondContact CE1-CD1 3.28Å; H580-I862 WeakPolarHBondContact NE2-CD1 3.36Å; H580-I863 HydrophobicContact CB-CD1 4.34Å |
| 581 | L | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 176.3 | -175.9 | 55.6 | 0 | 0 | 0 | 111.5 | A549 L550 A553 L565 P577 S578 L584 L585 F860 I863 | A549-L581 HydrophobicContact CB-CD2 3.83Å; L550-L581 HydrophobicContact CB-CD2 3.99Å; L550-L581 HydrophobicContact CD1-CD1 3.86Å; L550-L581 HydrophobicContact CD1-CD2 4.48Å; A553-L581 HydrophobicContact CB-CD1 4.26Å; L565-L581 HydrophobicContact CD1-CB 4.38Å; L565-L581 HydrophobicContact CD1-CD2 4.16Å; L565-L581 HydrophobicContact CD1-CG 4.46Å; L565-L581 HydrophobicContact CD2-CB 4.34Å; L565-L581 HydrophobicContact CD2-CD2 4.46Å; L565-L581 HydrophobicContact CD2-CG 4.1Å; P577-L581 WeakPolarHBondContact O-CB 3.47Å; P577-L581 PolarHBondContact O-N 2.86Å; S578-L581 PolarHBondContact O-N 3.14Å; L581-L584 PolarHBondContact O-N 3.16Å; L581-L585 HydrophobicContact CD1-CD1 4.45Å; L581-L585 HydrophobicContact CD1-CG 4.24Å; L581-L585 HydrophobicContact CG-CD1 4.17Å; L581-L585 HydrophobicContact CG-CG 4.41Å; L581-L585 WeakPolarHBondContact O-CB 3.27Å; L581-L585 WeakPolarHBondContact O-CG 3.34Å; L581-L585 PolarHBondContact O-N 3.32Å; L581-F860 HydrophobicContact CD1-CD1 3.88Å; L581-F860 HydrophobicContact CD1-CE1 4.3Å; L581-I863 HydrophobicContact CB-CD1 3.6Å; L581-I863 HydrophobicContact CD1-CD1 4.06Å; L581-I863 HydrophobicContact CG-CD1 4.35Å |
| 582 | L | 96.1 | Very high | 94 | Very high | 30 Ų | 30 | 34.8 Ų | 34.8 | 16% | 0.157 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -47.8 | 175.3 | -179.7 | 59.5 | 0 | 0 | 0 | 110.9 | M562 L565 L569 S578 L579 H580 L584 L585 L586 T598 | M562-L582 HydrophobicContact CE-CD1 3.88Å; M562-L582 HydrophobicContact SD-CD1 4.48Å; L565-L582 HydrophobicContact CD2-CB 3.8Å; L565-L582 HydrophobicContact CD2-CD1 4.12Å; L569-L582 HydrophobicContact CD1-CB 4.33Å; L569-L582 HydrophobicContact CD1-CD2 3.73Å; S578-L582 PolarHBondContact O-N 3.3Å; L579-L582 WeakPolarHBondContact O-CB 3.42Å; L579-L582 PolarHBondContact O-N 3.16Å; H580-L582 VanDerWaalsContact C-N 3.3Å; H580-L582 PolarHBondContact O-N 3.39Å; L582-L584 VanDerWaalsContact C-N 3.3Å; L582-L584 PolarHBondContact O-N 2.71Å; L582-L585 PolarHBondContact O-N 3.08Å; L582-L586 HydrophobicContact CD1-CD1 4.11Å; L582-L586 HydrophobicContact CD1-CG 4.07Å; L582-L586 HydrophobicContact CG-CD1 3.99Å; L582-L586 HydrophobicContact CG-CG 4.38Å; L582-L586 WeakPolarHBondContact O-CB 3.04Å; L582-L586 VanDerWaalsContact O-CG 3.29Å; L582-L586 WeakPolarHBondContact O-CG 3.43Å; L582-L586 PolarHBondContact O-N 3.38Å; L582-T598 HydrophobicContact CD2-CG2 3.89Å; L582-T598 HydrophobicContact CG-CG2 4.25Å |
| 583 | T | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.8 | -44.5 | 174.1 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | L579 H580 S587 A595 L599 T615 L619 | L579-T583 PolarHBondContact O-N 3.02Å; L579-T583 PolarHBondContact O-OG1 2.99Å; H580-T583 WeakPolarHBondContact O-CB 3.03Å; H580-T583 PolarHBondContact O-N 2.89Å; T583-S587 WeakPolarHBondContact O-CB 3.37Å; T583-S587 PolarHBondContact O-N 3.01Å; T583-A595 HydrophobicContact CG2-CB 4.1Å; T583-A595 WeakPolarHBondContact CG2-O 3.46Å; T583-A595 WeakPolarHBondContact O-CB 3Å; T583-A595 PolarHBondContact OG1-O 3.13Å; T583-L599 HydrophobicContact CG2-CB 4Å; T583-L599 HydrophobicContact CG2-CD1 4.31Å; T583-L599 HydrophobicContact CG2-CD2 4.26Å; T583-L599 HydrophobicContact CG2-CG 4.44Å; T583-T615 HydrophobicContact CG2-CG2 4.27Å; T583-L619 HydrophobicContact CG2-CD1 3.69Å |
| 584 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | 179.4 | -64.5 | 177.8 | 0 | 0 | 0 | 112.2 | H580 L581 L582 S587 S588 T615 P856 I857 R858 F860 I862 I863 | H580-L584 WeakPolarHBondContact O-CG 3.5Å; H580-L584 PolarHBondContact O-N 3.38Å; L581-L584 PolarHBondContact O-N 3.16Å; L582-L584 VanDerWaalsContact C-N 3.3Å; L582-L584 PolarHBondContact O-N 2.71Å; L584-S587 PolarHBondContact O-N 3.43Å; L584-S587 PolarHBondContact O-OG 3.26Å; L584-S588 PolarHBondContact O-N 3.02Å; L584-T615 HydrophobicContact CD2-CG2 3.97Å; L584-P856 HydrophobicContact CB-CB 4.44Å; L584-I857 HydrophobicContact CD2-CG2 4.3Å; L584-R858 HydrophobicContact CD2-CB 4.12Å; L584-F860 HydrophobicContact CB-CD1 3.77Å; L584-F860 HydrophobicContact CB-CE1 3.63Å; L584-F860 HydrophobicContact CD1-CD1 4.03Å; L584-I862 HydrophobicContact CD1-CD1 3.89Å; L584-I862 HydrophobicContact CD1-CG1 4.03Å; L584-I862 HydrophobicContact CD2-CD1 4.18Å; L584-I863 HydrophobicContact CD1-CD1 4.12Å; L584-I863 HydrophobicContact CD1-CG1 4.39Å |
| 585 | L | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.1 | -45.5 | 176.8 | -73.7 | 174.2 | 0 | 0 | 0 | 111.6 | A553 V558 A561 M562 L565 L581 L582 S587 S588 Q589 F860 | A553-L585 HydrophobicContact CB-CD2 3.81Å; V558-L585 HydrophobicContact CB-CD2 4.49Å; V558-L585 HydrophobicContact CG1-CD2 3.98Å; A561-L585 HydrophobicContact CB-CD1 3.95Å; A561-L585 HydrophobicContact CB-CD2 3.96Å; M562-L585 HydrophobicContact SD-CB 3.92Å; M562-L585 HydrophobicContact SD-CD1 3.87Å; L565-L585 HydrophobicContact CD2-CD1 3.59Å; L581-L585 HydrophobicContact CD1-CD1 4.45Å; L581-L585 HydrophobicContact CD1-CG 4.24Å; L581-L585 HydrophobicContact CG-CD1 4.17Å; L581-L585 HydrophobicContact CG-CG 4.41Å; L581-L585 WeakPolarHBondContact O-CB 3.27Å; L581-L585 WeakPolarHBondContact O-CG 3.34Å; L581-L585 PolarHBondContact O-N 3.32Å; L582-L585 PolarHBondContact O-N 3.08Å; L585-S587 VanDerWaalsContact C-N 3.28Å; L585-S587 PolarHBondContact O-N 3.44Å; L585-S588 WeakPolarHBondContact CA-OG 3.24Å; L585-S588 WeakPolarHBondContact O-CB 3.27Å; L585-S588 PolarHBondContact O-N 3.48Å; L585-S588 PolarHBondContact O-OG 3.05Å; L585-Q589 WeakPolarHBondContact O-CG 3.45Å; L585-Q589 PolarHBondContact O-N 3.41Å; L585-F860 HydrophobicContact CD2-CE1 3.92Å; L585-F860 HydrophobicContact CD2-CZ 3.96Å; L585-F860 HydrophobicContact CG-CE1 4.25Å |
| 586 | L | 96.3 | Very high | 95.2 | Very high | 22 Ų | 22 | 35 Ų | 35 | 12% | 0.115 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 173.7 | -70.1 | 174.3 | 0 | 0 | 0 | 111.3 | L582 S588 Q589 K590 H591 H594 A595 | L582-L586 HydrophobicContact CD1-CD1 4.11Å; L582-L586 HydrophobicContact CD1-CG 4.07Å; L582-L586 HydrophobicContact CG-CD1 3.99Å; L582-L586 HydrophobicContact CG-CG 4.38Å; L582-L586 WeakPolarHBondContact O-CB 3.04Å; L582-L586 VanDerWaalsContact O-CG 3.29Å; L582-L586 WeakPolarHBondContact O-CG 3.43Å; L582-L586 PolarHBondContact O-N 3.38Å; L586-S588 VanDerWaalsContact C-N 3.31Å; L586-S588 PolarHBondContact O-N 2.94Å; L586-Q589 CarbonylContact O-C 3.4Å; L586-Q589 PolarHBondContact O-N 2.9Å; L586-K590 PolarHBondContact O-N 3.05Å; L586-H591 HydrophobicContact CB-CB 4.42Å; L586-H591 HydrophobicContact CD2-CB 4.42Å; L586-H591 PolarHBondContact O-N 3.35Å; L586-H594 HydrophobicContact CD1-CB 4.11Å; L586-A595 HydrophobicContact CB-CB 3.86Å |
| 587 | S | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -35.7 | 175 | 83.4 | 0 | 0 | 0 | 0 | 112.6 | T583 L584 L585 Q589 K590 H592 I857 | T583-S587 WeakPolarHBondContact O-CB 3.37Å; T583-S587 PolarHBondContact O-N 3.01Å; L584-S587 PolarHBondContact O-N 3.43Å; L584-S587 PolarHBondContact O-OG 3.26Å; L585-S587 VanDerWaalsContact C-N 3.28Å; L585-S587 PolarHBondContact O-N 3.44Å; S587-Q589 VanDerWaalsContact C-N 3.28Å; S587-Q589 PolarHBondContact O-N 3.31Å; S587-K590 PolarHBondContact O-N 2.7Å; S587-H592 PolarHBondContact O-CE1 3.35Å; S587-I857 PolarHBondContact OG-N 3.16Å |
| 588 | S | 94.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.8 | -28.9 | 177.1 | 74.2 | 0 | 0 | 0 | 0 | 112.6 | V558 L584 L585 L586 K590 S855 | V558-S588 WeakPolarHBondContact CG1-OG 3.37Å; L584-S588 PolarHBondContact O-N 3.02Å; L585-S588 WeakPolarHBondContact CA-OG 3.24Å; L585-S588 WeakPolarHBondContact O-CB 3.27Å; L585-S588 PolarHBondContact O-N 3.48Å; L585-S588 PolarHBondContact O-OG 3.05Å; L586-S588 VanDerWaalsContact C-N 3.31Å; L586-S588 PolarHBondContact O-N 2.94Å; S588-K590 PolarHBondContact O-N 3.29Å; S588-S855 WeakPolarHBondContact CA-O 3.4Å |
| 589 | Q | 94.3 | Very high | 95.3 | Very high | 67 Ų | 67 | 36.8 Ų | 36.8 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 6.1 | 171.5 | -61.9 | 174.3 | 6.5 | 0 | 0 | 113.1 | V558 L585 L586 S587 H591 | V558-Q589 HydrophobicContact CG1-CG 3.73Å; L585-Q589 WeakPolarHBondContact O-CG 3.45Å; L585-Q589 PolarHBondContact O-N 3.41Å; L586-Q589 CarbonylContact O-C 3.4Å; L586-Q589 PolarHBondContact O-N 2.9Å; S587-Q589 VanDerWaalsContact C-N 3.28Å; S587-Q589 PolarHBondContact O-N 3.31Å; Q589-H591 WeakPolarHBondContact CB-ND1 3.44Å; Q589-H591 PolarHBondContact O-N 2.77Å; Q589-H591 PolarHBondContact OE1-ND1 2.79Å |
| 590 | K | 93.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 39.6 Ų | 39.6 | 40% | 0.404 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 15.4 | -175.6 | -45.4 | -57.7 | 178 | -175.5 | 0 | 114.9 | L586 S587 S588 H592 E852 | L586-K590 PolarHBondContact O-N 3.05Å; S587-K590 PolarHBondContact O-N 2.7Å; S588-K590 PolarHBondContact O-N 3.29Å; K590-H592 PolarHBondContact O-N 2.97Å; K590-E852 WeakPolarHBondContact CE-O 3.14Å; K590-E852 PolarHBondContact NZ-O 3.3Å |
| 591 | H | 95.2 | Very high | 95 | Very high | 92 Ų | 92 | 43.9 Ų | 43.9 | 43% | 0.426 | 21% | 0.207 | S | C | . | . | trans | -80.7 | 57 | 171 | -63 | 126.2 | 0 | 0 | 0 | 111.2 | L586 Q589 R593 H594 A595 | L586-H591 HydrophobicContact CB-CB 4.42Å; L586-H591 HydrophobicContact CD2-CB 4.42Å; L586-H591 PolarHBondContact O-N 3.35Å; Q589-H591 WeakPolarHBondContact CB-ND1 3.44Å; Q589-H591 PolarHBondContact O-N 2.77Å; Q589-H591 PolarHBondContact OE1-ND1 2.79Å; H591-R593 VanDerWaalsContact C-N 3.28Å; H591-R593 PolarHBondContact O-N 2.91Å; H591-H594 PolarHBondContact O-N 3.16Å; H591-A595 WeakPolarHBondContact O-CB 3.49Å; H591-A595 PolarHBondContact O-N 3.25Å | ||
| 592 | H | 94.7 | Very high | 94.8 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 13% | 0.134 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -33.5 | -172.7 | -64.3 | -54.1 | 0 | 0 | 0 | 113.7 | S587 K590 A595 L596 M623 | S587-H592 PolarHBondContact O-CE1 3.35Å; K590-H592 PolarHBondContact O-N 2.97Å; H592-A595 PolarHBondContact O-N 3.19Å; H592-L596 WeakPolarHBondContact O-CB 3.5Å; H592-L596 PolarHBondContact O-N 3.17Å; H592-M623 HydrophobicContact CB-CE 3.95Å; H592-M623 HydrophobicContact CB-CG 3.63Å; H592-M623 HydrophobicContact CB-SD 3.39Å; H592-M623 WeakPolarHBondContact CB-SD 3.44Å |
| 593 | R | 94.9 | Very high | 94.7 | Very high | 179 Ų | 179 | 43.4 Ų | 43.4 | 68% | 0.675 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -62.6 | -52.6 | 176.8 | -177.1 | -179 | 175.3 | 130.1 | 0.8 | 112.1 | H591 A595 L596 E597 | H591-R593 VanDerWaalsContact C-N 3.28Å; H591-R593 PolarHBondContact O-N 2.91Å; R593-A595 VanDerWaalsContact C-N 3.28Å; R593-A595 PolarHBondContact O-N 2.77Å; R593-L596 PolarHBondContact O-N 2.93Å; R593-E597 IonicContact CZ-OE1 3.44Å; R593-E597 IonicContact NE-OE1 3.28Å; R593-E597 PolarHBondContact NE-OE1 3.37Å; R593-E597 IonicContact NH2-OE1 3.19Å; R593-E597 WeakPolarHBondContact O-CG 3.31Å; R593-E597 PolarHBondContact O-N 3.46Å |
| 594 | H | 94.9 | Very high | 94.5 | Very high | 99 Ų | 99 | 47.7 Ų | 47.7 | 46% | 0.458 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.9 | -34.2 | 178.3 | -64.5 | -48.9 | 0 | 0 | 0 | 111.9 | L586 H591 E597 T598 | L586-H594 HydrophobicContact CD1-CB 4.11Å; H591-H594 PolarHBondContact O-N 3.16Å; H594-E597 IonicContact ND1-OE2 2.65Å; H594-E597 PolarHBondContact ND1-OE2 3.47Å; H594-E597 VanDerWaalsContact ND1-OE2 3.16Å; H594-E597 PolarHBondContact O-N 3.47Å; H594-T598 WeakPolarHBondContact O-CB 3.19Å; H594-T598 PolarHBondContact O-N 2.99Å; H594-T598 PolarHBondContact O-OG1 3.27Å |
| 595 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | T583 L586 H591 H592 R593 L599 L619 | T583-A595 HydrophobicContact CG2-CB 4.1Å; T583-A595 WeakPolarHBondContact CG2-O 3.46Å; T583-A595 WeakPolarHBondContact O-CB 3Å; T583-A595 PolarHBondContact OG1-O 3.13Å; L586-A595 HydrophobicContact CB-CB 3.86Å; H591-A595 WeakPolarHBondContact O-CB 3.49Å; H591-A595 PolarHBondContact O-N 3.25Å; H592-A595 PolarHBondContact O-N 3.19Å; R593-A595 VanDerWaalsContact C-N 3.28Å; R593-A595 PolarHBondContact O-N 2.77Å; A595-L599 VanDerWaalsContact O-CB 3.29Å; A595-L599 WeakPolarHBondContact O-CB 3.31Å; A595-L599 PolarHBondContact O-N 2.61Å; A595-L619 HydrophobicContact CB-CD1 4.08Å; A595-L619 HydrophobicContact CB-CD2 4.22Å |
| 596 | L | 95.4 | Very high | 93.8 | Very high | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 177.5 | -172.1 | 67.7 | 0 | 0 | 0 | 111.6 | H592 R593 T598 L599 T600 K616 L619 E620 | H592-L596 WeakPolarHBondContact O-CB 3.5Å; H592-L596 PolarHBondContact O-N 3.17Å; R593-L596 PolarHBondContact O-N 2.93Å; L596-T598 PolarHBondContact O-N 3.44Å; L596-L599 PolarHBondContact O-N 3.45Å; L596-T600 HydrophobicContact CG-CG2 4.37Å; L596-T600 WeakPolarHBondContact O-CG2 3.34Å; L596-T600 PolarHBondContact O-N 2.85Å; L596-T600 PolarHBondContact O-OG1 3.4Å; L596-K616 HydrophobicContact CD1-CG 4.19Å; L596-L619 HydrophobicContact CD1-CB 4.18Å; L596-E620 HydrophobicContact CD1-CG 4.16Å |
| 597 | E | 94.8 | Very high | 93.4 | Very high | 84 Ų | 84 | 56.3 Ų | 56.3 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 175.3 | -73.1 | 166.6 | -178.4 | 0 | 0 | 111 | R593 H594 L599 T600 L601 | R593-E597 IonicContact CZ-OE1 3.44Å; R593-E597 IonicContact NE-OE1 3.28Å; R593-E597 PolarHBondContact NE-OE1 3.37Å; R593-E597 IonicContact NH2-OE1 3.19Å; R593-E597 WeakPolarHBondContact O-CG 3.31Å; R593-E597 PolarHBondContact O-N 3.46Å; H594-E597 IonicContact ND1-OE2 2.65Å; H594-E597 PolarHBondContact ND1-OE2 3.47Å; H594-E597 VanDerWaalsContact ND1-OE2 3.16Å; H594-E597 PolarHBondContact O-N 3.47Å; E597-L599 VanDerWaalsContact C-N 3.31Å; E597-L599 PolarHBondContact O-N 3.32Å; E597-T600 WeakPolarHBondContact CA-OG1 3.46Å; E597-T600 PolarHBondContact O-N 3.01Å; E597-T600 PolarHBondContact O-OG1 3.1Å; E597-L601 PolarHBondContact O-N 3.46Å |
| 598 | T | 93.4 | Very high | 93 | Very high | 27 Ų | 27 | 60.3 Ų | 60.3 | 17% | 0.166 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 176.3 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | L579 L582 H594 L596 L601 A602 | L579-T598 HydrophobicContact CD2-CG2 4.42Å; L582-T598 HydrophobicContact CD2-CG2 3.89Å; L582-T598 HydrophobicContact CG-CG2 4.25Å; H594-T598 WeakPolarHBondContact O-CB 3.19Å; H594-T598 PolarHBondContact O-N 2.99Å; H594-T598 PolarHBondContact O-OG1 3.27Å; L596-T598 PolarHBondContact O-N 3.44Å; T598-L601 WeakPolarHBondContact O-CB 3.34Å; T598-L601 PolarHBondContact O-N 2.95Å; T598-A602 PolarHBondContact O-N 3.38Å |
| 599 | L | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 179.9 | -172.1 | 63.5 | 0 | 0 | 0 | 112.1 | T583 A595 L596 E597 L601 A602 L603 L612 T615 K616 L619 | T583-L599 HydrophobicContact CG2-CB 4Å; T583-L599 HydrophobicContact CG2-CD1 4.31Å; T583-L599 HydrophobicContact CG2-CD2 4.26Å; T583-L599 HydrophobicContact CG2-CG 4.44Å; A595-L599 VanDerWaalsContact O-CB 3.29Å; A595-L599 WeakPolarHBondContact O-CB 3.31Å; A595-L599 PolarHBondContact O-N 2.61Å; L596-L599 PolarHBondContact O-N 3.45Å; E597-L599 VanDerWaalsContact C-N 3.31Å; E597-L599 PolarHBondContact O-N 3.32Å; L599-L601 VanDerWaalsContact C-N 3.31Å; L599-A602 PolarHBondContact O-N 3.34Å; L599-L603 HydrophobicContact CG-CD1 4.14Å; L599-L603 WeakPolarHBondContact O-CB 3.08Å; L599-L603 WeakPolarHBondContact O-CG 3.35Å; L599-L603 PolarHBondContact O-N 2.97Å; L599-L612 HydrophobicContact CD1-CB 3.9Å; L599-L612 HydrophobicContact CD1-CD2 3.74Å; L599-L612 HydrophobicContact CD1-CG 4.28Å; L599-T615 HydrophobicContact CD2-CG2 4.32Å; L599-K616 HydrophobicContact CD2-CB 3.56Å; L599-K616 HydrophobicContact CD2-CG 4.45Å; L599-K616 VanDerWaalsContact CD2-N 3.3Å; L599-K616 HydrophobicContact CG-CB 4.44Å; L599-L619 HydrophobicContact CD2-CD1 3.89Å |
| 600 | T | 93.6 | Very high | 92.7 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -36.1 | 174.7 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | L596 E597 L603 S604 | L596-T600 HydrophobicContact CG-CG2 4.37Å; L596-T600 WeakPolarHBondContact O-CG2 3.34Å; L596-T600 PolarHBondContact O-N 2.85Å; L596-T600 PolarHBondContact O-OG1 3.4Å; E597-T600 WeakPolarHBondContact CA-OG1 3.46Å; E597-T600 PolarHBondContact O-N 3.01Å; E597-T600 PolarHBondContact O-OG1 3.1Å; T600-L603 PolarHBondContact O-N 3.4Å; T600-S604 PolarHBondContact O-N 3.26Å |
| 601 | L | 91.2 | Very high | 92.6 | Very high | 98 Ų | 98 | 58.3 Ų | 58.3 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -50.9 | 171.1 | -172.6 | 96.1 | 0 | 0 | 0 | 110.4 | E597 T598 L599 L603 S604 Q605 | E597-L601 PolarHBondContact O-N 3.46Å; T598-L601 WeakPolarHBondContact O-CB 3.34Å; T598-L601 PolarHBondContact O-N 2.95Å; L599-L601 VanDerWaalsContact C-N 3.31Å; L601-L603 VanDerWaalsContact C-N 3.32Å; L601-L603 PolarHBondContact O-N 3.3Å; L601-S604 WeakPolarHBondContact O-CB 3.48Å; L601-S604 PolarHBondContact O-N 2.88Å; L601-S604 VanDerWaalsContact O-N 3.1Å; L601-S604 PolarHBondContact O-OG 2.93Å; L601-Q605 PolarHBondContact O-N 3.03Å |
| 602 | A | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L579 T598 L599 S604 Q605 H606 L612 | L579-A602 HydrophobicContact CB-CB 4.2Å; L579-A602 HydrophobicContact CD1-CB 4.01Å; T598-A602 PolarHBondContact O-N 3.38Å; L599-A602 PolarHBondContact O-N 3.34Å; A602-S604 VanDerWaalsContact C-N 3.3Å; A602-S604 PolarHBondContact O-N 2.87Å; A602-Q605 PolarHBondContact O-N 3.03Å; A602-H606 PolarHBondContact O-N 3.46Å; A602-L612 HydrophobicContact CB-CD1 4.06Å |
| 603 | L | 93.7 | Very high | 92.6 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.4 | -25 | 176.7 | -76.5 | 169.4 | 0 | 0 | 0 | 113.4 | L599 T600 L601 Q605 H606 P607 L612 L613 K616 | L599-L603 HydrophobicContact CG-CD1 4.14Å; L599-L603 WeakPolarHBondContact O-CB 3.08Å; L599-L603 WeakPolarHBondContact O-CG 3.35Å; L599-L603 PolarHBondContact O-N 2.97Å; T600-L603 PolarHBondContact O-N 3.4Å; L601-L603 VanDerWaalsContact C-N 3.32Å; L601-L603 PolarHBondContact O-N 3.3Å; L603-Q605 VanDerWaalsContact C-N 3.29Å; L603-H606 CarbonylContact O-C 3.56Å; L603-P607 VanDerWaalsContact O-CA 3.29Å; L603-P607 WeakPolarHBondContact O-CA 3.35Å; L603-P607 VanDerWaalsContact O-N 3.15Å; L603-L612 HydrophobicContact CD2-CB 3.62Å; L603-L612 HydrophobicContact CD2-CD1 4.27Å; L603-L612 HydrophobicContact CG-CB 4.13Å; L603-L613 HydrophobicContact CD1-CD2 3.88Å; L603-L613 HydrophobicContact CD2-CD2 3.64Å; L603-L613 HydrophobicContact CD2-CG 3.79Å; L603-L613 HydrophobicContact CG-CD2 4.41Å; L603-K616 HydrophobicContact CD1-CB 4.17Å; L603-K616 HydrophobicContact CD1-CD 3.65Å; L603-K616 HydrophobicContact CD1-CG 4.41Å |
| 604 | S | 92.2 | Very high | 92.6 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -68.3 | -31.5 | 174.1 | 75.1 | 0 | 0 | 0 | 0 | 112.2 | T600 L601 A602 | T600-S604 PolarHBondContact O-N 3.26Å; L601-S604 WeakPolarHBondContact O-CB 3.48Å; L601-S604 PolarHBondContact O-N 2.88Å; L601-S604 VanDerWaalsContact O-N 3.1Å; L601-S604 PolarHBondContact O-OG 2.93Å; A602-S604 VanDerWaalsContact C-N 3.3Å; A602-S604 PolarHBondContact O-N 2.87Å |
| 605 | Q | 89.6 | Confident | 92.6 | Very high | 79 Ų | 79 | 39.7 Ų | 39.7 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -84.4 | -37.6 | 174.2 | -63.5 | 178.1 | -17.6 | 0 | 0 | 111.9 | D574 L601 A602 L603 P607 | D574-Q605 PolarHBondContact OD1-NE2 3.02Å; L601-Q605 PolarHBondContact O-N 3.03Å; A602-Q605 PolarHBondContact O-N 3.03Å; L603-Q605 VanDerWaalsContact C-N 3.29Å; Q605-P607 VanDerWaalsContact C-CD 3.41Å; Q605-P607 VanDerWaalsContact O-CD 3.29Å; Q605-P607 WeakPolarHBondContact O-CD 3.45Å |
| 606 | H | 89.4 | Confident | 92.6 | Very high | 75 Ų | 75 | 41 Ų | 41 | 35% | 0.347 | 22% | 0.222 | S | C | . | . | trans | -123.8 | 71.9 | -176.6 | -63.1 | -68 | 0 | 0 | 0 | 112.1 | L576 A602 L603 D608 N609 | L576-H606 HydrophobicContact CD1-CB 3.81Å; A602-H606 PolarHBondContact O-N 3.46Å; L603-H606 CarbonylContact O-C 3.56Å; H606-D608 PolarHBondContact O-N 3.35Å; H606-D608 VanDerWaalsContact O-N 3.15Å; H606-N609 HydrophobicContact CB-CB 4.48Å; H606-N609 PolarHBondContact O-N 3.05Å | ||
| 607 | P | 88.3 | Confident | 92.7 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 31% | 0.312 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -31.7 | -176.2 | 13.5 | -25.9 | 0 | 0 | 0 | 113.9 | L603 Q605 R639 | L603-P607 VanDerWaalsContact O-CA 3.29Å; L603-P607 WeakPolarHBondContact O-CA 3.35Å; L603-P607 VanDerWaalsContact O-N 3.15Å; Q605-P607 VanDerWaalsContact C-CD 3.41Å; Q605-P607 VanDerWaalsContact O-CD 3.29Å; Q605-P607 WeakPolarHBondContact O-CD 3.45Å; P607-R639 VanDerWaalsContact C-NH1 3.27Å; P607-R639 PolarHBondContact O-NH1 3.44Å |
| 608 | D | 86.8 | Confident | 92.7 | Very high | 85 Ų | 85 | 36.6 Ų | 36.6 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 3.6 | -167 | -68.8 | -31.1 | 0 | 0 | 0 | 114.3 | H606 F610 R639 Q643 | H606-D608 PolarHBondContact O-N 3.35Å; H606-D608 VanDerWaalsContact O-N 3.15Å; D608-F610 PolarHBondContact O-N 3.47Å; D608-R639 IonicContact OD1-NH1 3.82Å; D608-Q643 PolarHBondContact OD1-NE2 3.32Å |
| 609 | N | 91.1 | Very high | 92.8 | Very high | 39 Ų | 39 | 35.3 Ų | 35.3 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | trans | -82.3 | 99.7 | -179 | -167 | -41.6 | 0 | 0 | 0 | 112 | L576 H606 N611 L612 L613 | L576-N609 HydrophobicContact CD1-CB 4.22Å; L576-N609 WeakPolarHBondContact CD1-ND2 3.13Å; L576-N609 WeakPolarHBondContact CD2-ND2 3.47Å; H606-N609 HydrophobicContact CB-CB 4.48Å; H606-N609 PolarHBondContact O-N 3.05Å; N609-N611 VanDerWaalsContact C-N 3.27Å; N609-N611 PolarHBondContact O-N 3.12Å; N609-N611 WeakPolarHBondContact OD1-CB 3.32Å; N609-N611 PolarHBondContact OD1-N 3.31Å; N609-L612 HydrophobicContact CB-CB 4.31Å; N609-L612 HydrophobicContact CB-CD1 4.1Å; N609-L612 HydrophobicContact CB-CG 4.08Å; N609-L612 PolarHBondContact O-N 3.31Å; N609-L612 PolarHBondContact OD1-N 2.85Å; N609-L613 PolarHBondContact O-N 3.25Å; N609-L613 VanDerWaalsContact O-N 3.11Å | ||
| 610 | F | 91.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -29.8 | 178.1 | -63.3 | -77.9 | 0 | 0 | 0 | 114 | D608 L613 L614 M636 R639 W640 Y644 T719 I723 | D608-F610 PolarHBondContact O-N 3.47Å; F610-L613 HydrophobicContact CD1-CD1 4.48Å; F610-L613 PolarHBondContact O-N 3.37Å; F610-L614 WeakPolarHBondContact O-CB 3.18Å; F610-L614 WeakPolarHBondContact O-CG 3.35Å; F610-L614 PolarHBondContact O-N 2.68Å; F610-M636 HydrophobicContact CB-CE 4.36Å; F610-M636 HydrophobicContact CD1-CE 3.99Å; F610-R639 HydrophobicContact CE1-CB 4.48Å; F610-W640 HydrophobicContact CE1-CB 4.03Å; F610-W640 HydrophobicContact CZ-CB 3.95Å; F610-Y644 HydrophobicContact CE2-CE2 4.48Å; F610-T719 HydrophobicContact CB-CG2 3.76Å; F610-T719 HydrophobicContact CD1-CG2 3.97Å; F610-T719 HydrophobicContact CD2-CG2 3.76Å; F610-T719 HydrophobicContact CE2-CG2 4.35Å; F610-T719 HydrophobicContact CG-CG2 3.54Å; F610-I723 HydrophobicContact CD1-CD1 3.97Å; F610-I723 HydrophobicContact CE1-CD1 4.01Å |
| 611 | N | 91.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 35.6 Ų | 35.6 | 33% | 0.326 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.9 | -36.6 | 177.5 | -76.3 | -36.8 | 0 | 0 | 0 | 112.1 | N609 T615 R858 | N609-N611 VanDerWaalsContact C-N 3.27Å; N609-N611 PolarHBondContact O-N 3.12Å; N609-N611 WeakPolarHBondContact OD1-CB 3.32Å; N609-N611 PolarHBondContact OD1-N 3.31Å; N611-T615 PolarHBondContact O-N 2.93Å; N611-T615 PolarHBondContact O-OG1 3.43Å; N611-R858 PolarHBondContact O-NH1 3.04Å; N611-R858 VanDerWaalsContact O-NH1 3.1Å |
| 612 | L | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.8 | -45.6 | 173 | -65.1 | -174.3 | 0 | 0 | 0 | 110.7 | L576 H580 L599 A602 L603 N609 L614 T615 K616 | L576-L612 HydrophobicContact CD1-CD1 3.91Å; L576-L612 HydrophobicContact CG-CD1 4.08Å; H580-L612 HydrophobicContact CB-CD2 3.7Å; H580-L612 VanDerWaalsContact CG-CD2 3.45Å; L599-L612 HydrophobicContact CD1-CB 3.9Å; L599-L612 HydrophobicContact CD1-CD2 3.74Å; L599-L612 HydrophobicContact CD1-CG 4.28Å; A602-L612 HydrophobicContact CB-CD1 4.06Å; L603-L612 HydrophobicContact CD2-CB 3.62Å; L603-L612 HydrophobicContact CD2-CD1 4.27Å; L603-L612 HydrophobicContact CG-CB 4.13Å; N609-L612 HydrophobicContact CB-CB 4.31Å; N609-L612 HydrophobicContact CB-CD1 4.1Å; N609-L612 HydrophobicContact CB-CG 4.08Å; N609-L612 PolarHBondContact O-N 3.31Å; N609-L612 PolarHBondContact OD1-N 2.85Å; L612-L614 PolarHBondContact O-N 2.68Å; L612-T615 CarbonylContact O-C 3.27Å; L612-T615 WeakPolarHBondContact O-CA 3.26Å; L612-T615 WeakPolarHBondContact O-CB 3.31Å; L612-T615 PolarHBondContact O-N 3.24Å; L612-K616 PolarHBondContact O-N 3.1Å |
| 613 | L | 94.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 177.5 | -67.6 | 170.3 | 0 | 0 | 0 | 112.2 | L603 N609 F610 T615 K616 V617 T632 M636 | L603-L613 HydrophobicContact CD1-CD2 3.88Å; L603-L613 HydrophobicContact CD2-CD2 3.64Å; L603-L613 HydrophobicContact CD2-CG 3.79Å; L603-L613 HydrophobicContact CG-CD2 4.41Å; N609-L613 PolarHBondContact O-N 3.25Å; N609-L613 VanDerWaalsContact O-N 3.11Å; F610-L613 HydrophobicContact CD1-CD1 4.48Å; F610-L613 PolarHBondContact O-N 3.37Å; L613-T615 PolarHBondContact O-N 3.34Å; L613-K616 HydrophobicContact CD2-CD 4.49Å; L613-K616 WeakPolarHBondContact O-CA 3.41Å; L613-K616 WeakPolarHBondContact O-CB 3.34Å; L613-K616 PolarHBondContact O-N 3.43Å; L613-V617 WeakPolarHBondContact O-CG2 3.48Å; L613-V617 PolarHBondContact O-N 2.9Å; L613-T632 HydrophobicContact CD2-CG2 4.29Å; L613-M636 HydrophobicContact CB-CE 3.9Å; L613-M636 HydrophobicContact CB-CG 3.63Å; L613-M636 HydrophobicContact CB-SD 3.68Å; L613-M636 HydrophobicContact CD1-CG 3.7Å; L613-M636 HydrophobicContact CG-CG 4.18Å |
| 614 | L | 95.2 | Very high | 92.8 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -31.7 | 172.7 | -72.5 | 168.9 | 0 | 0 | 0 | 112.5 | F610 L612 K618 M636 Q726 R858 | F610-L614 WeakPolarHBondContact O-CB 3.18Å; F610-L614 WeakPolarHBondContact O-CG 3.35Å; F610-L614 PolarHBondContact O-N 2.68Å; L612-L614 PolarHBondContact O-N 2.68Å; L614-K618 PolarHBondContact O-N 3.46Å; L614-M636 HydrophobicContact CD2-CE 3.65Å; L614-M636 HydrophobicContact CD2-SD 4.46Å; L614-M636 HydrophobicContact CG-CE 3.57Å; L614-Q726 HydrophobicContact CD2-CB 4.37Å; L614-Q726 HydrophobicContact CD2-CG 3.47Å; L614-Q726 VanDerWaalsContact CD2-CG 3.47Å; L614-R858 VanDerWaalsContact CB-NH1 3.33Å |
| 615 | T | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.4 | -34.8 | 175.1 | -49.8 | 0 | 0 | 0 | 0 | 111.2 | H580 T583 L584 L599 N611 L612 L613 K618 L619 I857 R858 | H580-T615 PolarHBondContact NE2-OG1 3.31Å; T583-T615 HydrophobicContact CG2-CG2 4.27Å; L584-T615 HydrophobicContact CD2-CG2 3.97Å; L599-T615 HydrophobicContact CD2-CG2 4.32Å; N611-T615 PolarHBondContact O-N 2.93Å; N611-T615 PolarHBondContact O-OG1 3.43Å; L612-T615 CarbonylContact O-C 3.27Å; L612-T615 WeakPolarHBondContact O-CA 3.26Å; L612-T615 WeakPolarHBondContact O-CB 3.31Å; L612-T615 PolarHBondContact O-N 3.24Å; L613-T615 PolarHBondContact O-N 3.34Å; T615-K618 PolarHBondContact O-N 3.09Å; T615-L619 WeakPolarHBondContact O-CG 3.19Å; T615-L619 PolarHBondContact O-N 2.92Å; T615-I857 HydrophobicContact CG2-CG2 4.21Å; T615-R858 PolarHBondContact OG1-NH1 3.45Å; T615-R858 VanDerWaalsContact OG1-NH1 3.1Å |
| 616 | K | 95.8 | Very high | 92.9 | Very high | 26 Ų | 26 | 36.7 Ų | 36.7 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 174.2 | 178.9 | -176.1 | 165.4 | -158 | 0 | 110 | L596 L599 L603 L612 L613 K618 L619 E620 T632 E635 | L596-K616 HydrophobicContact CD1-CG 4.19Å; L599-K616 HydrophobicContact CD2-CB 3.56Å; L599-K616 HydrophobicContact CD2-CG 4.45Å; L599-K616 VanDerWaalsContact CD2-N 3.3Å; L599-K616 HydrophobicContact CG-CB 4.44Å; L603-K616 HydrophobicContact CD1-CB 4.17Å; L603-K616 HydrophobicContact CD1-CD 3.65Å; L603-K616 HydrophobicContact CD1-CG 4.41Å; L612-K616 PolarHBondContact O-N 3.1Å; L613-K616 HydrophobicContact CD2-CD 4.49Å; L613-K616 WeakPolarHBondContact O-CA 3.41Å; L613-K616 WeakPolarHBondContact O-CB 3.34Å; L613-K616 PolarHBondContact O-N 3.43Å; K616-K618 VanDerWaalsContact C-N 3.28Å; K616-K618 PolarHBondContact O-N 3.12Å; K616-L619 PolarHBondContact O-N 3.43Å; K616-E620 WeakPolarHBondContact CE-OE1 3.47Å; K616-E620 HydrophobicContact CG-CG 4.23Å; K616-E620 IonicContact NZ-OE1 2.77Å; K616-E620 WeakPolarHBondContact O-CB 3.47Å; K616-E620 WeakPolarHBondContact O-CG 3.38Å; K616-E620 PolarHBondContact O-N 2.89Å; K616-T632 HydrophobicContact CB-CG2 4.4Å; K616-T632 HydrophobicContact CD-CG2 3.8Å; K616-T632 WeakPolarHBondContact CE-OG1 3.37Å; K616-T632 HydrophobicContact CG-CG2 4.16Å; K616-T632 PolarHBondContact NZ-OG1 3.38Å; K616-T632 VanDerWaalsContact NZ-OG1 3.16Å; K616-E635 IonicContact NZ-OE2 2.99Å; K616-E635 PolarHBondContact NZ-OE2 3.08Å |
| 617 | V | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -49.4 | -49.1 | 174.8 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | L613 E620 E621 A629 T632 M636 L730 | L613-V617 WeakPolarHBondContact O-CG2 3.48Å; L613-V617 PolarHBondContact O-N 2.9Å; V617-E620 PolarHBondContact O-N 3.22Å; V617-E621 WeakPolarHBondContact O-CB 3.35Å; V617-E621 PolarHBondContact O-N 3.35Å; V617-A629 HydrophobicContact CG1-CB 4.19Å; V617-A629 WeakPolarHBondContact O-CB 3.48Å; V617-T632 HydrophobicContact CG2-CG2 3.61Å; V617-M636 HydrophobicContact CG2-SD 4.03Å; V617-L730 HydrophobicContact CG1-CD1 3.83Å; V617-L730 HydrophobicContact CG1-CG 4.5Å |
| 618 | K | 95.3 | Very high | 92.8 | Very high | 25 Ų | 25 | 34.3 Ų | 34.3 | 11% | 0.109 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.9 | -32.6 | -179.8 | -71.6 | -63.7 | 178.6 | -166.8 | 0 | 114.4 | L614 T615 K616 E621 A622 E729 I857 R858 | L614-K618 PolarHBondContact O-N 3.46Å; T615-K618 PolarHBondContact O-N 3.09Å; K616-K618 VanDerWaalsContact C-N 3.28Å; K616-K618 PolarHBondContact O-N 3.12Å; K618-E621 VanDerWaalsContact CD-OE2 3.26Å; K618-E621 WeakPolarHBondContact CD-OE2 3.32Å; K618-E621 IonicContact NZ-OE2 3.93Å; K618-E621 PolarHBondContact NZ-OE2 3.33Å; K618-A622 PolarHBondContact O-N 3.02Å; K618-E729 VanDerWaalsContact NZ-CD 3.26Å; K618-E729 IonicContact NZ-OE1 3.79Å; K618-E729 IonicContact NZ-OE2 2.79Å; K618-E729 PolarHBondContact NZ-OE2 3.38Å; K618-I857 HydrophobicContact CB-CG1 3.78Å; K618-R858 HydrophobicContact CB-CG 4.21Å; K618-R858 HydrophobicContact CG-CG 4.03Å |
| 619 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.7 | -39 | 173.8 | -74.7 | 171.8 | 0 | 0 | 0 | 112 | T583 A595 L596 L599 T615 K616 A622 M623 I857 | T583-L619 HydrophobicContact CG2-CD1 3.69Å; A595-L619 HydrophobicContact CB-CD1 4.08Å; A595-L619 HydrophobicContact CB-CD2 4.22Å; L596-L619 HydrophobicContact CD1-CB 4.18Å; L599-L619 HydrophobicContact CD2-CD1 3.89Å; T615-L619 WeakPolarHBondContact O-CG 3.19Å; T615-L619 PolarHBondContact O-N 2.92Å; K616-L619 PolarHBondContact O-N 3.43Å; L619-A622 PolarHBondContact O-N 3.15Å; L619-M623 WeakPolarHBondContact O-CB 3.29Å; L619-M623 WeakPolarHBondContact O-CG 3.31Å; L619-M623 PolarHBondContact O-N 3.17Å; L619-M623 VanDerWaalsContact O-N 3.07Å; L619-I857 HydrophobicContact CD2-CB 4.09Å; L619-I857 HydrophobicContact CD2-CG1 4.12Å; L619-I857 HydrophobicContact CD2-CG2 3.85Å; L619-I857 HydrophobicContact CG-CG1 4.46Å; L619-I857 HydrophobicContact CG-CG2 4.04Å |
| 620 | E | 94.8 | Very high | 93.1 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 9% | 0.093 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.9 | -70.8 | 177.7 | 156.8 | 0 | 0 | 111.5 | L596 K616 V617 A622 M623 L624 G625 A629 T632 | L596-E620 HydrophobicContact CD1-CG 4.16Å; K616-E620 WeakPolarHBondContact CE-OE1 3.47Å; K616-E620 HydrophobicContact CG-CG 4.23Å; K616-E620 IonicContact NZ-OE1 2.77Å; K616-E620 WeakPolarHBondContact O-CB 3.47Å; K616-E620 WeakPolarHBondContact O-CG 3.38Å; K616-E620 PolarHBondContact O-N 2.89Å; V617-E620 PolarHBondContact O-N 3.22Å; E620-A622 VanDerWaalsContact C-N 3.27Å; E620-A622 PolarHBondContact O-N 3.45Å; E620-M623 PolarHBondContact O-N 3.09Å; E620-L624 HydrophobicContact CG-CD1 4.27Å; E620-L624 WeakPolarHBondContact O-CA 3.4Å; E620-L624 WeakPolarHBondContact O-CB 3.38Å; E620-L624 PolarHBondContact O-N 3.16Å; E620-G625 PolarHBondContact O-N 3.41Å; E620-G625 VanDerWaalsContact O-N 3.07Å; E620-A629 HydrophobicContact CB-CB 4.13Å; E620-T632 PolarHBondContact OE1-OG1 2.62Å; E620-T632 WeakPolarHBondContact OE2-CB 3.39Å; E620-T632 PolarHBondContact OE2-OG1 2.8Å |
| 621 | E | 94.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 32.6 Ų | 32.6 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -54.9 | -45.5 | 172.8 | -175.3 | -177.1 | 178.2 | 0 | 0 | 110.8 | V617 K618 G625 A629 L730 | V617-E621 WeakPolarHBondContact O-CB 3.35Å; V617-E621 PolarHBondContact O-N 3.35Å; K618-E621 VanDerWaalsContact CD-OE2 3.26Å; K618-E621 WeakPolarHBondContact CD-OE2 3.32Å; K618-E621 IonicContact NZ-OE2 3.93Å; K618-E621 PolarHBondContact NZ-OE2 3.33Å; E621-G625 WeakPolarHBondContact O-CA 3.44Å; E621-G625 PolarHBondContact O-N 2.83Å; E621-A629 HydrophobicContact CB-CB 4.23Å; E621-L730 HydrophobicContact CB-CD2 3.97Å; E621-L730 HydrophobicContact CG-CD2 3.74Å |
| 622 | A | 92 | Very high | 93.1 | Very high | 53 Ų | 53 | 29.8 Ų | 29.8 | 44% | 0.438 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -73 | -26.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K618 L619 E620 I857 | K618-A622 PolarHBondContact O-N 3.02Å; L619-A622 PolarHBondContact O-N 3.15Å; E620-A622 VanDerWaalsContact C-N 3.27Å; E620-A622 PolarHBondContact O-N 3.45Å; A622-I857 HydrophobicContact CB-CD1 3.94Å |
| 623 | M | 93.5 | Very high | 93 | Very high | 92 Ų | 92 | 29.8 Ų | 29.8 | 45% | 0.453 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -106.3 | -41.5 | -173.1 | -72.9 | -83.2 | 85.6 | 0 | 0 | 114.7 | H592 L619 E620 | H592-M623 HydrophobicContact CB-CE 3.95Å; H592-M623 HydrophobicContact CB-CG 3.63Å; H592-M623 HydrophobicContact CB-SD 3.39Å; H592-M623 WeakPolarHBondContact CB-SD 3.44Å; L619-M623 WeakPolarHBondContact O-CB 3.29Å; L619-M623 WeakPolarHBondContact O-CG 3.31Å; L619-M623 PolarHBondContact O-N 3.17Å; L619-M623 VanDerWaalsContact O-N 3.07Å; E620-M623 PolarHBondContact O-N 3.09Å |
| 624 | L | 91.9 | Very high | 92.6 | Very high | 114 Ų | 114 | 30.9 Ų | 30.9 | 60% | 0.597 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -115.2 | -13.3 | -169.6 | -57.8 | 175.9 | 0 | 0 | 0 | 112.2 | E620 A628 | E620-L624 HydrophobicContact CG-CD1 4.27Å; E620-L624 WeakPolarHBondContact O-CA 3.4Å; E620-L624 WeakPolarHBondContact O-CB 3.38Å; E620-L624 PolarHBondContact O-N 3.16Å; L624-A628 HydrophobicContact CB-CB 3.62Å; L624-A628 HydrophobicContact CD1-CB 4.03Å; L624-A628 HydrophobicContact CG-CB 4.49Å |
| 625 | G | 91.9 | Very high | 92.4 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 21% | 0.206 | 19% | 0.192 | C | C | . | . | trans | 91.2 | 176.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E620 E621 A627 A628 | E620-G625 PolarHBondContact O-N 3.41Å; E620-G625 VanDerWaalsContact O-N 3.07Å; E621-G625 WeakPolarHBondContact O-CA 3.44Å; E621-G625 PolarHBondContact O-N 2.83Å; G625-A627 VanDerWaalsContact C-N 3.32Å; G625-A627 PolarHBondContact O-N 3.3Å; G625-A628 PolarHBondContact O-N 2.97Å | ||
| 626 | P | 91.6 | Very high | 92.2 | Very high | 31 Ų | 31 | 34 Ų | 34 | 20% | 0.201 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -31.2 | -169.9 | 25.4 | -34.2 | 0 | 0 | 0 | 113.4 | A628 A629 L630 L730 D734 | P626-A628 PolarHBondContact O-N 3.38Å; P626-A629 PolarHBondContact O-N 2.66Å; P626-L630 WeakPolarHBondContact O-CG 3.5Å; P626-L630 PolarHBondContact O-N 2.96Å; P626-L730 HydrophobicContact CB-CD2 4.5Å; P626-D734 HydrophobicContact CB-CB 4.17Å; P626-D734 HydrophobicContact CG-CB 3.95Å |
| 627 | A | 87.1 | Confident | 91.8 | Very high | 51 Ų | 51 | 32.8 Ų | 32.8 | 42% | 0.421 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.2 | -38.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G625 | G625-A627 VanDerWaalsContact C-N 3.32Å; G625-A627 PolarHBondContact O-N 3.3Å |
| 628 | A | 89.5 | Confident | 91.4 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.7 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | L624 G625 P626 L630 Q631 T632 | L624-A628 HydrophobicContact CB-CB 3.62Å; L624-A628 HydrophobicContact CD1-CB 4.03Å; L624-A628 HydrophobicContact CG-CB 4.49Å; G625-A628 PolarHBondContact O-N 2.97Å; P626-A628 PolarHBondContact O-N 3.38Å; A628-L630 VanDerWaalsContact C-N 3.27Å; A628-L630 PolarHBondContact O-N 3.41Å; A628-Q631 WeakPolarHBondContact O-CB 3.16Å; A628-Q631 PolarHBondContact O-N 2.93Å; A628-Q631 VanDerWaalsContact O-N 3.08Å; A628-T632 PolarHBondContact O-N 2.89Å |
| 629 | A | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -35.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V617 E620 E621 P626 Q631 T632 C633 L730 | V617-A629 HydrophobicContact CG1-CB 4.19Å; V617-A629 WeakPolarHBondContact O-CB 3.48Å; E620-A629 HydrophobicContact CB-CB 4.13Å; E621-A629 HydrophobicContact CB-CB 4.23Å; P626-A629 PolarHBondContact O-N 2.66Å; A629-Q631 VanDerWaalsContact C-N 3.31Å; A629-Q631 PolarHBondContact O-N 3.24Å; A629-T632 PolarHBondContact O-N 3.09Å; A629-C633 PolarHBondContact O-N 3.08Å; A629-C633 VanDerWaalsContact O-N 3.1Å; A629-L730 HydrophobicContact CB-CD1 3.68Å; A629-L730 HydrophobicContact CB-CD2 3.71Å; A629-L730 HydrophobicContact CB-CG 4.35Å |
| 630 | L | 90.9 | Very high | 90.7 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -32.2 | 175.1 | -77.4 | 170.3 | 0 | 0 | 0 | 113.1 | P626 A628 T632 C633 E634 A727 L730 F731 | P626-L630 WeakPolarHBondContact O-CG 3.5Å; P626-L630 PolarHBondContact O-N 2.96Å; A628-L630 VanDerWaalsContact C-N 3.27Å; A628-L630 PolarHBondContact O-N 3.41Å; L630-T632 VanDerWaalsContact C-N 3.32Å; L630-C633 WeakPolarHBondContact O-CB 3.49Å; L630-C633 PolarHBondContact O-N 3.28Å; L630-E634 PolarHBondContact O-N 2.9Å; L630-A727 HydrophobicContact CD2-CB 4.4Å; L630-L730 HydrophobicContact CD2-CB 3.85Å; L630-L730 HydrophobicContact CD2-CD1 3.91Å; L630-L730 HydrophobicContact CG-CB 4.03Å; L630-L730 HydrophobicContact CG-CD1 4.03Å; L630-F731 HydrophobicContact CD1-CD1 3.86Å; L630-F731 HydrophobicContact CD1-CE1 3.47Å; L630-F731 VanDerWaalsContact CD1-CE1 3.47Å; L630-F731 HydrophobicContact CD1-CZ 3.95Å; L630-F731 HydrophobicContact CD2-CD1 4.43Å; L630-F731 HydrophobicContact CD2-CD2 4.16Å; L630-F731 HydrophobicContact CD2-CE1 4.13Å; L630-F731 HydrophobicContact CD2-CE2 3.86Å; L630-F731 HydrophobicContact CD2-CG 4.43Å; L630-F731 HydrophobicContact CD2-CZ 3.84Å; L630-F731 HydrophobicContact CG-CE1 4.47Å |
| 631 | Q | 90.3 | Very high | 90.1 | Very high | 98 Ų | 98 | 40.4 Ų | 40.4 | 46% | 0.458 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64 | -40.6 | 174.1 | -64.1 | 175.7 | -1.6 | 0 | 0 | 110.7 | A628 A629 C633 E634 E635 A691 | A628-Q631 WeakPolarHBondContact O-CB 3.16Å; A628-Q631 PolarHBondContact O-N 2.93Å; A628-Q631 VanDerWaalsContact O-N 3.08Å; A629-Q631 VanDerWaalsContact C-N 3.31Å; A629-Q631 PolarHBondContact O-N 3.24Å; Q631-C633 VanDerWaalsContact C-N 3.33Å; Q631-C633 PolarHBondContact O-N 3.46Å; Q631-E634 WeakPolarHBondContact O-CB 3.39Å; Q631-E634 PolarHBondContact O-N 2.96Å; Q631-E635 WeakPolarHBondContact O-CG 3.31Å; Q631-E635 PolarHBondContact O-N 3.3Å; Q631-A691 HydrophobicContact CG-CB 3.92Å |
| 632 | T | 92.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 174.2 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | L613 K616 V617 E620 A628 A629 L630 E634 E635 M636 | L613-T632 HydrophobicContact CD2-CG2 4.29Å; K616-T632 HydrophobicContact CB-CG2 4.4Å; K616-T632 HydrophobicContact CD-CG2 3.8Å; K616-T632 WeakPolarHBondContact CE-OG1 3.37Å; K616-T632 HydrophobicContact CG-CG2 4.16Å; K616-T632 PolarHBondContact NZ-OG1 3.38Å; K616-T632 VanDerWaalsContact NZ-OG1 3.16Å; V617-T632 HydrophobicContact CG2-CG2 3.61Å; E620-T632 PolarHBondContact OE1-OG1 2.62Å; E620-T632 WeakPolarHBondContact OE2-CB 3.39Å; E620-T632 PolarHBondContact OE2-OG1 2.8Å; A628-T632 PolarHBondContact O-N 2.89Å; A629-T632 PolarHBondContact O-N 3.09Å; L630-T632 VanDerWaalsContact C-N 3.32Å; T632-E634 VanDerWaalsContact C-N 3.33Å; T632-E634 PolarHBondContact O-N 3.41Å; T632-E635 WeakPolarHBondContact O-CB 3.44Å; T632-E635 PolarHBondContact O-N 2.92Å; T632-M636 VanDerWaalsContact O-CG 3.23Å; T632-M636 WeakPolarHBondContact O-CG 3.36Å; T632-M636 PolarHBondContact O-N 3.1Å |
| 633 | C | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -38.3 | 171.3 | -71.9 | 0 | 0 | 0 | 0 | 112.6 | A629 L630 Q631 M636 L637 A727 | A629-C633 PolarHBondContact O-N 3.08Å; A629-C633 VanDerWaalsContact O-N 3.1Å; L630-C633 WeakPolarHBondContact O-CB 3.49Å; L630-C633 PolarHBondContact O-N 3.28Å; Q631-C633 VanDerWaalsContact C-N 3.33Å; Q631-C633 PolarHBondContact O-N 3.46Å; C633-M636 WeakPolarHBondContact O-CB 3.23Å; C633-M636 PolarHBondContact O-N 3.39Å; C633-L637 PolarHBondContact O-N 2.98Å; C633-A727 HydrophobicContact CB-CB 4.37Å |
| 634 | E | 87.6 | Confident | 88.1 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 12% | 0.117 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 173.1 | -168.9 | -173.1 | 159.9 | 0 | 0 | 111.1 | L630 Q631 T632 M636 L637 Q638 R694 L695 | L630-E634 PolarHBondContact O-N 2.9Å; Q631-E634 WeakPolarHBondContact O-CB 3.39Å; Q631-E634 PolarHBondContact O-N 2.96Å; T632-E634 VanDerWaalsContact C-N 3.33Å; T632-E634 PolarHBondContact O-N 3.41Å; E634-M636 PolarHBondContact O-N 2.85Å; E634-L637 PolarHBondContact O-N 2.73Å; E634-L637 VanDerWaalsContact O-N 3.15Å; E634-Q638 WeakPolarHBondContact O-CG 3.21Å; E634-Q638 PolarHBondContact O-N 3.01Å; E634-Q638 PolarHBondContact OE1-NE2 3.23Å; E634-R694 WeakPolarHBondContact OE1-CB 3.08Å; E634-L695 HydrophobicContact CB-CD1 3.66Å; E634-L695 HydrophobicContact CG-CD1 4.02Å |
| 635 | E | 90.1 | Very high | 86.7 | Confident | 69 Ų | 69 | 39.6 Ų | 39.6 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.5 | -40.5 | 174.9 | -69.5 | 175.8 | -179.6 | 0 | 0 | 111.5 | K616 Q631 T632 R639 | K616-E635 IonicContact NZ-OE2 2.99Å; K616-E635 PolarHBondContact NZ-OE2 3.08Å; Q631-E635 WeakPolarHBondContact O-CG 3.31Å; Q631-E635 PolarHBondContact O-N 3.3Å; T632-E635 WeakPolarHBondContact O-CB 3.44Å; T632-E635 PolarHBondContact O-N 2.92Å; E635-R639 WeakPolarHBondContact O-CB 3.31Å; E635-R639 WeakPolarHBondContact O-CD 3.29Å; E635-R639 WeakPolarHBondContact O-CG 3.46Å; E635-R639 PolarHBondContact O-N 3.24Å |
| 636 | M | 91.3 | Very high | 84.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 177.4 | -71.7 | 173.4 | 78.8 | 0 | 0 | 112.3 | F610 L613 L614 V617 T632 C633 E634 R639 W640 I723 | F610-M636 HydrophobicContact CB-CE 4.36Å; F610-M636 HydrophobicContact CD1-CE 3.99Å; L613-M636 HydrophobicContact CB-CE 3.9Å; L613-M636 HydrophobicContact CB-CG 3.63Å; L613-M636 HydrophobicContact CB-SD 3.68Å; L613-M636 HydrophobicContact CD1-CG 3.7Å; L613-M636 HydrophobicContact CG-CG 4.18Å; L614-M636 HydrophobicContact CD2-CE 3.65Å; L614-M636 HydrophobicContact CD2-SD 4.46Å; L614-M636 HydrophobicContact CG-CE 3.57Å; V617-M636 HydrophobicContact CG2-SD 4.03Å; T632-M636 VanDerWaalsContact O-CG 3.23Å; T632-M636 WeakPolarHBondContact O-CG 3.36Å; T632-M636 PolarHBondContact O-N 3.1Å; C633-M636 WeakPolarHBondContact O-CB 3.23Å; C633-M636 PolarHBondContact O-N 3.39Å; E634-M636 PolarHBondContact O-N 2.85Å; M636-R639 PolarHBondContact O-N 3.31Å; M636-W640 WeakPolarHBondContact O-CB 3.48Å; M636-W640 PolarHBondContact O-N 3.44Å; M636-I723 HydrophobicContact CB-CD1 4.01Å; M636-I723 HydrophobicContact CB-CG1 4.22Å; M636-I723 HydrophobicContact CB-CG2 4.2Å; M636-I723 HydrophobicContact CE-CD1 4.17Å; M636-I723 HydrophobicContact CE-CG1 3.58Å |
| 637 | L | 88.5 | Confident | 81.7 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.1 | -72.3 | 173.7 | 0 | 0 | 0 | 111.3 | C633 E634 R639 W640 Q641 L695 L699 L720 I723 W724 | C633-L637 PolarHBondContact O-N 2.98Å; E634-L637 PolarHBondContact O-N 2.73Å; E634-L637 VanDerWaalsContact O-N 3.15Å; L637-R639 VanDerWaalsContact C-N 3.33Å; L637-R639 PolarHBondContact O-N 3.36Å; L637-W640 PolarHBondContact O-N 2.9Å; L637-Q641 WeakPolarHBondContact O-CG 3.47Å; L637-Q641 PolarHBondContact O-N 2.87Å; L637-L695 HydrophobicContact CD1-CD1 4.4Å; L637-L699 HydrophobicContact CD1-CD2 4.29Å; L637-L720 HydrophobicContact CD2-CD1 3.6Å; L637-I723 HydrophobicContact CD2-CB 4.38Å; L637-I723 HydrophobicContact CD2-CG2 3.62Å; L637-I723 HydrophobicContact CG-CG2 3.75Å; L637-W724 HydrophobicContact CD2-CZ2 4.45Å |
| 638 | Q | 87.8 | Confident | 79.8 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.8 | -70.1 | 174.4 | 4.2 | 0 | 0 | 112.1 | E634 Q641 S642 | E634-Q638 WeakPolarHBondContact O-CG 3.21Å; E634-Q638 PolarHBondContact O-N 3.01Å; E634-Q638 PolarHBondContact OE1-NE2 3.23Å; Q638-Q641 PolarHBondContact O-N 2.91Å; Q638-S642 WeakPolarHBondContact O-CB 3.35Å; Q638-S642 PolarHBondContact O-N 2.74Å; Q638-S642 PolarHBondContact O-OG 3.42Å |
| 639 | R | 88.1 | Confident | 77.4 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 28% | 0.275 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 175.7 | -73.9 | 168.4 | -171.6 | -88.6 | 4.6 | 111.5 | P607 D608 F610 E635 M636 L637 Q641 S642 Q643 | P607-R639 VanDerWaalsContact C-NH1 3.27Å; P607-R639 PolarHBondContact O-NH1 3.44Å; D608-R639 IonicContact OD1-NH1 3.82Å; F610-R639 HydrophobicContact CE1-CB 4.48Å; E635-R639 WeakPolarHBondContact O-CB 3.31Å; E635-R639 WeakPolarHBondContact O-CD 3.29Å; E635-R639 WeakPolarHBondContact O-CG 3.46Å; E635-R639 PolarHBondContact O-N 3.24Å; M636-R639 PolarHBondContact O-N 3.31Å; L637-R639 VanDerWaalsContact C-N 3.33Å; L637-R639 PolarHBondContact O-N 3.36Å; R639-Q641 VanDerWaalsContact C-N 3.34Å; R639-Q641 PolarHBondContact O-N 3.36Å; R639-S642 WeakPolarHBondContact CA-OG 3.35Å; R639-S642 PolarHBondContact O-N 3.07Å; R639-S642 PolarHBondContact O-OG 3.06Å; R639-Q643 WeakPolarHBondContact O-CB 3.4Å; R639-Q643 WeakPolarHBondContact O-CG 3.33Å; R639-Q643 PolarHBondContact O-N 3.43Å |
| 640 | W | 87.1 | Confident | 74.5 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 5% | 0.045 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 175.9 | -175.4 | 95 | 0 | 0 | 0 | 110.6 | F610 M636 L637 S642 Q643 Y644 I716 W717 L720 I723 | F610-W640 HydrophobicContact CE1-CB 4.03Å; F610-W640 HydrophobicContact CZ-CB 3.95Å; M636-W640 WeakPolarHBondContact O-CB 3.48Å; M636-W640 PolarHBondContact O-N 3.44Å; L637-W640 PolarHBondContact O-N 2.9Å; W640-S642 PolarHBondContact O-N 3.03Å; W640-Q643 PolarHBondContact O-N 3.33Å; W640-Y644 HydrophobicContact CB-CD2 4.49Å; W640-Y644 AromaticContact CD1-CD2 3.55Å; W640-Y644 AromaticContact CD1-CE2 3.51Å; W640-Y644 AromaticContact CD2-CD2 3.87Å; W640-Y644 HydrophobicContact CD2-CD2 3.87Å; W640-Y644 AromaticContact CE2-CD2 3.7Å; W640-Y644 AromaticContact CG-CD2 3.75Å; W640-Y644 HydrophobicContact CG-CD2 3.75Å; W640-Y644 HydrophobicContact CG-CE2 4.07Å; W640-Y644 HydrophobicContact CZ2-CD2 4.38Å; W640-Y644 AromaticContact NE1-CD2 3.51Å; W640-Y644 AromaticContact NE1-CE2 3.68Å; W640-Y644 WeakPolarHBondContact O-CB 3.44Å; W640-Y644 WeakPolarHBondContact O-CD2 3.29Å; W640-Y644 PolarHBondContact O-N 2.85Å; W640-I716 HydrophobicContact CZ2-CG2 3.84Å; W640-I716 PolarHBondContact NE1-O 3.42Å; W640-I716 VanDerWaalsContact NE1-O 3.13Å; W640-W717 HydrophobicContact CH2-CE3 4.37Å; W640-W717 HydrophobicContact CH2-CH2 4.38Å; W640-W717 AromaticContact CH2-CZ3 3.79Å; W640-W717 HydrophobicContact CH2-CZ3 3.79Å; W640-W717 HydrophobicContact CZ2-CE3 4.08Å; W640-W717 AromaticContact CZ2-CZ3 3.95Å; W640-W717 HydrophobicContact CZ2-CZ3 3.95Å; W640-L720 HydrophobicContact CD2-CB 4.35Å; W640-L720 HydrophobicContact CD2-CD1 3.94Å; W640-L720 HydrophobicContact CD2-CD2 4.44Å; W640-L720 HydrophobicContact CD2-CG 4.46Å; W640-L720 HydrophobicContact CE3-CD1 4.06Å; W640-L720 HydrophobicContact CE3-CD2 4.36Å; W640-L720 HydrophobicContact CG-CD1 4.34Å; W640-L720 HydrophobicContact CH2-CD2 3.63Å; W640-L720 HydrophobicContact CZ2-CB 4.01Å; W640-L720 HydrophobicContact CZ2-CD2 3.67Å; W640-L720 HydrophobicContact CZ2-CG 4.28Å; W640-L720 HydrophobicContact CZ3-CD1 4.47Å; W640-L720 HydrophobicContact CZ3-CD2 3.98Å; W640-I723 HydrophobicContact CB-CD1 4.4Å |
| 641 | Q | 83 | Confident | 71.8 | Confident | 27 Ų | 27 | 76 Ų | 76 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.6 | -51.2 | 173.1 | -71.9 | 172.7 | -42 | 0 | 0 | 111 | L637 Q638 R639 Q643 Y644 D645 V702 | L637-Q641 WeakPolarHBondContact O-CG 3.47Å; L637-Q641 PolarHBondContact O-N 2.87Å; Q638-Q641 PolarHBondContact O-N 2.91Å; R639-Q641 VanDerWaalsContact C-N 3.34Å; R639-Q641 PolarHBondContact O-N 3.36Å; Q641-Q643 VanDerWaalsContact C-N 3.27Å; Q641-Q643 PolarHBondContact O-N 3.03Å; Q641-Y644 PolarHBondContact O-N 3.34Å; Q641-D645 HydrophobicContact CB-CB 4.44Å; Q641-D645 WeakPolarHBondContact O-CA 3.44Å; Q641-D645 WeakPolarHBondContact O-CB 3.33Å; Q641-D645 PolarHBondContact O-N 3.01Å; Q641-V702 HydrophobicContact CG-CG2 3.98Å |
| 642 | S | 82.6 | Confident | 69 | Low | 73 Ų | 73 | 75 Ų | 75 | 51% | 0.51 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.8 | -35.1 | -178.6 | 72.6 | 0 | 0 | 0 | 0 | 114.1 | Q638 R639 W640 | Q638-S642 WeakPolarHBondContact O-CB 3.35Å; Q638-S642 PolarHBondContact O-N 2.74Å; Q638-S642 PolarHBondContact O-OG 3.42Å; R639-S642 WeakPolarHBondContact CA-OG 3.35Å; R639-S642 PolarHBondContact O-N 3.07Å; R639-S642 PolarHBondContact O-OG 3.06Å; W640-S642 PolarHBondContact O-N 3.03Å |
| 643 | Q | 78.3 | Confident | 66.1 | Low | 67 Ų | 67 | 79.4 Ų | 79.4 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -76.9 | -33.7 | -179.2 | -74.4 | 176.2 | 18.1 | 0 | 0 | 112.6 | D608 R639 W640 Q641 | D608-Q643 PolarHBondContact OD1-NE2 3.32Å; R639-Q643 WeakPolarHBondContact O-CB 3.4Å; R639-Q643 WeakPolarHBondContact O-CG 3.33Å; R639-Q643 PolarHBondContact O-N 3.43Å; W640-Q643 PolarHBondContact O-N 3.33Å; Q641-Q643 VanDerWaalsContact C-N 3.27Å; Q641-Q643 PolarHBondContact O-N 3.03Å |
| 644 | Y | 75.9 | Confident | 63.4 | Low | 84 Ų | 84 | 89.2 Ų | 89.2 | 33% | 0.329 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -111.5 | -5.2 | -171.7 | -56.3 | -63.5 | 0 | 0 | 0 | 113.4 | F610 W640 Q641 I716 | F610-Y644 HydrophobicContact CE2-CE2 4.48Å; W640-Y644 HydrophobicContact CB-CD2 4.49Å; W640-Y644 AromaticContact CD1-CD2 3.55Å; W640-Y644 AromaticContact CD1-CE2 3.51Å; W640-Y644 AromaticContact CD2-CD2 3.87Å; W640-Y644 HydrophobicContact CD2-CD2 3.87Å; W640-Y644 AromaticContact CE2-CD2 3.7Å; W640-Y644 AromaticContact CG-CD2 3.75Å; W640-Y644 HydrophobicContact CG-CD2 3.75Å; W640-Y644 HydrophobicContact CG-CE2 4.07Å; W640-Y644 HydrophobicContact CZ2-CD2 4.38Å; W640-Y644 AromaticContact NE1-CD2 3.51Å; W640-Y644 AromaticContact NE1-CE2 3.68Å; W640-Y644 WeakPolarHBondContact O-CB 3.44Å; W640-Y644 WeakPolarHBondContact O-CD2 3.29Å; W640-Y644 PolarHBondContact O-N 2.85Å; Q641-Y644 PolarHBondContact O-N 3.34Å; Y644-I716 HydrophobicContact CD1-CD1 3.87Å; Y644-I716 HydrophobicContact CD1-CG1 4.32Å; Y644-I716 HydrophobicContact CD1-CG2 3.86Å; Y644-I716 HydrophobicContact CD2-CG2 3.78Å; Y644-I716 HydrophobicContact CE1-CB 4.47Å; Y644-I716 HydrophobicContact CE1-CD1 3.64Å; Y644-I716 HydrophobicContact CE1-CG1 3.77Å; Y644-I716 HydrophobicContact CE1-CG2 3.91Å; Y644-I716 HydrophobicContact CE2-CG2 3.9Å; Y644-I716 HydrophobicContact CG-CG2 3.81Å |
| 645 | D | 61.7 | Low | 60.8 | Low | 71 Ų | 71 | 92.9 Ų | 92.9 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | trans | -128.4 | 23.3 | -168 | -140.5 | 4.9 | 0 | 0 | 0 | 115.2 | Q641 S647 L705 | Q641-D645 HydrophobicContact CB-CB 4.44Å; Q641-D645 WeakPolarHBondContact O-CA 3.44Å; Q641-D645 WeakPolarHBondContact O-CB 3.33Å; Q641-D645 PolarHBondContact O-N 3.01Å; D645-S647 PolarHBondContact O-N 3.36Å; D645-S647 VanDerWaalsContact O-N 3.08Å; D645-L705 VanDerWaalsContact OD1-CD2 3.3Å; D645-L705 WeakPolarHBondContact OD1-CD2 3.34Å; D645-L705 WeakPolarHBondContact OD2-CD2 3.45Å | ||
| 646 | V | 40 | Very low | 58 | Low | 120 Ų | 120 | 96.6 Ų | 96.6 | 73% | 0.727 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -82.1 | 67.4 | 158 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 647 | S | 40 | Very low | 55 | Low | 75 Ų | 75 | 104 Ų | 104 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | trans | 52.8 | 131.9 | 166.9 | 54.6 | 0 | 0 | 0 | 0 | 116.3 | D645 S649 | D645-S647 PolarHBondContact O-N 3.36Å; D645-S647 VanDerWaalsContact O-N 3.08Å; S647-S649 PolarHBondContact O-N 3.48Å; S647-S649 WeakPolarHBondContact OG-CB 3.24Å | ||
| 648 | R | 46.2 | Very low | 52.2 | Low | 196 Ų | 196 | 109.5 Ų | 109.5 | 74% | 0.74 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -31.7 | 2.9 | 137.4 | -125.3 | 163.1 | 165.4 | -175.3 | -8 | 118.3 | R650 | R648-R650 VanDerWaalsContact C-N 3.3Å; R648-R650 PolarHBondContact O-N 2.93Å |
| 649 | S | 39.5 | Very low | 49.4 | Very low | 82 Ų | 82 | 110 Ų | 110 | 57% | 0.573 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 81.3 | 170.7 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | S647 | S647-S649 PolarHBondContact O-N 3.48Å; S647-S649 WeakPolarHBondContact OG-CB 3.24Å |
| 650 | R | 31.8 | Very low | 46.5 | Very low | 218 Ų | 218 | 111.5 Ų | 111.5 | 82% | 0.823 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | 169.6 | -7.4 | 121.4 | -92.7 | 174.6 | 177 | 179.3 | -0.8 | 114.9 | R648 | R648-R650 VanDerWaalsContact C-N 3.3Å; R648-R650 PolarHBondContact O-N 2.93Å | |
| 651 | F | 33.3 | Very low | 43.7 | Very low | 207 Ų | 207 | 117.7 Ų | 117.7 | 91% | 0.908 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -134.8 | 98.3 | -179.3 | -80.8 | -82 | 0 | 0 | 0 | 113.6 | ||
| 652 | G | 33 | Very low | 41.1 | Very low | 77 Ų | 77 | 122.5 Ų | 122.5 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 168.7 | 71 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 653 | S | 30.8 | Very low | 38.2 | Very low | 95 Ų | 95 | 127 Ų | 127 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | trans | 99.4 | 83 | 174.5 | -148.3 | 0 | 0 | 0 | 0 | 116 | T655 | S653-T655 VanDerWaalsContact C-N 3.32Å; S653-T655 PolarHBondContact O-N 3.48Å; S653-T655 PolarHBondContact OG-OG1 3.01Å | ||
| 654 | E | 34.8 | Very low | 35.6 | Very low | 206 Ų | 206 | 127.8 Ų | 127.8 | 96% | 0.963 | 72% | 0.715 | S | S | * | * | trans | -76.5 | 94.5 | 141.4 | -75.8 | -167.1 | 166.1 | 0 | 0 | 107.3 | ||||
| 655 | T | 33 | Very low | 33.5 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | trans | -138.9 | 115.4 | 155.7 | 51.6 | 0 | 0 | 0 | 0 | 106.7 | S653 | S653-T655 VanDerWaalsContact C-N 3.32Å; S653-T655 PolarHBondContact O-N 3.48Å; S653-T655 PolarHBondContact OG-OG1 3.01Å | ||
| 656 | D | 30.7 | Very low | 31.6 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 41.7 | 111.1 | 151.9 | -64.9 | -21 | 0 | 0 | 0 | 118.5 | ||||
| 657 | D | 28.4 | Very low | 30.8 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | -177.1 | 131.7 | 92.5 | -105.9 | -27 | 0 | 0 | 0 | 112.3 | |||||
| 658 | S | 31.1 | Very low | 30 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -84.3 | 107.8 | 168.6 | 54.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 659 | S | 28.3 | Very low | 29.2 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -168 | 109.8 | 146.7 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 660 | S | 26.5 | Very low | 28.5 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 28.4 | 116.7 | 142 | 59.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 661 | I | 28.3 | Very low | 28.2 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | 170.5 | 136 | 108.7 | -81 | 156.8 | 0 | 0 | 0 | 108 | M663 | I661-M663 HydrophobicContact CG2-CG 4.2Š| |||
| 662 | P | 30 | Very low | 27.7 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -82.8 | 119.4 | 175.9 | 32.2 | -30 | 0 | 0 | 0 | 110.4 | ||||
| 663 | M | 21.6 | Very low | 27.3 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | trans | -138.7 | 119.9 | 166.9 | -79.2 | -151.1 | 77.5 | 0 | 0 | 112.3 | I661 | I661-M663 HydrophobicContact CG2-CG 4.2Š| ||
| 664 | A | 23.2 | Very low | 27.2 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | trans | 54.4 | 105.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | S666 | A664-S666 PolarHBondContact O-N 3.21Š| ||
| 665 | E | 30.6 | Very low | 27.1 | Very low | 207 Ų | 207 | 130.5 Ų | 130.5 | 97% | 0.967 | 74% | 0.737 | S | S | * | * | trans | -54.4 | 90.3 | 146.5 | -70.1 | -179.9 | 161.3 | 0 | 0 | 109.4 | ||||
| 666 | S | 22.1 | Very low | 27 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | -99.8 | 101.8 | 163.3 | 171.7 | 0 | 0 | 0 | 0 | 106.7 | A664 | A664-S666 PolarHBondContact O-N 3.21Š| ||
| 667 | K | 24.1 | Very low | 27.4 | Very low | 189 Ų | 189 | 133 Ų | 133 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -45.5 | 127.4 | 160.7 | -73.1 | 178.7 | 176.8 | -179 | 0 | 107.8 | S669 | K667-S669 VanDerWaalsContact C-N 3.26Å; K667-S669 PolarHBondContact O-N 3.45Å | ||
| 668 | P | 23.3 | Very low | 27.9 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | trans | -70.2 | 91.8 | 170.5 | 26.1 | -28.7 | 0 | 0 | 0 | 108.2 | F670 | P668-F670 HydrophobicContact CB-CD2 3.6Å; P668-F670 HydrophobicContact CB-CE2 3.39Å; P668-F670 HydrophobicContact CB-CZ 4.5Å; P668-F670 PolarHBondContact O-N 3.5Å | ||
| 669 | S | 28.7 | Very low | 27.9 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -75.1 | 101.2 | 158.4 | 49.6 | 0 | 0 | 0 | 0 | 107.4 | K667 | K667-S669 VanDerWaalsContact C-N 3.26Å; K667-S669 PolarHBondContact O-N 3.45Å | ||
| 670 | F | 25.9 | Very low | 28.5 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | -107.1 | 100.6 | 170.6 | -76.1 | -71.2 | 0 | 0 | 0 | 109.7 | P668 | P668-F670 HydrophobicContact CB-CD2 3.6Å; P668-F670 HydrophobicContact CB-CE2 3.39Å; P668-F670 HydrophobicContact CB-CZ 4.5Å; P668-F670 PolarHBondContact O-N 3.5Å | ||
| 671 | H | 25.6 | Very low | 28.8 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -70.2 | 122 | 156.6 | -90.6 | -85.7 | 0 | 0 | 0 | 108.6 | ||||
| 672 | L | 22.2 | Very low | 29.1 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | trans | -139.7 | 124.4 | 152 | -116.1 | 108.5 | 0 | 0 | 0 | 109.9 | ||||
| 673 | N | 24.1 | Very low | 29.4 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 130.1 | -170.2 | -61.1 | -43.1 | 0 | 0 | 0 | 111.8 | ||
| 674 | L | 29.6 | Very low | 29.9 | Very low | 78 Ų | 78 | 131 Ų | 131 | 41% | 0.408 | 75% | 0.751 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 151 | 151.3 | -85.6 | 150.1 | 0 | 0 | 0 | 108.8 | D676 E696 | L674-D676 PolarHBondContact O-N 3.41Å; L674-D676 VanDerWaalsContact O-N 3.15Å; L674-E696 HydrophobicContact CD1-CB 4Å; L674-E696 HydrophobicContact CD1-CG 4.26Å |
| 675 | P | 31.2 | Very low | 30.5 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 58% | 0.584 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 120.4 | 168.7 | -13.9 | 27.1 | 0 | 0 | 0 | 108.7 | F677 | P675-F677 HydrophobicContact CB-CE2 4.36Å; P675-F677 WeakPolarHBondContact O-CD2 3.38Å; P675-F677 PolarHBondContact O-N 3.37Å |
| 676 | D | 30.7 | Very low | 30.7 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | -52.9 | 105.3 | 171.4 | -83 | -38.7 | 0 | 0 | 0 | 109.3 | L674 Q678 | L674-D676 PolarHBondContact O-N 3.41Å; L674-D676 VanDerWaalsContact O-N 3.15Å; D676-Q678 PolarHBondContact O-N 2.87Å | ||
| 677 | F | 40.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | trans | -90.3 | 57.3 | 166 | -71.4 | -71.7 | 0 | 0 | 0 | 109.6 | P675 | P675-F677 HydrophobicContact CB-CE2 4.36Å; P675-F677 WeakPolarHBondContact O-CD2 3.38Å; P675-F677 PolarHBondContact O-N 3.37Å | ||
| 678 | Q | 38.6 | Very low | 31.8 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -93.2 | 105.2 | 153.1 | -70 | -171.3 | 8.9 | 0 | 0 | 107 | D676 | D676-Q678 PolarHBondContact O-N 2.87Š| ||
| 679 | D | 30.5 | Very low | 32.9 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 90% | 0.898 | 73% | 0.734 | S | S | * | * | trans | -152 | 137.3 | 143.1 | -106.2 | -25.2 | 0 | 0 | 0 | 113.2 | S681 | D679-S681 PolarHBondContact O-N 3.43Š| ||
| 680 | A | 40.3 | Very low | 33.6 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -71.2 | 117.9 | -170 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 681 | S | 33.6 | Very low | 34.1 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | 171.8 | 60.9 | 145.3 | 44.8 | 0 | 0 | 0 | 0 | 112.5 | D679 | D679-S681 PolarHBondContact O-N 3.43Š| ||
| 682 | T | 34.3 | Very low | 35.1 | Very low | 142 Ų | 142 | 109.4 Ų | 109.4 | 87% | 0.871 | 66% | 0.662 | S | S | * | * | trans | -166.5 | 108.9 | 146.3 | 18.1 | 0 | 0 | 0 | 0 | 107.7 | S684 | T682-S684 PolarHBondContact O-N 3.19Å; T682-S684 VanDerWaalsContact O-N 3.14Å | ||
| 683 | G | 36.6 | Very low | 36.6 | Very low | 90 Ų | 90 | 106.4 Ų | 106.4 | 93% | 0.928 | 65% | 0.651 | S | S | * | * | trans | -68.1 | 107.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 684 | S | 31.3 | Very low | 37.5 | Very low | 103 Ų | 103 | 106.9 Ų | 106.9 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | trans | -138.2 | 114.3 | 147.3 | 74.6 | 0 | 0 | 0 | 0 | 107.5 | T682 S686 | T682-S684 PolarHBondContact O-N 3.19Å; T682-S684 VanDerWaalsContact O-N 3.14Å; S684-S686 PolarHBondContact O-N 2.88Å | ||
| 685 | L | 36.6 | Very low | 38.4 | Very low | 187 Ų | 187 | 103.4 Ų | 103.4 | 98% | 0.979 | 62% | 0.624 | S | S | * | * | trans | -78.7 | 93.9 | -176.3 | -72.9 | 157.8 | 0 | 0 | 0 | 108.9 | ||||
| 686 | S | 35.1 | Very low | 39.6 | Very low | 95 Ų | 95 | 102.5 Ų | 102.5 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | trans | -134.5 | 125.6 | 147.9 | 60.3 | 0 | 0 | 0 | 0 | 107.6 | S684 | S684-S686 PolarHBondContact O-N 2.88Š| ||
| 687 | P | 33.1 | Very low | 40.7 | Very low | 116 Ų | 116 | 98 Ų | 98 | 75% | 0.753 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 143.5 | 175.2 | 27.4 | -31.9 | 0 | 0 | 0 | 108.3 | S689 | P687-S689 PolarHBondContact O-N 3.26Š|
| 688 | P | 36.4 | Very low | 41.1 | Very low | 104 Ų | 104 | 91.1 Ų | 91.1 | 68% | 0.675 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 119.3 | 173.5 | 25 | -31.3 | 0 | 0 | 0 | 107.8 | ||
| 689 | S | 45.8 | Very low | 41.8 | Very low | 56 Ų | 56 | 83.6 Ų | 83.6 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 141.7 | 176.5 | 163.8 | 0 | 0 | 0 | 0 | 109.5 | P687 A691 V692 | P687-S689 PolarHBondContact O-N 3.26Å; S689-A691 PolarHBondContact O-N 2.95Å; S689-A691 PolarHBondContact OG-N 3.33Å; S689-V692 WeakPolarHBondContact O-CA 3.39Å; S689-V692 WeakPolarHBondContact O-CB 3.49Å; S689-V692 PolarHBondContact O-N 2.92Å |
| 690 | V | 44 | Very low | 43 | Very low | 91 Ų | 91 | 77.1 Ų | 77.1 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -52 | -26.5 | 177 | 173.7 | 0 | 0 | 0 | 0 | 112.6 | V692 S693 R694 | V690-V692 VanDerWaalsContact C-N 3.33Å; V690-S693 PolarHBondContact O-OG 2.92Å; V690-R694 WeakPolarHBondContact O-CG 3.22Å; V690-R694 PolarHBondContact O-N 3.24Å |
| 691 | A | 34.6 | Very low | 43.7 | Very low | 16 Ų | 16 | 78.4 Ų | 78.4 | 13% | 0.132 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.3 | -33.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q631 S689 R694 L695 | Q631-A691 HydrophobicContact CG-CB 3.92Å; S689-A691 PolarHBondContact O-N 2.95Å; S689-A691 PolarHBondContact OG-N 3.33Å; A691-R694 PolarHBondContact O-N 3.38Å; A691-L695 WeakPolarHBondContact O-CB 3.36Å; A691-L695 PolarHBondContact O-N 3.07Å |
| 692 | V | 47.4 | Very low | 44.6 | Very low | 15 Ų | 15 | 73.4 Ų | 73.4 | 9% | 0.091 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.6 | -46.1 | 179.4 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | S689 V690 R694 L695 E696 R736 | S689-V692 WeakPolarHBondContact O-CA 3.39Å; S689-V692 WeakPolarHBondContact O-CB 3.49Å; S689-V692 PolarHBondContact O-N 2.92Å; V690-V692 VanDerWaalsContact C-N 3.33Å; V692-R694 VanDerWaalsContact C-N 3.26Å; V692-R694 PolarHBondContact O-N 2.95Å; V692-L695 PolarHBondContact O-N 3.02Å; V692-E696 WeakPolarHBondContact CG1-OE1 3.43Å; V692-E696 WeakPolarHBondContact O-CB 3.47Å; V692-E696 VanDerWaalsContact O-CG 3.32Å; V692-E696 WeakPolarHBondContact O-CG 3.41Å; V692-E696 PolarHBondContact O-N 3.37Å; V692-R736 VanDerWaalsContact CG1-CZ 3.42Å |
| 693 | S | 53.6 | Low | 45.4 | Very low | 62 Ų | 62 | 67.9 Ų | 67.9 | 43% | 0.434 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.7 | -27.9 | 177.8 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | V690 A697 | V690-S693 PolarHBondContact O-OG 2.92Å; S693-A697 PolarHBondContact O-N 3.41Å |
| 694 | R | 43.5 | Very low | 46.1 | Very low | 158 Ų | 158 | 68.2 Ų | 68.2 | 60% | 0.596 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -81.8 | -38.3 | 177.8 | -73.6 | 179.6 | -179.4 | -174.9 | 0.6 | 112 | E634 V690 A691 V692 A697 A698 | E634-R694 WeakPolarHBondContact OE1-CB 3.08Å; V690-R694 WeakPolarHBondContact O-CG 3.22Å; V690-R694 PolarHBondContact O-N 3.24Å; A691-R694 PolarHBondContact O-N 3.38Å; V692-R694 VanDerWaalsContact C-N 3.26Å; V692-R694 PolarHBondContact O-N 2.95Å; R694-A697 PolarHBondContact O-N 3.07Å; R694-A698 PolarHBondContact O-N 3.19Å; R694-A698 VanDerWaalsContact O-N 3.09Å |
| 695 | L | 49.4 | Very low | 46.9 | Very low | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.9 | -52.9 | 166.7 | -164.3 | 83.6 | 0 | 0 | 0 | 109.1 | E634 L637 A691 V692 A697 A698 L699 F731 | E634-L695 HydrophobicContact CB-CD1 3.66Å; E634-L695 HydrophobicContact CG-CD1 4.02Å; L637-L695 HydrophobicContact CD1-CD1 4.4Å; A691-L695 WeakPolarHBondContact O-CB 3.36Å; A691-L695 PolarHBondContact O-N 3.07Å; V692-L695 PolarHBondContact O-N 3.02Å; L695-A697 PolarHBondContact O-N 3.18Å; L695-A698 CarbonylContact O-C 3.56Å; L695-A698 WeakPolarHBondContact O-CA 3.46Å; L695-A698 PolarHBondContact O-N 2.86Å; L695-L699 HydrophobicContact CB-CD1 4.46Å; L695-L699 HydrophobicContact CD2-CD1 3.88Å; L695-L699 HydrophobicContact CD2-CG 4.4Å; L695-L699 HydrophobicContact CG-CD1 3.84Å; L695-L699 HydrophobicContact CG-CD2 4.21Å; L695-L699 HydrophobicContact CG-CG 3.9Å; L695-L699 WeakPolarHBondContact O-CB 3.4Å; L695-L699 WeakPolarHBondContact O-CG 3.33Å; L695-L699 PolarHBondContact O-N 2.94Å; L695-F731 HydrophobicContact CD2-CE2 3.58Å; L695-F731 HydrophobicContact CD2-CZ 3.36Å |
| 696 | E | 55.1 | Low | 47.5 | Very low | 71 Ų | 71 | 59.1 Ų | 59.1 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -49 | -36.1 | 176.3 | -76.8 | 168.1 | -166.5 | 0 | 0 | 114.6 | L674 V692 S700 R736 | L674-E696 HydrophobicContact CD1-CB 4Å; L674-E696 HydrophobicContact CD1-CG 4.26Å; V692-E696 WeakPolarHBondContact CG1-OE1 3.43Å; V692-E696 WeakPolarHBondContact O-CB 3.47Å; V692-E696 VanDerWaalsContact O-CG 3.32Å; V692-E696 WeakPolarHBondContact O-CG 3.41Å; V692-E696 PolarHBondContact O-N 3.37Å; E696-S700 PolarHBondContact O-N 3.41Å; E696-R736 IonicContact OE1-NH2 3.52Å |
| 697 | A | 54.4 | Low | 48.1 | Very low | 54 Ų | 54 | 58.9 Ų | 58.9 | 45% | 0.446 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71 | -47.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S693 R694 L695 L699 S700 E701 | S693-A697 PolarHBondContact O-N 3.41Å; R694-A697 PolarHBondContact O-N 3.07Å; L695-A697 PolarHBondContact O-N 3.18Å; A697-L699 VanDerWaalsContact C-N 3.25Å; A697-L699 PolarHBondContact O-N 3.06Å; A697-S700 PolarHBondContact O-N 2.93Å; A697-E701 PolarHBondContact O-N 3.05Å |
| 698 | A | 48.6 | Very low | 48.7 | Very low | 8 Ų | 8 | 57.9 Ų | 57.9 | 7% | 0.066 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -31.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R694 L695 V702 | R694-A698 PolarHBondContact O-N 3.19Å; R694-A698 VanDerWaalsContact O-N 3.09Å; L695-A698 CarbonylContact O-C 3.56Å; L695-A698 WeakPolarHBondContact O-CA 3.46Å; L695-A698 PolarHBondContact O-N 2.86Å; A698-V702 WeakPolarHBondContact O-CG2 3.44Å; A698-V702 PolarHBondContact O-N 2.98Å |
| 699 | L | 53.7 | Low | 49.3 | Very low | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.5 | -69.5 | 177.6 | 0 | 0 | 0 | 112 | L637 L695 A697 S703 W724 F742 | L637-L699 HydrophobicContact CD1-CD2 4.29Å; L695-L699 HydrophobicContact CB-CD1 4.46Å; L695-L699 HydrophobicContact CD2-CD1 3.88Å; L695-L699 HydrophobicContact CD2-CG 4.4Å; L695-L699 HydrophobicContact CG-CD1 3.84Å; L695-L699 HydrophobicContact CG-CD2 4.21Å; L695-L699 HydrophobicContact CG-CG 3.9Å; L695-L699 WeakPolarHBondContact O-CB 3.4Å; L695-L699 WeakPolarHBondContact O-CG 3.33Å; L695-L699 PolarHBondContact O-N 2.94Å; A697-L699 VanDerWaalsContact C-N 3.25Å; A697-L699 PolarHBondContact O-N 3.06Å; L699-S703 PolarHBondContact O-N 2.93Å; L699-W724 HydrophobicContact CB-CH2 4.4Å; L699-W724 HydrophobicContact CD2-CE3 4.22Å; L699-W724 HydrophobicContact CD2-CH2 3.04Å; L699-W724 HydrophobicContact CD2-CZ2 4.26Å; L699-W724 HydrophobicContact CD2-CZ3 3.02Å; L699-W724 HydrophobicContact CG-CH2 4.27Å; L699-W724 HydrophobicContact CG-CZ3 4.41Å; L699-F742 HydrophobicContact CB-CE1 3.83Å; L699-F742 HydrophobicContact CB-CZ 4.39Å; L699-F742 HydrophobicContact CD1-CD1 4.34Å; L699-F742 HydrophobicContact CD1-CE1 4.32Å; L699-F742 HydrophobicContact CD2-CE1 4.13Å; L699-F742 HydrophobicContact CG-CE1 4.31Å |
| 700 | S | 55.1 | Low | 49.8 | Very low | 32 Ų | 32 | 66 Ų | 66 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 177.3 | -163 | 0 | 0 | 0 | 0 | 111.4 | E696 A697 V702 S703 | E696-S700 PolarHBondContact O-N 3.41Å; A697-S700 PolarHBondContact O-N 2.93Å; S700-V702 PolarHBondContact O-N 2.84Å; S700-S703 PolarHBondContact O-N 3.41Å; S700-S703 PolarHBondContact O-OG 3.38Å |
| 701 | E | 55.5 | Low | 50 | Low | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.8 | -36.5 | -178 | -66.2 | 178.6 | 174.9 | 0 | 0 | 114 | A697 | A697-E701 PolarHBondContact O-N 3.05Å |
| 702 | V | 51.7 | Low | 51.3 | Low | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.03 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.8 | -34 | 177.3 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | Q641 A698 S700 L705 S706 L720 W724 | Q641-V702 HydrophobicContact CG-CG2 3.98Å; A698-V702 WeakPolarHBondContact O-CG2 3.44Å; A698-V702 PolarHBondContact O-N 2.98Å; S700-V702 PolarHBondContact O-N 2.84Å; V702-L705 PolarHBondContact O-N 3.47Å; V702-S706 PolarHBondContact O-N 2.79Å; V702-L720 HydrophobicContact CG1-CD1 4.4Å; V702-L720 HydrophobicContact CG1-CD2 4.24Å; V702-W724 HydrophobicContact CB-CZ2 4.13Å; V702-W724 HydrophobicContact CG1-CZ2 3.82Å |
| 703 | S | 52.8 | Low | 52.5 | Low | 27 Ų | 27 | 73 Ų | 73 | 19% | 0.189 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66 | -39.5 | -176.2 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | L699 S700 L705 S706 | L699-S703 PolarHBondContact O-N 2.93Å; S700-S703 PolarHBondContact O-N 3.41Å; S700-S703 PolarHBondContact O-OG 3.38Å; S703-L705 VanDerWaalsContact C-N 3.28Å; S703-L705 PolarHBondContact O-N 3.31Å; S703-S706 PolarHBondContact O-N 3.29Å; S703-S706 PolarHBondContact O-OG 3.41Å |
| 704 | D | 50.1 | Low | 53.8 | Low | 97 Ų | 97 | 76 Ų | 76 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.6 | -33 | 176.9 | -79 | -22.7 | 0 | 0 | 0 | 112.3 | S707 | D704-S707 PolarHBondContact O-OG 3.35Å |
| 705 | L | 49 | Very low | 55.6 | Low | 74 Ų | 74 | 74.9 Ų | 74.9 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -76.3 | -35.7 | 176.9 | -98.8 | 96.2 | 0 | 0 | 0 | 113.9 | D645 V702 S703 S707 T708 | D645-L705 VanDerWaalsContact OD1-CD2 3.3Å; D645-L705 WeakPolarHBondContact OD1-CD2 3.34Å; D645-L705 WeakPolarHBondContact OD2-CD2 3.45Å; V702-L705 PolarHBondContact O-N 3.47Å; S703-L705 VanDerWaalsContact C-N 3.28Å; S703-L705 PolarHBondContact O-N 3.31Å; L705-S707 PolarHBondContact O-N 3.07Å; L705-S707 VanDerWaalsContact O-N 3.12Å; L705-T708 PolarHBondContact O-N 2.69Å; L705-T708 VanDerWaalsContact O-N 3.11Å; L705-T708 PolarHBondContact O-OG1 3.28Å |
| 706 | S | 49.3 | Very low | 57.3 | Low | 24 Ų | 24 | 75.5 Ų | 75.5 | 17% | 0.168 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.9 | -26.8 | -177.7 | 77.4 | 0 | 0 | 0 | 0 | 113.1 | V702 S703 | V702-S706 PolarHBondContact O-N 2.79Å; S703-S706 PolarHBondContact O-N 3.29Å; S703-S706 PolarHBondContact O-OG 3.41Å |
| 707 | S | 47.4 | Very low | 58.7 | Low | 91 Ų | 91 | 75 Ų | 75 | 64% | 0.636 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -20.7 | -179 | 75.1 | 0 | 0 | 0 | 0 | 113.8 | D704 L705 | D704-S707 PolarHBondContact O-OG 3.35Å; L705-S707 PolarHBondContact O-N 3.07Å; L705-S707 VanDerWaalsContact O-N 3.12Å |
| 708 | T | 45.4 | Very low | 60.3 | Low | 94 Ų | 94 | 73.9 Ų | 73.9 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -113.1 | 88.4 | -171.2 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | L705 | L705-T708 PolarHBondContact O-N 2.69Å; L705-T708 VanDerWaalsContact O-N 3.11Å; L705-T708 PolarHBondContact O-OG1 3.28Å |
| 709 | R | 49.9 | Very low | 62.2 | Low | 173 Ų | 173 | 74.5 Ų | 74.5 | 65% | 0.653 | 39% | 0.393 | S | S | * | . | trans | 72.2 | 101.7 | 165.7 | -57.4 | 179.2 | -164.7 | -149.1 | 0.9 | 116.4 | Q711 | R709-Q711 VanDerWaalsContact C-N 3.33Å; R709-Q711 PolarHBondContact O-N 3.37Å | ||
| 710 | R | 54.6 | Low | 63.8 | Low | 159 Ų | 159 | 74.1 Ų | 74.1 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | trans | -73.6 | 79.8 | 166 | -57.4 | 174.9 | -165 | -167 | -0.7 | 110.4 | S749 L750 | R710-S749 PolarHBondContact NH2-O 3.48Å; R710-L750 PolarHBondContact NH1-O 3.11Å | ||
| 711 | Q | 49.7 | Very low | 65.5 | Low | 154 Ų | 154 | 73.3 Ų | 73.3 | 72% | 0.72 | 38% | 0.383 | S | S | * | . | trans | -119.9 | 115.4 | 168.7 | -74.4 | -177.3 | -16.2 | 0 | 0 | 108.4 | R709 | R709-Q711 VanDerWaalsContact C-N 3.33Å; R709-Q711 PolarHBondContact O-N 3.37Å | ||
| 712 | G | 61.3 | Low | 67.2 | Low | 48 Ų | 48 | 73.9 Ų | 73.9 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 153.8 | 168.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 713 | P | 73.4 | Confident | 69.1 | Low | 67 Ų | 67 | 73.7 Ų | 73.7 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | trans | -53.6 | 136.8 | 174.4 | -25.1 | 31.9 | 0 | 0 | 0 | 113 | Y715 I716 | P713-Y715 HydrophobicContact CB-CD1 3.42Å; P713-Y715 VanDerWaalsContact CB-CD1 3.42Å; P713-Y715 HydrophobicContact CB-CE1 3.21Å; P713-Y715 HydrophobicContact CB-CG 4.47Å; P713-Y715 HydrophobicContact CG-CD1 4.5Å; P713-Y715 HydrophobicContact CG-CE1 3.83Å; P713-Y715 PolarHBondContact O-N 2.98Å; P713-I716 HydrophobicContact CB-CD1 4.21Å; P713-I716 HydrophobicContact CB-CG1 4.34Å; P713-I716 HydrophobicContact CG-CD1 4.05Å; P713-I716 PolarHBondContact O-N 3.32Å | ||
| 714 | T | 79.4 | Confident | 70.9 | Confident | 123 Ų | 123 | 72.5 Ų | 72.5 | 76% | 0.755 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.8 | -29.9 | -177.8 | 40.1 | 0 | 0 | 0 | 0 | 113.8 | I716 W717 A718 | T714-I716 VanDerWaalsContact C-N 3.27Å; T714-I716 PolarHBondContact O-N 3.43Å; T714-W717 PolarHBondContact O-N 3.08Å; T714-A718 WeakPolarHBondContact O-CB 3.37Å; T714-A718 PolarHBondContact O-N 3.34Å |
| 715 | Y | 82 | Confident | 73 | Confident | 135 Ų | 135 | 68.3 Ų | 68.3 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.6 | -28 | -178.7 | 76.3 | -96.9 | 0 | 0 | 0 | 113.3 | P713 T719 | P713-Y715 HydrophobicContact CB-CD1 3.42Å; P713-Y715 VanDerWaalsContact CB-CD1 3.42Å; P713-Y715 HydrophobicContact CB-CE1 3.21Å; P713-Y715 HydrophobicContact CB-CG 4.47Å; P713-Y715 HydrophobicContact CG-CD1 4.5Å; P713-Y715 HydrophobicContact CG-CE1 3.83Å; P713-Y715 PolarHBondContact O-N 2.98Å; Y715-T719 WeakPolarHBondContact O-CB 3.48Å; Y715-T719 PolarHBondContact O-N 2.96Å; Y715-T719 PolarHBondContact O-OG1 3.41Å |
| 716 | I | 84.6 | Confident | 75.2 | Confident | 19 Ų | 19 | 66.1 Ų | 66.1 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -48 | -179.9 | -61.1 | 174.6 | 0 | 0 | 0 | 109.4 | W640 Y644 P713 T714 T719 L720 | W640-I716 HydrophobicContact CZ2-CG2 3.84Å; W640-I716 PolarHBondContact NE1-O 3.42Å; W640-I716 VanDerWaalsContact NE1-O 3.13Å; Y644-I716 HydrophobicContact CD1-CD1 3.87Å; Y644-I716 HydrophobicContact CD1-CG1 4.32Å; Y644-I716 HydrophobicContact CD1-CG2 3.86Å; Y644-I716 HydrophobicContact CD2-CG2 3.78Å; Y644-I716 HydrophobicContact CE1-CB 4.47Å; Y644-I716 HydrophobicContact CE1-CD1 3.64Å; Y644-I716 HydrophobicContact CE1-CG1 3.77Å; Y644-I716 HydrophobicContact CE1-CG2 3.91Å; Y644-I716 HydrophobicContact CE2-CG2 3.9Å; Y644-I716 HydrophobicContact CG-CG2 3.81Å; P713-I716 HydrophobicContact CB-CD1 4.21Å; P713-I716 HydrophobicContact CB-CG1 4.34Å; P713-I716 HydrophobicContact CG-CD1 4.05Å; P713-I716 PolarHBondContact O-N 3.32Å; T714-I716 VanDerWaalsContact C-N 3.27Å; T714-I716 PolarHBondContact O-N 3.43Å; I716-T719 WeakPolarHBondContact O-CB 3.37Å; I716-T719 PolarHBondContact O-N 3.33Å; I716-L720 PolarHBondContact O-N 3.09Å; I716-L720 VanDerWaalsContact O-N 3.14Å |
| 717 | W | 84.1 | Confident | 77.2 | Confident | 60 Ų | 60 | 65 Ų | 65 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.2 | -37.7 | 178.3 | -54.4 | 108 | 0 | 0 | 0 | 112 | W640 T714 T719 L720 E721 L750 | W640-W717 HydrophobicContact CH2-CE3 4.37Å; W640-W717 HydrophobicContact CH2-CH2 4.38Å; W640-W717 AromaticContact CH2-CZ3 3.79Å; W640-W717 HydrophobicContact CH2-CZ3 3.79Å; W640-W717 HydrophobicContact CZ2-CE3 4.08Å; W640-W717 AromaticContact CZ2-CZ3 3.95Å; W640-W717 HydrophobicContact CZ2-CZ3 3.95Å; T714-W717 PolarHBondContact O-N 3.08Å; W717-T719 PolarHBondContact O-N 3.11Å; W717-L720 HydrophobicContact CE3-CD2 4.42Å; W717-L720 PolarHBondContact O-N 3.05Å; W717-E721 WeakPolarHBondContact O-CB 3.44Å; W717-E721 PolarHBondContact O-N 3.31Å; W717-L750 HydrophobicContact CE3-CD2 4.04Å |
| 718 | A | 87.8 | Confident | 79.3 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -31.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T714 R722 | T714-A718 WeakPolarHBondContact O-CB 3.37Å; T714-A718 PolarHBondContact O-N 3.34Å; A718-R722 WeakPolarHBondContact O-CD 3.4Å; A718-R722 VanDerWaalsContact O-CG 3.22Å; A718-R722 WeakPolarHBondContact O-CG 3.42Å; A718-R722 PolarHBondContact O-N 3.11Å; A718-R722 VanDerWaalsContact O-N 3.1Å |
| 719 | T | 88.6 | Confident | 81.6 | Confident | 21 Ų | 21 | 57 Ų | 57 | 13% | 0.129 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.5 | -45.3 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | F610 Y715 I716 W717 E721 R722 I723 | F610-T719 HydrophobicContact CB-CG2 3.76Å; F610-T719 HydrophobicContact CD1-CG2 3.97Å; F610-T719 HydrophobicContact CD2-CG2 3.76Å; F610-T719 HydrophobicContact CE2-CG2 4.35Å; F610-T719 HydrophobicContact CG-CG2 3.54Å; Y715-T719 WeakPolarHBondContact O-CB 3.48Å; Y715-T719 PolarHBondContact O-N 2.96Å; Y715-T719 PolarHBondContact O-OG1 3.41Å; I716-T719 WeakPolarHBondContact O-CB 3.37Å; I716-T719 PolarHBondContact O-N 3.33Å; W717-T719 PolarHBondContact O-N 3.11Å; T719-E721 PolarHBondContact O-N 3.25Å; T719-R722 WeakPolarHBondContact O-CB 3.35Å; T719-R722 PolarHBondContact O-N 3.2Å; T719-I723 HydrophobicContact CG2-CD1 4.3Å; T719-I723 WeakPolarHBondContact O-CG1 3.09Å; T719-I723 PolarHBondContact O-N 3.42Å |
| 720 | L | 89 | Confident | 83.7 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 175.4 | -175.7 | 61.4 | 0 | 0 | 0 | 111.6 | L637 W640 V702 I716 W717 R722 I723 W724 L750 | L637-L720 HydrophobicContact CD2-CD1 3.6Å; W640-L720 HydrophobicContact CD2-CB 4.35Å; W640-L720 HydrophobicContact CD2-CD1 3.94Å; W640-L720 HydrophobicContact CD2-CD2 4.44Å; W640-L720 HydrophobicContact CD2-CG 4.46Å; W640-L720 HydrophobicContact CE3-CD1 4.06Å; W640-L720 HydrophobicContact CE3-CD2 4.36Å; W640-L720 HydrophobicContact CG-CD1 4.34Å; W640-L720 HydrophobicContact CH2-CD2 3.63Å; W640-L720 HydrophobicContact CZ2-CB 4.01Å; W640-L720 HydrophobicContact CZ2-CD2 3.67Å; W640-L720 HydrophobicContact CZ2-CG 4.28Å; W640-L720 HydrophobicContact CZ3-CD1 4.47Å; W640-L720 HydrophobicContact CZ3-CD2 3.98Å; V702-L720 HydrophobicContact CG1-CD1 4.4Å; V702-L720 HydrophobicContact CG1-CD2 4.24Å; I716-L720 PolarHBondContact O-N 3.09Å; I716-L720 VanDerWaalsContact O-N 3.14Å; W717-L720 HydrophobicContact CE3-CD2 4.42Å; W717-L720 PolarHBondContact O-N 3.05Å; L720-R722 VanDerWaalsContact C-N 3.3Å; L720-R722 PolarHBondContact O-N 3.14Å; L720-I723 WeakPolarHBondContact O-CB 3.36Å; L720-I723 PolarHBondContact O-N 3.43Å; L720-I723 VanDerWaalsContact O-N 3.11Å; L720-W724 PolarHBondContact O-N 3.02Å; L720-L750 HydrophobicContact CB-CD1 4.05Å; L720-L750 HydrophobicContact CD2-CD1 3.74Å; L720-L750 HydrophobicContact CD2-CD2 4.1Å; L720-L750 HydrophobicContact CG-CD1 3.7Å |
| 721 | E | 89.6 | Confident | 85.4 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.4 | -46.1 | 173.8 | -176.5 | -163.4 | 151.4 | 0 | 0 | 111.3 | W717 T719 I723 W724 L725 A747 L750 S751 S754 S756 V757 | W717-E721 WeakPolarHBondContact O-CB 3.44Å; W717-E721 PolarHBondContact O-N 3.31Å; T719-E721 PolarHBondContact O-N 3.25Å; E721-I723 VanDerWaalsContact C-N 3.35Å; E721-I723 PolarHBondContact O-N 2.99Å; E721-W724 PolarHBondContact O-N 3.35Å; E721-L725 HydrophobicContact CG-CD1 4.06Å; E721-L725 HydrophobicContact CG-CG 4.48Å; E721-L725 WeakPolarHBondContact O-CB 3.27Å; E721-L725 VanDerWaalsContact O-CG 3.28Å; E721-L725 WeakPolarHBondContact O-CG 3.29Å; E721-L725 PolarHBondContact O-N 2.9Å; E721-A747 HydrophobicContact CG-CB 4.24Å; E721-L750 HydrophobicContact CB-CD1 4.22Å; E721-S751 WeakPolarHBondContact OE2-CB 3.5Å; E721-S751 PolarHBondContact OE2-OG 3.11Å; E721-S754 WeakPolarHBondContact OE1-CB 3.47Å; E721-S754 PolarHBondContact OE1-OG 3.09Å; E721-S756 PolarHBondContact OE1-OG 3.25Å; E721-V757 HydrophobicContact CG-CG2 4.22Å |
| 722 | R | 92.3 | Very high | 87.4 | Confident | 134 Ų | 134 | 34.9 Ų | 34.9 | 51% | 0.506 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -41 | 177.3 | -74.6 | 167.6 | -179.6 | 174.7 | 1.3 | 112.1 | A718 T719 L720 L725 Q726 | A718-R722 WeakPolarHBondContact O-CD 3.4Å; A718-R722 VanDerWaalsContact O-CG 3.22Å; A718-R722 WeakPolarHBondContact O-CG 3.42Å; A718-R722 PolarHBondContact O-N 3.11Å; A718-R722 VanDerWaalsContact O-N 3.1Å; T719-R722 WeakPolarHBondContact O-CB 3.35Å; T719-R722 PolarHBondContact O-N 3.2Å; L720-R722 VanDerWaalsContact C-N 3.3Å; L720-R722 PolarHBondContact O-N 3.14Å; R722-L725 PolarHBondContact O-N 2.98Å; R722-Q726 VanDerWaalsContact O-CG 3.32Å; R722-Q726 WeakPolarHBondContact O-CG 3.26Å; R722-Q726 PolarHBondContact O-N 3.49Å |
| 723 | I | 91.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -49 | 177 | -64.7 | 164.3 | 0 | 0 | 0 | 110 | F610 M636 L637 W640 T719 L720 E721 L725 Q726 A727 | F610-I723 HydrophobicContact CD1-CD1 3.97Å; F610-I723 HydrophobicContact CE1-CD1 4.01Å; M636-I723 HydrophobicContact CB-CD1 4.01Å; M636-I723 HydrophobicContact CB-CG1 4.22Å; M636-I723 HydrophobicContact CB-CG2 4.2Å; M636-I723 HydrophobicContact CE-CD1 4.17Å; M636-I723 HydrophobicContact CE-CG1 3.58Å; L637-I723 HydrophobicContact CD2-CB 4.38Å; L637-I723 HydrophobicContact CD2-CG2 3.62Å; L637-I723 HydrophobicContact CG-CG2 3.75Å; W640-I723 HydrophobicContact CB-CD1 4.4Å; T719-I723 HydrophobicContact CG2-CD1 4.3Å; T719-I723 WeakPolarHBondContact O-CG1 3.09Å; T719-I723 PolarHBondContact O-N 3.42Å; L720-I723 WeakPolarHBondContact O-CB 3.36Å; L720-I723 PolarHBondContact O-N 3.43Å; L720-I723 VanDerWaalsContact O-N 3.11Å; E721-I723 VanDerWaalsContact C-N 3.35Å; E721-I723 PolarHBondContact O-N 2.99Å; I723-L725 PolarHBondContact O-N 3.45Å; I723-Q726 PolarHBondContact O-N 2.81Å; I723-A727 PolarHBondContact O-N 2.98Å |
| 724 | W | 91.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.4 | -44.9 | 177.4 | -76.3 | 123.6 | 0 | 0 | 0 | 113.3 | L637 L699 V702 L720 E721 Q726 A727 G728 F742 C743 E746 A747 | L637-W724 HydrophobicContact CD2-CZ2 4.45Å; L699-W724 HydrophobicContact CB-CH2 4.4Å; L699-W724 HydrophobicContact CD2-CE3 4.22Å; L699-W724 HydrophobicContact CD2-CH2 3.04Å; L699-W724 HydrophobicContact CD2-CZ2 4.26Å; L699-W724 HydrophobicContact CD2-CZ3 3.02Å; L699-W724 HydrophobicContact CG-CH2 4.27Å; L699-W724 HydrophobicContact CG-CZ3 4.41Å; V702-W724 HydrophobicContact CB-CZ2 4.13Å; V702-W724 HydrophobicContact CG1-CZ2 3.82Å; L720-W724 PolarHBondContact O-N 3.02Å; E721-W724 PolarHBondContact O-N 3.35Å; W724-Q726 VanDerWaalsContact C-N 3.32Å; W724-Q726 PolarHBondContact O-N 3.37Å; W724-A727 PolarHBondContact O-N 2.95Å; W724-G728 PolarHBondContact O-N 3.28Å; W724-F742 HydrophobicContact CH2-CE1 4.02Å; W724-F742 HydrophobicContact CZ3-CD1 4.36Å; W724-F742 HydrophobicContact CZ3-CE1 4.11Å; W724-C743 HydrophobicContact CE3-CB 3.95Å; W724-C743 HydrophobicContact CZ3-CB 4.34Å; W724-E746 HydrophobicContact CD2-CB 3.8Å; W724-E746 HydrophobicContact CE3-CB 4.04Å; W724-E746 HydrophobicContact CG-CB 4.19Å; W724-E746 HydrophobicContact CH2-CB 4.15Å; W724-E746 HydrophobicContact CH2-CG 3.89Å; W724-E746 HydrophobicContact CZ2-CB 4.01Å; W724-E746 HydrophobicContact CZ2-CG 4.04Å; W724-E746 HydrophobicContact CZ3-CB 4.15Å; W724-E746 HydrophobicContact CZ3-CG 4.14Å; W724-A747 HydrophobicContact CB-CB 3.82Å |
| 725 | L | 93.6 | Very high | 90 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.3 | -34.4 | 177.9 | -69 | 176.1 | 0 | 0 | 0 | 112.4 | E721 R722 I723 E729 A747 S756 V757 Q760 | E721-L725 HydrophobicContact CG-CD1 4.06Å; E721-L725 HydrophobicContact CG-CG 4.48Å; E721-L725 WeakPolarHBondContact O-CB 3.27Å; E721-L725 VanDerWaalsContact O-CG 3.28Å; E721-L725 WeakPolarHBondContact O-CG 3.29Å; E721-L725 PolarHBondContact O-N 2.9Å; R722-L725 PolarHBondContact O-N 2.98Å; I723-L725 PolarHBondContact O-N 3.45Å; L725-E729 WeakPolarHBondContact O-CB 3.36Å; L725-E729 PolarHBondContact O-N 3.25Å; L725-A747 HydrophobicContact CD2-CB 3.63Å; L725-A747 HydrophobicContact CG-CB 3.8Å; L725-S756 WeakPolarHBondContact CD1-OG 3.32Å; L725-V757 HydrophobicContact CD1-CG2 4.04Å; L725-V757 HydrophobicContact CD2-CB 4.39Å; L725-V757 HydrophobicContact CD2-CG2 3.98Å; L725-V757 HydrophobicContact CG-CG2 4.41Å; L725-Q760 HydrophobicContact CD2-CB 4.13Å; L725-Q760 HydrophobicContact CD2-CG 3.83Å |
| 726 | Q | 94.1 | Very high | 90.3 | Very high | 27 Ų | 27 | 28.5 Ų | 28.5 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.8 | -44.5 | 173.4 | -69.3 | -53.1 | -93.6 | 0 | 0 | 112.3 | L614 R722 I723 W724 G728 E729 L730 | L614-Q726 HydrophobicContact CD2-CB 4.37Å; L614-Q726 HydrophobicContact CD2-CG 3.47Å; L614-Q726 VanDerWaalsContact CD2-CG 3.47Å; R722-Q726 VanDerWaalsContact O-CG 3.32Å; R722-Q726 WeakPolarHBondContact O-CG 3.26Å; R722-Q726 PolarHBondContact O-N 3.49Å; I723-Q726 PolarHBondContact O-N 2.81Å; W724-Q726 VanDerWaalsContact C-N 3.32Å; W724-Q726 PolarHBondContact O-N 3.37Å; Q726-G728 VanDerWaalsContact C-N 3.3Å; Q726-G728 PolarHBondContact O-N 3.13Å; Q726-E729 PolarHBondContact NE2-OE2 2.87Å; Q726-E729 PolarHBondContact O-N 3.44Å; Q726-L730 WeakPolarHBondContact O-CG 3.48Å; Q726-L730 PolarHBondContact O-N 3.41Å |
| 727 | A | 91.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L630 C633 I723 W724 E729 L730 F731 | L630-A727 HydrophobicContact CD2-CB 4.4Å; C633-A727 HydrophobicContact CB-CB 4.37Å; I723-A727 PolarHBondContact O-N 2.98Å; W724-A727 PolarHBondContact O-N 2.95Å; A727-E729 PolarHBondContact O-N 3.31Å; A727-L730 PolarHBondContact O-N 3.15Å; A727-F731 WeakPolarHBondContact O-CD2 3.46Å; A727-F731 PolarHBondContact O-N 2.97Å |
| 728 | G | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W724 Q726 F731 M732 | W724-G728 PolarHBondContact O-N 3.28Å; Q726-G728 VanDerWaalsContact C-N 3.3Å; Q726-G728 PolarHBondContact O-N 3.13Å; G728-F731 PolarHBondContact O-N 2.63Å; G728-M732 WeakPolarHBondContact O-CG 3.32Å; G728-M732 PolarHBondContact O-N 3.47Å |
| 729 | E | 93.8 | Very high | 90.6 | Very high | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 175.5 | -169.3 | 174.2 | -156.3 | 0 | 0 | 111.4 | K618 L725 Q726 A727 M732 A733 R763 R790 | K618-E729 VanDerWaalsContact NZ-CD 3.26Å; K618-E729 IonicContact NZ-OE1 3.79Å; K618-E729 IonicContact NZ-OE2 2.79Å; K618-E729 PolarHBondContact NZ-OE2 3.38Å; L725-E729 WeakPolarHBondContact O-CB 3.36Å; L725-E729 PolarHBondContact O-N 3.25Å; Q726-E729 PolarHBondContact NE2-OE2 2.87Å; Q726-E729 PolarHBondContact O-N 3.44Å; A727-E729 PolarHBondContact O-N 3.31Å; E729-M732 PolarHBondContact O-N 3.11Å; E729-A733 PolarHBondContact O-N 3.5Å; E729-R763 IonicContact OE1-NH1 2.72Å; E729-R790 IonicContact OE1-CZ 3.32Å; E729-R790 IonicContact OE1-NH1 3.15Å; E729-R790 IonicContact OE1-NH2 3.61Å; E729-R790 PolarHBondContact OE1-NH2 3.08Å |
| 730 | L | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -41.8 | 177 | -66.1 | 171.4 | 0 | 0 | 0 | 112.7 | V617 E621 P626 A629 L630 Q726 A727 M732 A733 D734 | V617-L730 HydrophobicContact CG1-CD1 3.83Å; V617-L730 HydrophobicContact CG1-CG 4.5Å; E621-L730 HydrophobicContact CB-CD2 3.97Å; E621-L730 HydrophobicContact CG-CD2 3.74Å; P626-L730 HydrophobicContact CB-CD2 4.5Å; A629-L730 HydrophobicContact CB-CD1 3.68Å; A629-L730 HydrophobicContact CB-CD2 3.71Å; A629-L730 HydrophobicContact CB-CG 4.35Å; L630-L730 HydrophobicContact CD2-CB 3.85Å; L630-L730 HydrophobicContact CD2-CD1 3.91Å; L630-L730 HydrophobicContact CG-CB 4.03Å; L630-L730 HydrophobicContact CG-CD1 4.03Å; Q726-L730 WeakPolarHBondContact O-CG 3.48Å; Q726-L730 PolarHBondContact O-N 3.41Å; A727-L730 PolarHBondContact O-N 3.15Å; L730-M732 VanDerWaalsContact C-N 3.32Å; L730-M732 PolarHBondContact O-N 3.3Å; L730-A733 WeakPolarHBondContact O-CB 3.46Å; L730-A733 PolarHBondContact O-N 3.3Å; L730-D734 PolarHBondContact O-N 3.29Å |
| 731 | F | 91 | Very high | 90.7 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.2 | -35.3 | 175.8 | -79.7 | -53.4 | 0 | 0 | 0 | 112.8 | L630 L695 A727 G728 A733 D734 G735 R736 E739 A740 | L630-F731 HydrophobicContact CD1-CD1 3.86Å; L630-F731 HydrophobicContact CD1-CE1 3.47Å; L630-F731 VanDerWaalsContact CD1-CE1 3.47Å; L630-F731 HydrophobicContact CD1-CZ 3.95Å; L630-F731 HydrophobicContact CD2-CD1 4.43Å; L630-F731 HydrophobicContact CD2-CD2 4.16Å; L630-F731 HydrophobicContact CD2-CE1 4.13Å; L630-F731 HydrophobicContact CD2-CE2 3.86Å; L630-F731 HydrophobicContact CD2-CG 4.43Å; L630-F731 HydrophobicContact CD2-CZ 3.84Å; L630-F731 HydrophobicContact CG-CE1 4.47Å; L695-F731 HydrophobicContact CD2-CE2 3.58Å; L695-F731 HydrophobicContact CD2-CZ 3.36Å; A727-F731 WeakPolarHBondContact O-CD2 3.46Å; A727-F731 PolarHBondContact O-N 2.97Å; G728-F731 PolarHBondContact O-N 2.63Å; F731-A733 VanDerWaalsContact C-N 3.35Å; F731-D734 PolarHBondContact O-N 3.42Å; F731-G735 PolarHBondContact O-N 3.08Å; F731-G735 VanDerWaalsContact O-N 3.16Å; F731-R736 HydrophobicContact CB-CB 4.45Å; F731-R736 HydrophobicContact CD1-CB 4.03Å; F731-R736 PolarHBondContact O-N 3.37Å; F731-E739 HydrophobicContact CB-CB 4.48Å; F731-E739 HydrophobicContact CD1-CB 3.96Å; F731-E739 HydrophobicContact CD2-CB 3.99Å; F731-E739 HydrophobicContact CE1-CB 4.12Å; F731-E739 HydrophobicContact CE2-CB 4.14Å; F731-E739 HydrophobicContact CG-CB 3.9Å; F731-E739 HydrophobicContact CZ-CB 4.19Å; F731-A740 HydrophobicContact CB-CB 3.81Å |
| 732 | M | 92.3 | Very high | 90.6 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 171.3 | -74.3 | -169.9 | -70.2 | 0 | 0 | 111.7 | G728 E729 L730 D734 G735 A740 I744 Q760 R763 L764 L767 | G728-M732 WeakPolarHBondContact O-CG 3.32Å; G728-M732 PolarHBondContact O-N 3.47Å; E729-M732 PolarHBondContact O-N 3.11Å; L730-M732 VanDerWaalsContact C-N 3.32Å; L730-M732 PolarHBondContact O-N 3.3Å; M732-D734 VanDerWaalsContact C-N 3.31Å; M732-D734 PolarHBondContact O-N 3.5Å; M732-G735 PolarHBondContact O-N 2.93Å; M732-A740 HydrophobicContact CG-CB 3.58Å; M732-I744 HydrophobicContact CE-CD1 4.21Å; M732-I744 HydrophobicContact SD-CD1 4.41Å; M732-Q760 HydrophobicContact CE-CB 4.37Å; M732-R763 HydrophobicContact CE-CB 4.39Å; M732-R763 HydrophobicContact SD-CB 4.3Å; M732-L764 HydrophobicContact CG-CD1 4.13Å; M732-L764 HydrophobicContact SD-CB 3.82Å; M732-L764 HydrophobicContact SD-CD1 4.09Å; M732-L767 HydrophobicContact CB-CD1 3.74Å; M732-L767 HydrophobicContact CG-CD1 3.9Å; M732-L767 HydrophobicContact SD-CD1 3.87Å |
| 733 | A | 90.4 | Very high | 90.4 | Very high | 65 Ų | 65 | 33.3 Ų | 33.3 | 54% | 0.537 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.2 | -33.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E729 L730 F731 G735 | E729-A733 PolarHBondContact O-N 3.5Å; L730-A733 WeakPolarHBondContact O-CB 3.46Å; L730-A733 PolarHBondContact O-N 3.3Å; F731-A733 VanDerWaalsContact C-N 3.35Å; A733-G735 VanDerWaalsContact C-N 3.27Å; A733-G735 PolarHBondContact O-N 2.94Å |
| 734 | D | 88.9 | Confident | 90.3 | Very high | 74 Ų | 74 | 33.4 Ų | 33.4 | 40% | 0.396 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -5.9 | 175.3 | -159 | 47.3 | 0 | 0 | 0 | 113.3 | P626 L730 F731 M732 R736 | P626-D734 HydrophobicContact CB-CB 4.17Å; P626-D734 HydrophobicContact CG-CB 3.95Å; L730-D734 PolarHBondContact O-N 3.29Å; F731-D734 PolarHBondContact O-N 3.42Å; M732-D734 VanDerWaalsContact C-N 3.31Å; M732-D734 PolarHBondContact O-N 3.5Å; D734-R736 VanDerWaalsContact C-N 3.31Å; D734-R736 PolarHBondContact O-N 3.39Å; D734-R736 VanDerWaalsContact OD2-CD 3.26Å; D734-R736 WeakPolarHBondContact OD2-CD 3.4Å |
| 735 | G | 88.4 | Confident | 90.1 | Very high | 54 Ų | 54 | 35.7 Ų | 35.7 | 56% | 0.557 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 5.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | F731 M732 A733 L737 | F731-G735 PolarHBondContact O-N 3.08Å; F731-G735 VanDerWaalsContact O-N 3.16Å; M732-G735 PolarHBondContact O-N 2.93Å; A733-G735 VanDerWaalsContact C-N 3.27Å; A733-G735 PolarHBondContact O-N 2.94Å; G735-L737 PolarHBondContact O-N 3.23Å; G735-L737 VanDerWaalsContact O-N 3.14Å |
| 736 | R | 88.4 | Confident | 89.7 | Confident | 46 Ų | 46 | 36.5 Ų | 36.5 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | trans | -88.4 | 74.2 | -177.4 | -71.4 | -173 | 66.5 | -164.8 | 2.5 | 111.8 | V692 E696 F731 D734 K738 E739 A740 | V692-R736 VanDerWaalsContact CG1-CZ 3.42Å; E696-R736 IonicContact OE1-NH2 3.52Å; F731-R736 HydrophobicContact CB-CB 4.45Å; F731-R736 HydrophobicContact CD1-CB 4.03Å; F731-R736 PolarHBondContact O-N 3.37Å; D734-R736 VanDerWaalsContact C-N 3.31Å; D734-R736 PolarHBondContact O-N 3.39Å; D734-R736 VanDerWaalsContact OD2-CD 3.26Å; D734-R736 WeakPolarHBondContact OD2-CD 3.4Å; R736-K738 VanDerWaalsContact C-N 3.29Å; R736-K738 PolarHBondContact O-N 3.42Å; R736-E739 WeakPolarHBondContact CB-OE2 3.36Å; R736-E739 IonicContact CZ-OE1 3.81Å; R736-E739 VanDerWaalsContact NE-CD 3.3Å; R736-E739 IonicContact NE-OE1 2.85Å; R736-E739 PolarHBondContact NE-OE1 3.25Å; R736-E739 IonicContact NE-OE2 3.65Å; R736-E739 VanDerWaalsContact NH2-CD 3.3Å; R736-E739 IonicContact NH2-OE1 2.84Å; R736-E739 PolarHBondContact NH2-OE1 3.04Å; R736-E739 PolarHBondContact O-N 3.37Å; R736-A740 PolarHBondContact O-N 3.47Å; R736-A740 VanDerWaalsContact O-N 3.11Å | ||
| 737 | L | 90.9 | Very high | 89.4 | Confident | 48 Ų | 48 | 35.2 Ų | 35.2 | 25% | 0.251 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -70.1 | -17.2 | -169.3 | -56.1 | -176 | 0 | 0 | 0 | 115 | G735 Q741 L764 L767 R768 | G735-L737 PolarHBondContact O-N 3.23Å; G735-L737 VanDerWaalsContact O-N 3.14Å; L737-Q741 PolarHBondContact O-N 3.17Å; L737-L764 HydrophobicContact CB-CD1 4.13Å; L737-L764 HydrophobicContact CD2-CD1 3.99Å; L737-L767 HydrophobicContact CD2-CB 4.08Å; L737-L767 HydrophobicContact CD2-CD1 4.04Å; L737-R768 HydrophobicContact CD1-CG 4.14Å; L737-R768 PolarHBondContact O-NH2 2.93Å; L737-R768 VanDerWaalsContact O-NH2 3.08Å |
| 738 | K | 86.8 | Confident | 89.3 | Confident | 126 Ų | 126 | 36.2 Ų | 36.2 | 55% | 0.548 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -80.3 | -42.9 | 179 | -67.5 | -177.1 | 180 | 179.8 | 0 | 110.7 | R736 Q741 F742 | R736-K738 VanDerWaalsContact C-N 3.29Å; R736-K738 PolarHBondContact O-N 3.42Å; K738-Q741 VanDerWaalsContact O-CB 3.31Å; K738-Q741 WeakPolarHBondContact O-CB 3.18Å; K738-Q741 PolarHBondContact O-N 3.05Å; K738-F742 PolarHBondContact O-N 3.2Å |
| 739 | E | 86.4 | Confident | 88.9 | Confident | 51 Ų | 51 | 38 Ų | 38 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.8 | -38.9 | 178.7 | -58.6 | 89.4 | 153 | 0 | 0 | 110.4 | F731 R736 Q741 F742 C743 | F731-E739 HydrophobicContact CB-CB 4.48Å; F731-E739 HydrophobicContact CD1-CB 3.96Å; F731-E739 HydrophobicContact CD2-CB 3.99Å; F731-E739 HydrophobicContact CE1-CB 4.12Å; F731-E739 HydrophobicContact CE2-CB 4.14Å; F731-E739 HydrophobicContact CG-CB 3.9Å; F731-E739 HydrophobicContact CZ-CB 4.19Å; R736-E739 WeakPolarHBondContact CB-OE2 3.36Å; R736-E739 IonicContact CZ-OE1 3.81Å; R736-E739 VanDerWaalsContact NE-CD 3.3Å; R736-E739 IonicContact NE-OE1 2.85Å; R736-E739 PolarHBondContact NE-OE1 3.25Å; R736-E739 IonicContact NE-OE2 3.65Å; R736-E739 VanDerWaalsContact NH2-CD 3.3Å; R736-E739 IonicContact NH2-OE1 2.84Å; R736-E739 PolarHBondContact NH2-OE1 3.04Å; R736-E739 PolarHBondContact O-N 3.37Å; E739-Q741 VanDerWaalsContact C-N 3.3Å; E739-Q741 PolarHBondContact O-N 2.93Å; E739-F742 WeakPolarHBondContact O-CB 3.02Å; E739-F742 PolarHBondContact O-N 2.99Å; E739-C743 PolarHBondContact O-N 3.43Å; E739-C743 PolarHBondContact O-SG 3.34Å |
| 740 | A | 89.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57 | -43.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | F731 M732 R736 F742 C743 I744 L764 | F731-A740 HydrophobicContact CB-CB 3.81Å; M732-A740 HydrophobicContact CG-CB 3.58Å; R736-A740 PolarHBondContact O-N 3.47Å; R736-A740 VanDerWaalsContact O-N 3.11Å; A740-F742 VanDerWaalsContact C-N 3.33Å; A740-F742 PolarHBondContact O-N 3.44Å; A740-C743 PolarHBondContact O-N 2.98Å; A740-I744 WeakPolarHBondContact O-CB 3.34Å; A740-I744 WeakPolarHBondContact O-CD1 3.36Å; A740-I744 VanDerWaalsContact O-CG1 3.23Å; A740-I744 WeakPolarHBondContact O-CG1 3.3Å; A740-I744 PolarHBondContact O-N 2.92Å; A740-L764 HydrophobicContact CB-CD1 4.14Å |
| 741 | Q | 89.3 | Confident | 87.8 | Confident | 98 Ų | 98 | 39.8 Ų | 39.8 | 46% | 0.458 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -42 | 177.1 | -171.5 | 178 | -8.5 | 0 | 0 | 112 | L737 K738 E739 I744 A745 L764 | L737-Q741 PolarHBondContact O-N 3.17Å; K738-Q741 VanDerWaalsContact O-CB 3.31Å; K738-Q741 WeakPolarHBondContact O-CB 3.18Å; K738-Q741 PolarHBondContact O-N 3.05Å; E739-Q741 VanDerWaalsContact C-N 3.3Å; E739-Q741 PolarHBondContact O-N 2.93Å; Q741-I744 PolarHBondContact O-N 3.19Å; Q741-A745 VanDerWaalsContact O-CB 3.3Å; Q741-A745 WeakPolarHBondContact O-CB 3.35Å; Q741-A745 PolarHBondContact O-N 2.75Å; Q741-L764 HydrophobicContact CB-CD2 3.84Å; Q741-L764 HydrophobicContact CG-CD2 4.18Å |
| 742 | F | 88.1 | Confident | 87.3 | Confident | 59 Ų | 59 | 43 Ų | 43 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.5 | -52 | 176.5 | -179.7 | -90.3 | 0 | 0 | 0 | 111.3 | L699 W724 K738 E739 A740 I744 A745 E746 | L699-F742 HydrophobicContact CB-CE1 3.83Å; L699-F742 HydrophobicContact CB-CZ 4.39Å; L699-F742 HydrophobicContact CD1-CD1 4.34Å; L699-F742 HydrophobicContact CD1-CE1 4.32Å; L699-F742 HydrophobicContact CD2-CE1 4.13Å; L699-F742 HydrophobicContact CG-CE1 4.31Å; W724-F742 HydrophobicContact CH2-CE1 4.02Å; W724-F742 HydrophobicContact CZ3-CD1 4.36Å; W724-F742 HydrophobicContact CZ3-CE1 4.11Å; K738-F742 PolarHBondContact O-N 3.2Å; E739-F742 WeakPolarHBondContact O-CB 3.02Å; E739-F742 PolarHBondContact O-N 2.99Å; A740-F742 VanDerWaalsContact C-N 3.33Å; A740-F742 PolarHBondContact O-N 3.44Å; F742-I744 VanDerWaalsContact C-N 3.28Å; F742-I744 PolarHBondContact O-N 3.15Å; F742-A745 WeakPolarHBondContact O-CB 3.19Å; F742-A745 PolarHBondContact O-N 2.77Å; F742-E746 HydrophobicContact CD1-CG 4.31Å; F742-E746 HydrophobicContact CE1-CG 3.77Å; F742-E746 HydrophobicContact CZ-CG 3.94Å; F742-E746 PolarHBondContact O-N 3.1Å |
| 743 | C | 87.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 179.9 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | W724 E739 A740 E746 A747 | W724-C743 HydrophobicContact CE3-CB 3.95Å; W724-C743 HydrophobicContact CZ3-CB 4.34Å; E739-C743 PolarHBondContact O-N 3.43Å; E739-C743 PolarHBondContact O-SG 3.34Å; A740-C743 PolarHBondContact O-N 2.98Å; C743-E746 PolarHBondContact O-N 3.31Å; C743-A747 PolarHBondContact O-N 3.29Å |
| 744 | I | 89.7 | Confident | 86.9 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.9 | -33.4 | 177.7 | -66.6 | 165.5 | 0 | 0 | 0 | 111.3 | M732 A740 Q741 F742 A747 S748 V757 Q760 R761 L764 | M732-I744 HydrophobicContact CE-CD1 4.21Å; M732-I744 HydrophobicContact SD-CD1 4.41Å; A740-I744 WeakPolarHBondContact O-CB 3.34Å; A740-I744 WeakPolarHBondContact O-CD1 3.36Å; A740-I744 VanDerWaalsContact O-CG1 3.23Å; A740-I744 WeakPolarHBondContact O-CG1 3.3Å; A740-I744 PolarHBondContact O-N 2.92Å; Q741-I744 PolarHBondContact O-N 3.19Å; F742-I744 VanDerWaalsContact C-N 3.28Å; F742-I744 PolarHBondContact O-N 3.15Å; I744-A747 PolarHBondContact O-N 2.87Å; I744-S748 WeakPolarHBondContact O-CB 3.34Å; I744-S748 PolarHBondContact O-N 3.44Å; I744-S748 PolarHBondContact O-OG 3.05Å; I744-V757 HydrophobicContact CG2-CG1 4.46Å; I744-Q760 HydrophobicContact CD1-CB 3.84Å; I744-Q760 HydrophobicContact CG1-CB 4.04Å; I744-R761 HydrophobicContact CG2-CB 4.42Å; I744-R761 HydrophobicContact CG2-CG 3.27Å; I744-L764 HydrophobicContact CD1-CB 4.24Å; I744-L764 HydrophobicContact CD1-CD2 4.1Å |
| 745 | A | 86.8 | Confident | 87.1 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 41% | 0.413 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q741 F742 S748 S749 | Q741-A745 VanDerWaalsContact O-CB 3.3Å; Q741-A745 WeakPolarHBondContact O-CB 3.35Å; Q741-A745 PolarHBondContact O-N 2.75Å; F742-A745 WeakPolarHBondContact O-CB 3.19Å; F742-A745 PolarHBondContact O-N 2.77Å; A745-S748 CarbonylContact O-C 3.34Å; A745-S748 WeakPolarHBondContact O-CB 3.4Å; A745-S748 PolarHBondContact O-N 3.43Å; A745-S749 PolarHBondContact O-N 3.5Å |
| 746 | E | 85.4 | Confident | 87.3 | Confident | 25 Ų | 25 | 45.2 Ų | 45.2 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 172.7 | -70.1 | -55.6 | 123.8 | 0 | 0 | 111.7 | W724 F742 C743 S748 S749 L750 | W724-E746 HydrophobicContact CD2-CB 3.8Å; W724-E746 HydrophobicContact CE3-CB 4.04Å; W724-E746 HydrophobicContact CG-CB 4.19Å; W724-E746 HydrophobicContact CH2-CB 4.15Å; W724-E746 HydrophobicContact CH2-CG 3.89Å; W724-E746 HydrophobicContact CZ2-CB 4.01Å; W724-E746 HydrophobicContact CZ2-CG 4.04Å; W724-E746 HydrophobicContact CZ3-CB 4.15Å; W724-E746 HydrophobicContact CZ3-CG 4.14Å; F742-E746 HydrophobicContact CD1-CG 4.31Å; F742-E746 HydrophobicContact CE1-CG 3.77Å; F742-E746 HydrophobicContact CZ-CG 3.94Å; F742-E746 PolarHBondContact O-N 3.1Å; C743-E746 PolarHBondContact O-N 3.31Å; E746-S748 PolarHBondContact O-N 3.37Å; E746-S749 PolarHBondContact O-N 3.16Å; E746-S749 VanDerWaalsContact O-N 3.12Å; E746-S749 PolarHBondContact O-OG 3Å; E746-L750 WeakPolarHBondContact O-CG 3.47Å; E746-L750 PolarHBondContact O-N 2.7Å |
| 747 | A | 88 | Confident | 87.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -37.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E721 W724 L725 C743 I744 L750 S751 V757 | E721-A747 HydrophobicContact CG-CB 4.24Å; W724-A747 HydrophobicContact CB-CB 3.82Å; L725-A747 HydrophobicContact CD2-CB 3.63Å; L725-A747 HydrophobicContact CG-CB 3.8Å; C743-A747 PolarHBondContact O-N 3.29Å; I744-A747 PolarHBondContact O-N 2.87Å; A747-L750 PolarHBondContact O-N 3.34Å; A747-S751 PolarHBondContact O-N 3.49Å; A747-V757 HydrophobicContact CB-CG2 3.96Å |
| 748 | S | 87.8 | Confident | 87.7 | Confident | 22 Ų | 22 | 41 Ų | 41 | 15% | 0.154 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.5 | -33.6 | 176.2 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | I744 A745 E746 L750 S751 P752 V757 | I744-S748 WeakPolarHBondContact O-CB 3.34Å; I744-S748 PolarHBondContact O-N 3.44Å; I744-S748 PolarHBondContact O-OG 3.05Å; A745-S748 CarbonylContact O-C 3.34Å; A745-S748 WeakPolarHBondContact O-CB 3.4Å; A745-S748 PolarHBondContact O-N 3.43Å; E746-S748 PolarHBondContact O-N 3.37Å; S748-L750 VanDerWaalsContact C-N 3.31Å; S748-S751 CarbonylContact O-C 3.55Å; S748-P752 VanDerWaalsContact O-CA 3.22Å; S748-P752 WeakPolarHBondContact O-CA 3.38Å; S748-P752 VanDerWaalsContact O-CD 3.26Å; S748-P752 WeakPolarHBondContact O-CD 3.25Å; S748-P752 VanDerWaalsContact O-CG 3.22Å; S748-P752 WeakPolarHBondContact O-CG 3.28Å; S748-P752 VanDerWaalsContact O-N 3.09Å; S748-V757 WeakPolarHBondContact OG-CG1 3.47Å |
| 749 | S | 84.1 | Confident | 88.1 | Confident | 38 Ų | 38 | 35.5 Ų | 35.5 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 177.7 | 84.4 | 0 | 0 | 0 | 0 | 110.3 | R710 A745 E746 | R710-S749 PolarHBondContact NH2-O 3.48Å; A745-S749 PolarHBondContact O-N 3.5Å; E746-S749 PolarHBondContact O-N 3.16Å; E746-S749 VanDerWaalsContact O-N 3.12Å; E746-S749 PolarHBondContact O-OG 3Å |
| 750 | L | 82 | Confident | 88.5 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.4 | -54.5 | 176.1 | -61 | 173.1 | 0 | 0 | 0 | 111.7 | R710 W717 L720 E721 E746 A747 S748 | R710-L750 PolarHBondContact NH1-O 3.11Å; W717-L750 HydrophobicContact CE3-CD2 4.04Å; L720-L750 HydrophobicContact CB-CD1 4.05Å; L720-L750 HydrophobicContact CD2-CD1 3.74Å; L720-L750 HydrophobicContact CD2-CD2 4.1Å; L720-L750 HydrophobicContact CG-CD1 3.7Å; E721-L750 HydrophobicContact CB-CD1 4.22Å; E746-L750 WeakPolarHBondContact O-CG 3.47Å; E746-L750 PolarHBondContact O-N 2.7Å; A747-L750 PolarHBondContact O-N 3.34Å; S748-L750 VanDerWaalsContact C-N 3.31Å |
| 751 | S | 82.3 | Confident | 88.7 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | trans | -134.8 | 81.1 | -173.8 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | E721 A747 S748 N753 S754 | E721-S751 WeakPolarHBondContact OE2-CB 3.5Å; E721-S751 PolarHBondContact OE2-OG 3.11Å; A747-S751 PolarHBondContact O-N 3.49Å; S748-S751 CarbonylContact O-C 3.55Å; S751-N753 VanDerWaalsContact C-N 3.26Å; S751-N753 PolarHBondContact O-N 3Å; S751-S754 WeakPolarHBondContact O-CB 3.35Å; S751-S754 PolarHBondContact O-N 2.8Å; S751-S754 VanDerWaalsContact O-N 3.13Å | ||
| 752 | P | 80.9 | Confident | 89 | Confident | 70 Ų | 70 | 33.5 Ų | 33.5 | 46% | 0.455 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -34 | -174.5 | -24 | 30.4 | 0 | 0 | 0 | 114.4 | S748 | S748-P752 VanDerWaalsContact O-CA 3.22Å; S748-P752 WeakPolarHBondContact O-CA 3.38Å; S748-P752 VanDerWaalsContact O-CD 3.26Å; S748-P752 WeakPolarHBondContact O-CD 3.25Å; S748-P752 VanDerWaalsContact O-CG 3.22Å; S748-P752 WeakPolarHBondContact O-CG 3.28Å; S748-P752 VanDerWaalsContact O-N 3.09Å |
| 753 | N | 83.1 | Confident | 89.3 | Confident | 134 Ų | 134 | 32.8 Ų | 32.8 | 72% | 0.717 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 22.4 | -176.8 | -64.2 | -10.5 | 0 | 0 | 0 | 112.4 | S751 I784 | S751-N753 VanDerWaalsContact C-N 3.26Å; S751-N753 PolarHBondContact O-N 3Å; N753-I784 HydrophobicContact CB-CD1 4.3Å; N753-I784 VanDerWaalsContact O-CD1 3.24Å; N753-I784 WeakPolarHBondContact O-CD1 3.22Å |
| 754 | S | 90.3 | Very high | 89.6 | Confident | 17 Ų | 17 | 33.2 Ų | 33.2 | 12% | 0.119 | 19% | 0.185 | C | C | . | . | trans | -79 | 126.1 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | E721 S751 S756 V757 L758 | E721-S754 WeakPolarHBondContact OE1-CB 3.47Å; E721-S754 PolarHBondContact OE1-OG 3.09Å; S751-S754 WeakPolarHBondContact O-CB 3.35Å; S751-S754 PolarHBondContact O-N 2.8Å; S751-S754 VanDerWaalsContact O-N 3.13Å; S754-S756 PolarHBondContact O-N 3.16Å; S754-S756 PolarHBondContact OG-OG 3.36Å; S754-V757 WeakPolarHBondContact O-CB 3.44Å; S754-V757 PolarHBondContact O-N 2.77Å; S754-V757 VanDerWaalsContact O-N 3.1Å; S754-L758 PolarHBondContact O-N 2.94Å | ||
| 755 | H | 93.3 | Very high | 89.9 | Confident | 73 Ų | 73 | 33.1 Ų | 33.1 | 34% | 0.338 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.5 | -31.3 | 177.6 | 67.5 | -86.5 | 0 | 0 | 0 | 112.3 | L759 I784 H785 I791 | H755-L759 WeakPolarHBondContact O-CB 3.42Å; H755-L759 PolarHBondContact O-N 3.21Å; H755-I784 HydrophobicContact CB-CB 4.39Å; H755-I784 HydrophobicContact CB-CG2 4.2Å; H755-H785 HydrophobicContact CB-CB 3.89Å; H755-I791 HydrophobicContact CB-CD1 4.19Å |
| 756 | S | 93 | Very high | 90.2 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 25% | 0.245 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.3 | -34.3 | 176.4 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | E721 L725 S754 Q760 | E721-S756 PolarHBondContact OE1-OG 3.25Å; L725-S756 WeakPolarHBondContact CD1-OG 3.32Å; S754-S756 PolarHBondContact O-N 3.16Å; S754-S756 PolarHBondContact OG-OG 3.36Å; S756-Q760 WeakPolarHBondContact O-CG 3.44Å; S756-Q760 PolarHBondContact O-N 3.12Å |
| 757 | V | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.4 | -49.3 | 173.1 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | E721 L725 I744 A747 S748 S754 L759 Q760 R761 | E721-V757 HydrophobicContact CG-CG2 4.22Å; L725-V757 HydrophobicContact CD1-CG2 4.04Å; L725-V757 HydrophobicContact CD2-CB 4.39Å; L725-V757 HydrophobicContact CD2-CG2 3.98Å; L725-V757 HydrophobicContact CG-CG2 4.41Å; I744-V757 HydrophobicContact CG2-CG1 4.46Å; A747-V757 HydrophobicContact CB-CG2 3.96Å; S748-V757 WeakPolarHBondContact OG-CG1 3.47Å; S754-V757 WeakPolarHBondContact O-CB 3.44Å; S754-V757 PolarHBondContact O-N 2.77Å; S754-V757 VanDerWaalsContact O-N 3.1Å; V757-L759 VanDerWaalsContact C-N 3.29Å; V757-L759 PolarHBondContact O-N 3.27Å; V757-Q760 PolarHBondContact O-N 3.39Å; V757-Q760 VanDerWaalsContact O-N 3.14Å; V757-R761 HydrophobicContact CG1-CG 4.48Å; V757-R761 WeakPolarHBondContact O-CG 3.39Å; V757-R761 PolarHBondContact O-N 2.97Å |
| 758 | L | 94.7 | Very high | 90.8 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | 178.2 | -66.7 | 173.8 | 0 | 0 | 0 | 112.1 | S754 R761 G762 L777 E780 A781 I784 | S754-L758 PolarHBondContact O-N 2.94Å; L758-R761 PolarHBondContact O-N 2.96Å; L758-G762 PolarHBondContact O-N 3.22Å; L758-L777 HydrophobicContact CD2-CD2 4.18Å; L758-E780 HydrophobicContact CD1-CB 4.07Å; L758-A781 HydrophobicContact CB-CB 3.75Å; L758-A781 HydrophobicContact CD1-CB 4.34Å; L758-I784 HydrophobicContact CD1-CD1 3.57Å |
| 759 | L | 95.2 | Very high | 91 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.5 | -47.6 | 173.4 | 175.7 | 62.3 | 0 | 0 | 0 | 112.1 | H755 V757 G762 R763 Y778 R790 I791 Q794 | H755-L759 WeakPolarHBondContact O-CB 3.42Å; H755-L759 PolarHBondContact O-N 3.21Å; V757-L759 VanDerWaalsContact C-N 3.29Å; V757-L759 PolarHBondContact O-N 3.27Å; L759-G762 PolarHBondContact O-N 3.5Å; L759-R763 PolarHBondContact O-N 3.01Å; L759-Y778 HydrophobicContact CD1-CD1 4.3Å; L759-Y778 HydrophobicContact CD1-CE1 3.87Å; L759-R790 HydrophobicContact CD2-CB 3.88Å; L759-I791 HydrophobicContact CB-CG1 4.29Å; L759-I791 HydrophobicContact CD1-CB 4.46Å; L759-I791 HydrophobicContact CD1-CG1 4.08Å; L759-I791 HydrophobicContact CD2-CG1 4.16Å; L759-I791 HydrophobicContact CG-CG1 4.4Å; L759-Q794 HydrophobicContact CD1-CB 4.44Å; L759-Q794 HydrophobicContact CD1-CG 4.01Å |
| 760 | Q | 94.7 | Very high | 91.5 | Very high | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.8 | -35.6 | 179 | -62.6 | -52.1 | -38.2 | 0 | 0 | 112 | L725 M732 I744 S756 V757 R763 L764 | L725-Q760 HydrophobicContact CD2-CB 4.13Å; L725-Q760 HydrophobicContact CD2-CG 3.83Å; M732-Q760 HydrophobicContact CE-CB 4.37Å; I744-Q760 HydrophobicContact CD1-CB 3.84Å; I744-Q760 HydrophobicContact CG1-CB 4.04Å; S756-Q760 WeakPolarHBondContact O-CG 3.44Å; S756-Q760 PolarHBondContact O-N 3.12Å; V757-Q760 PolarHBondContact O-N 3.39Å; V757-Q760 VanDerWaalsContact O-N 3.14Å; Q760-R763 PolarHBondContact O-N 3.36Å; Q760-L764 WeakPolarHBondContact O-CB 3.39Å; Q760-L764 PolarHBondContact O-N 3.21Å |
| 761 | R | 94 | Very high | 92.1 | Very high | 100 Ų | 100 | 46.3 Ų | 46.3 | 38% | 0.377 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 172.1 | -71.2 | -179.3 | 63.4 | -169.8 | -4.9 | 111.8 | I744 V757 L758 L764 A765 L777 | I744-R761 HydrophobicContact CG2-CB 4.42Å; I744-R761 HydrophobicContact CG2-CG 3.27Å; V757-R761 HydrophobicContact CG1-CG 4.48Å; V757-R761 WeakPolarHBondContact O-CG 3.39Å; V757-R761 PolarHBondContact O-N 2.97Å; L758-R761 PolarHBondContact O-N 2.96Å; R761-L764 PolarHBondContact O-N 2.79Å; R761-A765 PolarHBondContact O-N 2.89Å; R761-L777 HydrophobicContact CB-CD1 3.94Å; R761-L777 HydrophobicContact CB-CD2 4.39Å |
| 762 | G | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L758 L759 L764 A765 E766 A774 | L758-G762 PolarHBondContact O-N 3.22Å; L759-G762 PolarHBondContact O-N 3.5Å; G762-L764 PolarHBondContact O-N 3Å; G762-A765 PolarHBondContact O-N 2.88Å; G762-E766 PolarHBondContact O-N 3.21Å; G762-A774 WeakPolarHBondContact O-CB 3.42Å |
| 763 | R | 95 | Very high | 93.2 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 173.5 | -78.3 | -175.5 | 161.3 | -162.1 | -3.4 | 112.7 | E729 M732 L759 Q760 A765 E766 L767 Y778 Q794 | E729-R763 IonicContact OE1-NH1 2.72Å; M732-R763 HydrophobicContact CE-CB 4.39Å; M732-R763 HydrophobicContact SD-CB 4.3Å; L759-R763 PolarHBondContact O-N 3.01Å; Q760-R763 PolarHBondContact O-N 3.36Å; R763-A765 VanDerWaalsContact C-N 3.32Å; R763-A765 PolarHBondContact O-N 3.17Å; R763-E766 WeakPolarHBondContact O-CB 3.47Å; R763-E766 PolarHBondContact O-N 2.98Å; R763-L767 WeakPolarHBondContact O-CG 3.36Å; R763-L767 PolarHBondContact O-N 3.46Å; R763-Y778 WeakPolarHBondContact CG-OH 3.35Å; R763-Y778 PolarHBondContact N-OH 3.25Å; R763-Q794 HydrophobicContact CG-CG 4.43Å |
| 764 | L | 94.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 175.9 | -177.9 | 64.3 | 0 | 0 | 0 | 111.7 | M732 L737 A740 Q741 I744 Q760 R761 G762 L767 R768 | M732-L764 HydrophobicContact CG-CD1 4.13Å; M732-L764 HydrophobicContact SD-CB 3.82Å; M732-L764 HydrophobicContact SD-CD1 4.09Å; L737-L764 HydrophobicContact CB-CD1 4.13Å; L737-L764 HydrophobicContact CD2-CD1 3.99Å; A740-L764 HydrophobicContact CB-CD1 4.14Å; Q741-L764 HydrophobicContact CB-CD2 3.84Å; Q741-L764 HydrophobicContact CG-CD2 4.18Å; I744-L764 HydrophobicContact CD1-CB 4.24Å; I744-L764 HydrophobicContact CD1-CD2 4.1Å; Q760-L764 WeakPolarHBondContact O-CB 3.39Å; Q760-L764 PolarHBondContact O-N 3.21Å; R761-L764 PolarHBondContact O-N 2.79Å; G762-L764 PolarHBondContact O-N 3Å; L764-L767 PolarHBondContact O-N 3.14Å; L764-R768 WeakPolarHBondContact O-CG 3.43Å; L764-R768 PolarHBondContact O-N 2.83Å; L764-R768 VanDerWaalsContact O-N 3.15Å |
| 765 | A | 94.7 | Very high | 94 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R761 G762 R763 L767 R768 G769 Q770 E773 A774 L777 | R761-A765 PolarHBondContact O-N 2.89Å; G762-A765 PolarHBondContact O-N 2.88Å; R763-A765 VanDerWaalsContact C-N 3.32Å; R763-A765 PolarHBondContact O-N 3.17Å; A765-L767 PolarHBondContact O-N 3.42Å; A765-R768 PolarHBondContact O-N 3.23Å; A765-G769 PolarHBondContact O-N 3.29Å; A765-Q770 HydrophobicContact CB-CB 4.34Å; A765-Q770 PolarHBondContact O-N 3.01Å; A765-E773 HydrophobicContact CB-CB 4.46Å; A765-E773 HydrophobicContact CB-CG 4.42Å; A765-A774 HydrophobicContact CB-CB 4.01Å; A765-L777 HydrophobicContact CB-CD1 4.38Å |
| 766 | E | 93.7 | Very high | 94.2 | Very high | 28 Ų | 28 | 46 Ų | 46 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.4 | -47 | 171.7 | -78.8 | -165.9 | -137.2 | 0 | 0 | 112 | G762 R763 R768 G769 A774 Y778 L798 K801 | G762-E766 PolarHBondContact O-N 3.21Å; R763-E766 WeakPolarHBondContact O-CB 3.47Å; R763-E766 PolarHBondContact O-N 2.98Å; E766-R768 PolarHBondContact O-N 2.93Å; E766-G769 PolarHBondContact O-N 3.31Å; E766-A774 HydrophobicContact CB-CB 4.49Å; E766-A774 HydrophobicContact CG-CB 3.59Å; E766-Y778 WeakPolarHBondContact OE1-CE2 3.49Å; E766-Y778 PolarHBondContact OE1-OH 2.85Å; E766-L798 HydrophobicContact CG-CD1 4.15Å; E766-K801 IonicContact OE2-NZ 2.6Å |
| 767 | L | 92.9 | Very high | 94.3 | Very high | 99 Ų | 99 | 44.8 Ų | 44.8 | 52% | 0.518 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.8 | -24.9 | 179.2 | -70.4 | 172.7 | 0 | 0 | 0 | 112.7 | M732 L737 R763 L764 A765 G769 | M732-L767 HydrophobicContact CB-CD1 3.74Å; M732-L767 HydrophobicContact CG-CD1 3.9Å; M732-L767 HydrophobicContact SD-CD1 3.87Å; L737-L767 HydrophobicContact CD2-CB 4.08Å; L737-L767 HydrophobicContact CD2-CD1 4.04Å; R763-L767 WeakPolarHBondContact O-CG 3.36Å; R763-L767 PolarHBondContact O-N 3.46Å; L764-L767 PolarHBondContact O-N 3.14Å; A765-L767 PolarHBondContact O-N 3.42Å; L767-G769 VanDerWaalsContact C-N 3.34Å |
| 768 | R | 92.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 44.8 Ų | 44.8 | 36% | 0.358 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -5.8 | 173 | -69.3 | 170.9 | -177.9 | -168.2 | -6.7 | 113.8 | L737 L764 A765 E766 Q770 | L737-R768 HydrophobicContact CD1-CG 4.14Å; L737-R768 PolarHBondContact O-NH2 2.93Å; L737-R768 VanDerWaalsContact O-NH2 3.08Å; L764-R768 WeakPolarHBondContact O-CG 3.43Å; L764-R768 PolarHBondContact O-N 2.83Å; L764-R768 VanDerWaalsContact O-N 3.15Å; A765-R768 PolarHBondContact O-N 3.23Å; E766-R768 PolarHBondContact O-N 2.93Å; R768-Q770 VanDerWaalsContact C-N 3.33Å; R768-Q770 HydrophobicContact CB-CG 4.34Å |
| 769 | G | 91.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 48.3 Ų | 48.3 | 57% | 0.567 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 8.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A765 E766 L767 L771 | A765-G769 PolarHBondContact O-N 3.29Å; E766-G769 PolarHBondContact O-N 3.31Å; L767-G769 VanDerWaalsContact C-N 3.34Å; G769-L771 VanDerWaalsContact C-N 3.33Å; G769-L771 PolarHBondContact O-N 2.91Å; G769-L771 VanDerWaalsContact O-N 3.1Å |
| 770 | Q | 94.4 | Very high | 94.4 | Very high | 87 Ų | 87 | 52.8 Ų | 52.8 | 41% | 0.407 | 27% | 0.271 | S | S | . | . | trans | -86.7 | 69.3 | 179.9 | -65.5 | 170.3 | -44 | 0 | 0 | 110.5 | A765 R768 D772 E773 A774 | A765-Q770 HydrophobicContact CB-CB 4.34Å; A765-Q770 PolarHBondContact O-N 3.01Å; R768-Q770 VanDerWaalsContact C-N 3.33Å; R768-Q770 HydrophobicContact CB-CG 4.34Å; Q770-D772 PolarHBondContact O-N 3.32Å; Q770-E773 HydrophobicContact CB-CB 4.21Å; Q770-E773 PolarHBondContact O-N 3.45Å; Q770-E773 PolarHBondContact OE1-OE2 3.2Å; Q770-A774 PolarHBondContact O-N 3.08Å | ||
| 771 | L | 94.4 | Very high | 94.4 | Very high | 67 Ų | 67 | 52.4 Ų | 52.4 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65 | -34.2 | -170 | -56.4 | -176.6 | 0 | 0 | 0 | 114.2 | G769 K775 L798 T802 | G769-L771 VanDerWaalsContact C-N 3.33Å; G769-L771 PolarHBondContact O-N 2.91Å; G769-L771 VanDerWaalsContact O-N 3.1Å; L771-K775 PolarHBondContact O-N 3.42Å; L771-L798 HydrophobicContact CB-CD1 4.23Å; L771-L798 HydrophobicContact CD2-CD1 3.8Å; L771-L798 HydrophobicContact CG-CD1 4.47Å; L771-T802 HydrophobicContact CB-CG2 4.43Å; L771-T802 HydrophobicContact CD1-CG2 3.96Å |
| 772 | D | 92.8 | Very high | 94.4 | Very high | 129 Ų | 129 | 49 Ų | 49 | 69% | 0.69 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -71 | -38.1 | 178.8 | -70 | -41.3 | 0 | 0 | 0 | 112.1 | Q770 K775 A776 | Q770-D772 PolarHBondContact O-N 3.32Å; D772-K775 PolarHBondContact O-N 3.25Å; D772-A776 PolarHBondContact O-N 3.41Å; D772-A776 VanDerWaalsContact O-N 3.08Å |
| 773 | E | 94.6 | Very high | 94.4 | Very high | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 174.2 | -174 | 178.9 | 174 | 0 | 0 | 110.8 | A765 Q770 K775 A776 L777 | A765-E773 HydrophobicContact CB-CB 4.46Å; A765-E773 HydrophobicContact CB-CG 4.42Å; Q770-E773 HydrophobicContact CB-CB 4.21Å; Q770-E773 PolarHBondContact O-N 3.45Å; Q770-E773 PolarHBondContact OE1-OE2 3.2Å; E773-K775 VanDerWaalsContact C-N 3.28Å; E773-K775 PolarHBondContact O-N 3.42Å; E773-A776 PolarHBondContact O-N 3.3Å; E773-L777 HydrophobicContact CG-CD1 4.05Å; E773-L777 WeakPolarHBondContact O-CG 3.49Å; E773-L777 PolarHBondContact O-N 3.3Å |
| 774 | A | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.7 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | G762 A765 E766 Q770 L777 Y778 L798 | G762-A774 WeakPolarHBondContact O-CB 3.42Å; A765-A774 HydrophobicContact CB-CB 4.01Å; E766-A774 HydrophobicContact CB-CB 4.49Å; E766-A774 HydrophobicContact CG-CB 3.59Å; Q770-A774 PolarHBondContact O-N 3.08Å; A774-L777 PolarHBondContact O-N 3.25Å; A774-Y778 WeakPolarHBondContact O-CD2 3.36Å; A774-Y778 VanDerWaalsContact O-CG 3.3Å; A774-Y778 PolarHBondContact O-N 3.46Å; A774-L798 HydrophobicContact CB-CD2 4.1Å |
| 775 | K | 94.9 | Very high | 94.1 | Very high | 55 Ų | 55 | 57.3 Ų | 57.3 | 24% | 0.239 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 176.3 | -171.3 | -168.8 | 169.9 | -163.8 | 0 | 111.6 | L771 D772 E773 L777 Y778 D779 M795 L798 | L771-K775 PolarHBondContact O-N 3.42Å; D772-K775 PolarHBondContact O-N 3.25Å; E773-K775 VanDerWaalsContact C-N 3.28Å; E773-K775 PolarHBondContact O-N 3.42Å; K775-L777 VanDerWaalsContact C-N 3.3Å; K775-L777 PolarHBondContact O-N 3.23Å; K775-Y778 PolarHBondContact O-N 3.27Å; K775-D779 PolarHBondContact O-N 3.49Å; K775-M795 HydrophobicContact CG-CE 4.09Å; K775-M795 HydrophobicContact CG-SD 4.06Å; K775-L798 HydrophobicContact CB-CD2 3.89Å |
| 776 | A | 95.8 | Very high | 94 | Very high | 48 Ų | 48 | 61.4 Ų | 61.4 | 40% | 0.397 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D772 E773 Y778 D779 E780 | D772-A776 PolarHBondContact O-N 3.41Å; D772-A776 VanDerWaalsContact O-N 3.08Å; E773-A776 PolarHBondContact O-N 3.3Å; A776-Y778 PolarHBondContact O-N 2.91Å; A776-D779 PolarHBondContact O-N 3.46Å; A776-E780 WeakPolarHBondContact O-CG 3.49Å; A776-E780 PolarHBondContact O-N 3.32Å |
| 777 | L | 95 | Very high | 93.7 | Very high | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 177.5 | -70.6 | 166.7 | 0 | 0 | 0 | 112.7 | L758 R761 A765 E773 A774 K775 A781 | L758-L777 HydrophobicContact CD2-CD2 4.18Å; R761-L777 HydrophobicContact CB-CD1 3.94Å; R761-L777 HydrophobicContact CB-CD2 4.39Å; A765-L777 HydrophobicContact CB-CD1 4.38Å; E773-L777 HydrophobicContact CG-CD1 4.05Å; E773-L777 WeakPolarHBondContact O-CG 3.49Å; E773-L777 PolarHBondContact O-N 3.3Å; A774-L777 PolarHBondContact O-N 3.25Å; K775-L777 VanDerWaalsContact C-N 3.3Å; K775-L777 PolarHBondContact O-N 3.23Å; L777-A781 WeakPolarHBondContact O-CB 3.43Å; L777-A781 PolarHBondContact O-N 2.98Å |
| 778 | Y | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.5 | -36.4 | 173.6 | -64.5 | -27.4 | 0 | 0 | 0 | 113 | L759 R763 E766 A774 K775 A776 E780 A781 L782 Q794 M795 L798 | L759-Y778 HydrophobicContact CD1-CD1 4.3Å; L759-Y778 HydrophobicContact CD1-CE1 3.87Å; R763-Y778 WeakPolarHBondContact CG-OH 3.35Å; R763-Y778 PolarHBondContact N-OH 3.25Å; E766-Y778 WeakPolarHBondContact OE1-CE2 3.49Å; E766-Y778 PolarHBondContact OE1-OH 2.85Å; A774-Y778 WeakPolarHBondContact O-CD2 3.36Å; A774-Y778 VanDerWaalsContact O-CG 3.3Å; A774-Y778 PolarHBondContact O-N 3.46Å; K775-Y778 PolarHBondContact O-N 3.27Å; A776-Y778 PolarHBondContact O-N 2.91Å; Y778-E780 VanDerWaalsContact C-N 3.32Å; Y778-A781 PolarHBondContact O-N 2.64Å; Y778-L782 WeakPolarHBondContact O-CB 3.35Å; Y778-L782 WeakPolarHBondContact O-CG 3.38Å; Y778-L782 PolarHBondContact O-N 3.42Å; Y778-Q794 HydrophobicContact CE1-CB 4.23Å; Y778-Q794 HydrophobicContact CE2-CB 3.83Å; Y778-M795 VanDerWaalsContact CB-CE 3.47Å; Y778-M795 HydrophobicContact CD2-CB 4.34Å; Y778-M795 HydrophobicContact CD2-SD 4.43Å; Y778-L798 HydrophobicContact CD2-CD2 3.9Å; Y778-L798 HydrophobicContact CE2-CD2 3.91Å |
| 779 | D | 95 | Very high | 93.5 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 172.9 | -78.7 | -35.5 | 0 | 0 | 0 | 110.2 | K775 A776 L782 A783 M795 | K775-D779 PolarHBondContact O-N 3.49Å; A776-D779 PolarHBondContact O-N 3.46Å; D779-L782 PolarHBondContact O-N 3.41Å; D779-A783 WeakPolarHBondContact O-CB 3.5Å; D779-A783 PolarHBondContact O-N 3.02Å; D779-M795 HydrophobicContact CB-CE 4.36Å; D779-M795 WeakPolarHBondContact OD1-CE 3.42Å |
| 780 | E | 94.8 | Very high | 93.5 | Very high | 102 Ų | 102 | 59 Ų | 59 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 172.4 | -71.8 | 177.4 | -169.4 | 0 | 0 | 112 | L758 A776 Y778 L782 A783 I784 | L758-E780 HydrophobicContact CD1-CB 4.07Å; A776-E780 WeakPolarHBondContact O-CG 3.49Å; A776-E780 PolarHBondContact O-N 3.32Å; Y778-E780 VanDerWaalsContact C-N 3.32Å; E780-L782 VanDerWaalsContact C-N 3.35Å; E780-L782 PolarHBondContact O-N 3.47Å; E780-A783 WeakPolarHBondContact O-CB 3.44Å; E780-A783 PolarHBondContact O-N 3.25Å; E780-I784 WeakPolarHBondContact O-CG1 3.48Å; E780-I784 PolarHBondContact O-N 2.72Å |
| 781 | A | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L758 L777 Y778 I784 H785 I791 | L758-A781 HydrophobicContact CB-CB 3.75Å; L758-A781 HydrophobicContact CD1-CB 4.34Å; L777-A781 WeakPolarHBondContact O-CB 3.43Å; L777-A781 PolarHBondContact O-N 2.98Å; Y778-A781 PolarHBondContact O-N 2.64Å; A781-I784 PolarHBondContact O-N 3.35Å; A781-H785 PolarHBondContact O-N 3.06Å; A781-I791 HydrophobicContact CB-CD1 3.87Å; A781-I791 HydrophobicContact CB-CG1 4.42Å; A781-I791 HydrophobicContact CB-CG2 3.92Å |
| 782 | L | 94.6 | Very high | 93.6 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.2 | -31 | 174.3 | -72.1 | 174.2 | 0 | 0 | 0 | 112.5 | Y778 D779 E780 I784 H785 P786 I791 L792 M795 | Y778-L782 WeakPolarHBondContact O-CB 3.35Å; Y778-L782 WeakPolarHBondContact O-CG 3.38Å; Y778-L782 PolarHBondContact O-N 3.42Å; D779-L782 PolarHBondContact O-N 3.41Å; E780-L782 VanDerWaalsContact C-N 3.35Å; E780-L782 PolarHBondContact O-N 3.47Å; L782-I784 PolarHBondContact O-N 3.1Å; L782-H785 CarbonylContact O-C 3.45Å; L782-H785 VanDerWaalsContact O-C 3.29Å; L782-P786 WeakPolarHBondContact O-CA 3.48Å; L782-P786 WeakPolarHBondContact O-CD 3.47Å; L782-P786 WeakPolarHBondContact O-CG 3.42Å; L782-I791 HydrophobicContact CD1-CG2 4.41Å; L782-I791 HydrophobicContact CD2-CB 3.89Å; L782-I791 HydrophobicContact CD2-CG2 3.67Å; L782-I791 HydrophobicContact CG-CB 4.39Å; L782-I791 HydrophobicContact CG-CG2 3.6Å; L782-L792 HydrophobicContact CD1-CD2 4.14Å; L782-L792 HydrophobicContact CD2-CD2 3.58Å; L782-L792 HydrophobicContact CD2-CG 3.84Å; L782-M795 HydrophobicContact CD1-CB 4.4Å; L782-M795 HydrophobicContact CD1-CE 4.37Å; L782-M795 HydrophobicContact CD1-CG 4.32Å |
| 783 | A | 94.5 | Very high | 93.8 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 69% | 0.686 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.5 | -34 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D779 E780 | D779-A783 WeakPolarHBondContact O-CB 3.5Å; D779-A783 PolarHBondContact O-N 3.02Å; E780-A783 WeakPolarHBondContact O-CB 3.44Å; E780-A783 PolarHBondContact O-N 3.25Å |
| 784 | I | 92.8 | Very high | 93.8 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 41% | 0.405 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -81 | -43.8 | 176 | -59.8 | 179.4 | 0 | 0 | 0 | 111.4 | N753 H755 L758 E780 A781 L782 | N753-I784 HydrophobicContact CB-CD1 4.3Å; N753-I784 VanDerWaalsContact O-CD1 3.24Å; N753-I784 WeakPolarHBondContact O-CD1 3.22Å; H755-I784 HydrophobicContact CB-CB 4.39Å; H755-I784 HydrophobicContact CB-CG2 4.2Å; L758-I784 HydrophobicContact CD1-CD1 3.57Å; E780-I784 WeakPolarHBondContact O-CG1 3.48Å; E780-I784 PolarHBondContact O-N 2.72Å; A781-I784 PolarHBondContact O-N 3.35Å; L782-I784 PolarHBondContact O-N 3.1Å |
| 785 | H | 91.2 | Very high | 93.8 | Very high | 64 Ų | 64 | 43 Ų | 43 | 30% | 0.296 | 24% | 0.239 | S | C | . | . | trans | -130 | 85.5 | -179.9 | -169.9 | 45 | 0 | 0 | 0 | 111.8 | H755 A781 L782 T787 G788 I791 | H755-H785 HydrophobicContact CB-CB 3.89Å; A781-H785 PolarHBondContact O-N 3.06Å; L782-H785 CarbonylContact O-C 3.45Å; L782-H785 VanDerWaalsContact O-C 3.29Å; H785-T787 PolarHBondContact CE1-OG1 3.41Å; H785-T787 PolarHBondContact O-N 2.86Å; H785-T787 VanDerWaalsContact O-N 3.16Å; H785-G788 WeakPolarHBondContact CD2-CA 3.49Å; H785-G788 PolarHBondContact CD2-N 3.41Å; H785-G788 WeakPolarHBondContact NE2-CA 3.5Å; H785-G788 PolarHBondContact O-N 3.14Å; H785-G788 VanDerWaalsContact O-N 3.08Å; H785-I791 HydrophobicContact CB-CD1 4.49Å | ||
| 786 | P | 91.3 | Very high | 93.8 | Very high | 90 Ų | 90 | 40.4 Ų | 40.4 | 58% | 0.584 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.8 | -174.4 | -25.6 | 34.5 | 0 | 0 | 0 | 114.5 | L782 | L782-P786 WeakPolarHBondContact O-CA 3.48Å; L782-P786 WeakPolarHBondContact O-CD 3.47Å; L782-P786 WeakPolarHBondContact O-CG 3.42Å |
| 787 | T | 88.2 | Confident | 93.8 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 48% | 0.479 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 20.4 | -179.6 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | H785 E789 V818 | H785-T787 PolarHBondContact CE1-OG1 3.41Å; H785-T787 PolarHBondContact O-N 2.86Å; H785-T787 VanDerWaalsContact O-N 3.16Å; T787-E789 PolarHBondContact O-N 3.07Å; T787-E789 VanDerWaalsContact O-N 3.08Å; T787-V818 WeakPolarHBondContact O-CG1 3.32Å |
| 788 | G | 89.7 | Confident | 93.8 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | trans | -73.3 | 98.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H785 R790 I791 L792 | H785-G788 WeakPolarHBondContact CD2-CA 3.49Å; H785-G788 PolarHBondContact CD2-N 3.41Å; H785-G788 WeakPolarHBondContact NE2-CA 3.5Å; H785-G788 PolarHBondContact O-N 3.14Å; H785-G788 VanDerWaalsContact O-N 3.08Å; G788-R790 PolarHBondContact O-N 3.04Å; G788-I791 WeakPolarHBondContact O-CB 3.26Å; G788-I791 PolarHBondContact O-N 3.33Å; G788-L792 WeakPolarHBondContact O-CG 3.08Å; G788-L792 PolarHBondContact O-N 2.84Å | ||
| 789 | E | 91.3 | Very high | 93.8 | Very high | 53 Ų | 53 | 40.7 Ų | 40.7 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -48.5 | -56.4 | -178.9 | -178.6 | -154.3 | 152.5 | 0 | 0 | 112.7 | T787 I791 L792 V793 H819 S822 | T787-E789 PolarHBondContact O-N 3.07Å; T787-E789 VanDerWaalsContact O-N 3.08Å; E789-I791 PolarHBondContact O-N 2.77Å; E789-L792 PolarHBondContact O-N 3.25Å; E789-V793 WeakPolarHBondContact O-CG2 3.32Å; E789-V793 PolarHBondContact O-N 3.05Å; E789-H819 HydrophobicContact CB-CB 4.31Å; E789-H819 HydrophobicContact CG-CB 3.77Å; E789-H819 IonicContact OE1-CD2 3.84Å; E789-H819 WeakPolarHBondContact OE2-CB 3.39Å; E789-H819 IonicContact OE2-CD2 2.63Å; E789-H819 PolarHBondContact OE2-CD2 3.14Å; E789-H819 IonicContact OE2-CG 2.67Å; E789-H819 VanDerWaalsContact OE2-CG 3.32Å; E789-S822 WeakPolarHBondContact OE1-CB 3.36Å; E789-S822 PolarHBondContact OE1-OG 3.35Å |
| 790 | R | 92.7 | Very high | 93.7 | Very high | 91 Ų | 91 | 37.9 Ų | 37.9 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.3 | -35 | -178.1 | -64.8 | -175.5 | 91.6 | -170.3 | 0.6 | 111.7 | E729 L759 G788 Q794 | E729-R790 IonicContact OE1-CZ 3.32Å; E729-R790 IonicContact OE1-NH1 3.15Å; E729-R790 IonicContact OE1-NH2 3.61Å; E729-R790 PolarHBondContact OE1-NH2 3.08Å; L759-R790 HydrophobicContact CD2-CB 3.88Å; G788-R790 PolarHBondContact O-N 3.04Å; R790-Q794 WeakPolarHBondContact O-CG 3.35Å; R790-Q794 PolarHBondContact O-N 3.37Å; R790-Q794 VanDerWaalsContact O-N 3.11Å |
| 791 | I | 95.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.4 | -46.3 | 179.8 | -50.1 | 166.8 | 0 | 0 | 0 | 110.2 | H755 L759 A781 L782 H785 G788 E789 V793 Q794 M795 | H755-I791 HydrophobicContact CB-CD1 4.19Å; L759-I791 HydrophobicContact CB-CG1 4.29Å; L759-I791 HydrophobicContact CD1-CB 4.46Å; L759-I791 HydrophobicContact CD1-CG1 4.08Å; L759-I791 HydrophobicContact CD2-CG1 4.16Å; L759-I791 HydrophobicContact CG-CG1 4.4Å; A781-I791 HydrophobicContact CB-CD1 3.87Å; A781-I791 HydrophobicContact CB-CG1 4.42Å; A781-I791 HydrophobicContact CB-CG2 3.92Å; L782-I791 HydrophobicContact CD1-CG2 4.41Å; L782-I791 HydrophobicContact CD2-CB 3.89Å; L782-I791 HydrophobicContact CD2-CG2 3.67Å; L782-I791 HydrophobicContact CG-CB 4.39Å; L782-I791 HydrophobicContact CG-CG2 3.6Å; H785-I791 HydrophobicContact CB-CD1 4.49Å; G788-I791 WeakPolarHBondContact O-CB 3.26Å; G788-I791 PolarHBondContact O-N 3.33Å; E789-I791 PolarHBondContact O-N 2.77Å; I791-V793 VanDerWaalsContact C-N 3.31Å; I791-V793 PolarHBondContact O-N 2.8Å; I791-Q794 PolarHBondContact O-N 2.96Å; I791-M795 WeakPolarHBondContact O-CB 3.4Å; I791-M795 PolarHBondContact O-N 3.01Å |
| 792 | L | 95.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.068 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 176.3 | -67.4 | 168.5 | 0 | 0 | 0 | 111.3 | L782 G788 E789 G796 V811 A815 V818 | L782-L792 HydrophobicContact CD1-CD2 4.14Å; L782-L792 HydrophobicContact CD2-CD2 3.58Å; L782-L792 HydrophobicContact CD2-CG 3.84Å; G788-L792 WeakPolarHBondContact O-CG 3.08Å; G788-L792 PolarHBondContact O-N 2.84Å; E789-L792 PolarHBondContact O-N 3.25Å; L792-G796 PolarHBondContact O-N 3Å; L792-V811 HydrophobicContact CB-CG1 4.17Å; L792-V811 HydrophobicContact CD2-CG1 3.89Å; L792-V811 VanDerWaalsContact O-CG1 3.27Å; L792-V811 WeakPolarHBondContact O-CG1 3.37Å; L792-A815 HydrophobicContact CB-CB 3.72Å; L792-A815 HydrophobicContact CD1-CB 4.36Å; L792-V818 HydrophobicContact CD1-CG2 4.16Å |
| 793 | V | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | E789 I791 G796 R797 A815 E824 A825 | E789-V793 WeakPolarHBondContact O-CG2 3.32Å; E789-V793 PolarHBondContact O-N 3.05Å; I791-V793 VanDerWaalsContact C-N 3.31Å; I791-V793 PolarHBondContact O-N 2.8Å; V793-G796 PolarHBondContact O-N 3.3Å; V793-R797 WeakPolarHBondContact O-CB 3.36Å; V793-R797 WeakPolarHBondContact O-CG 3.33Å; V793-R797 PolarHBondContact O-N 3.49Å; V793-A815 HydrophobicContact CG2-CB 4.02Å; V793-E824 HydrophobicContact CG1-CB 4.15Å; V793-A825 HydrophobicContact CG2-CB 3.61Å |
| 794 | Q | 95.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 178.6 | -65.1 | -44 | -60.5 | 0 | 0 | 112 | L759 R763 Y778 R790 I791 G796 R797 L798 | L759-Q794 HydrophobicContact CD1-CB 4.44Å; L759-Q794 HydrophobicContact CD1-CG 4.01Å; R763-Q794 HydrophobicContact CG-CG 4.43Å; Y778-Q794 HydrophobicContact CE1-CB 4.23Å; Y778-Q794 HydrophobicContact CE2-CB 3.83Å; R790-Q794 WeakPolarHBondContact O-CG 3.35Å; R790-Q794 PolarHBondContact O-N 3.37Å; R790-Q794 VanDerWaalsContact O-N 3.11Å; I791-Q794 PolarHBondContact O-N 2.96Å; Q794-G796 VanDerWaalsContact C-N 3.35Å; Q794-G796 PolarHBondContact O-N 3.35Å; Q794-R797 PolarHBondContact O-N 2.89Å; Q794-L798 WeakPolarHBondContact O-CB 3.15Å; Q794-L798 PolarHBondContact O-N 3.45Å |
| 795 | M | 95.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 175.7 | 177.7 | 61.9 | 93.5 | 0 | 0 | 111.5 | K775 Y778 D779 L782 I791 R797 L798 L799 V811 | K775-M795 HydrophobicContact CG-CE 4.09Å; K775-M795 HydrophobicContact CG-SD 4.06Å; Y778-M795 VanDerWaalsContact CB-CE 3.47Å; Y778-M795 HydrophobicContact CD2-CB 4.34Å; Y778-M795 HydrophobicContact CD2-SD 4.43Å; D779-M795 HydrophobicContact CB-CE 4.36Å; D779-M795 WeakPolarHBondContact OD1-CE 3.42Å; L782-M795 HydrophobicContact CD1-CB 4.4Å; L782-M795 HydrophobicContact CD1-CE 4.37Å; L782-M795 HydrophobicContact CD1-CG 4.32Å; I791-M795 WeakPolarHBondContact O-CB 3.4Å; I791-M795 PolarHBondContact O-N 3.01Å; M795-R797 PolarHBondContact O-N 3.19Å; M795-L798 PolarHBondContact O-N 3.02Å; M795-L799 HydrophobicContact CG-CD1 4.05Å; M795-L799 HydrophobicContact CG-CG 4.47Å; M795-L799 WeakPolarHBondContact O-CB 3.38Å; M795-L799 VanDerWaalsContact O-CG 3.29Å; M795-L799 WeakPolarHBondContact O-CG 3.46Å; M795-L799 PolarHBondContact O-N 3.44Å; M795-L799 HydrophobicContact SD-CD1 4.26Å; M795-L799 HydrophobicContact SD-CG 4.18Å; M795-V811 HydrophobicContact CB-CG1 4.34Å; M795-V811 HydrophobicContact CG-CG1 4.27Å |
| 796 | G | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L792 V793 Q794 L799 V800 | L792-G796 PolarHBondContact O-N 3Å; V793-G796 PolarHBondContact O-N 3.3Å; Q794-G796 VanDerWaalsContact C-N 3.35Å; Q794-G796 PolarHBondContact O-N 3.35Å; G796-L799 PolarHBondContact O-N 2.9Å; G796-V800 WeakPolarHBondContact O-CG2 3.33Å; G796-V800 PolarHBondContact O-N 3.09Å |
| 797 | R | 95.3 | Very high | 93.6 | Very high | 50 Ų | 50 | 45.3 Ų | 45.3 | 19% | 0.189 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 175.6 | -73 | 178.8 | 179.1 | -172.8 | 0.5 | 112.1 | V793 Q794 M795 L799 V800 K801 E824 | V793-R797 WeakPolarHBondContact O-CB 3.36Å; V793-R797 WeakPolarHBondContact O-CG 3.33Å; V793-R797 PolarHBondContact O-N 3.49Å; Q794-R797 PolarHBondContact O-N 2.89Å; M795-R797 PolarHBondContact O-N 3.19Å; R797-L799 VanDerWaalsContact C-N 3.33Å; R797-L799 PolarHBondContact O-N 3.17Å; R797-V800 PolarHBondContact O-N 3.24Å; R797-K801 WeakPolarHBondContact O-CB 2.78Å; R797-K801 VanDerWaalsContact O-CG 3.3Å; R797-K801 WeakPolarHBondContact O-CG 3.13Å; R797-K801 PolarHBondContact O-N 3.47Å; R797-E824 PolarHBondContact NH2-O 3.23Å |
| 798 | L | 95 | Very high | 94 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 176.1 | -178.6 | 64.6 | 0 | 0 | 0 | 111.8 | E766 L771 A774 K775 Y778 Q794 M795 K801 T802 | E766-L798 HydrophobicContact CG-CD1 4.15Å; L771-L798 HydrophobicContact CB-CD1 4.23Å; L771-L798 HydrophobicContact CD2-CD1 3.8Å; L771-L798 HydrophobicContact CG-CD1 4.47Å; A774-L798 HydrophobicContact CB-CD2 4.1Å; K775-L798 HydrophobicContact CB-CD2 3.89Å; Y778-L798 HydrophobicContact CD2-CD2 3.9Å; Y778-L798 HydrophobicContact CE2-CD2 3.91Å; Q794-L798 WeakPolarHBondContact O-CB 3.15Å; Q794-L798 PolarHBondContact O-N 3.45Å; M795-L798 PolarHBondContact O-N 3.02Å; L798-K801 PolarHBondContact O-N 3.38Å; L798-T802 HydrophobicContact CD1-CG2 4.36Å; L798-T802 WeakPolarHBondContact O-CB 3.36Å; L798-T802 WeakPolarHBondContact O-CG2 3.36Å; L798-T802 PolarHBondContact O-N 2.92Å; L798-T802 PolarHBondContact O-OG1 2.96Å |
| 799 | L | 95.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.5 | -72.3 | 171 | 0 | 0 | 0 | 112.3 | M795 G796 R797 T802 G803 R804 L807 V811 | M795-L799 HydrophobicContact CG-CD1 4.05Å; M795-L799 HydrophobicContact CG-CG 4.47Å; M795-L799 WeakPolarHBondContact O-CB 3.38Å; M795-L799 VanDerWaalsContact O-CG 3.29Å; M795-L799 WeakPolarHBondContact O-CG 3.46Å; M795-L799 PolarHBondContact O-N 3.44Å; M795-L799 HydrophobicContact SD-CD1 4.26Å; M795-L799 HydrophobicContact SD-CG 4.18Å; G796-L799 PolarHBondContact O-N 2.9Å; R797-L799 VanDerWaalsContact C-N 3.33Å; R797-L799 PolarHBondContact O-N 3.17Å; L799-T802 WeakPolarHBondContact CA-OG1 3.39Å; L799-T802 PolarHBondContact O-N 3.46Å; L799-T802 PolarHBondContact O-OG1 3Å; L799-G803 PolarHBondContact O-N 3.42Å; L799-R804 HydrophobicContact CB-CB 4.44Å; L799-R804 HydrophobicContact CD2-CB 4.16Å; L799-R804 CarbonylContact O-C 3.58Å; L799-R804 WeakPolarHBondContact O-CA 3.29Å; L799-R804 PolarHBondContact O-N 3.36Å; L799-L807 HydrophobicContact CD1-CB 4.15Å; L799-V811 HydrophobicContact CD1-CG2 4.02Å |
| 800 | V | 94.1 | Very high | 94.4 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -47.6 | 173.9 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | G796 R797 T802 G803 L812 A832 | G796-V800 WeakPolarHBondContact O-CG2 3.33Å; G796-V800 PolarHBondContact O-N 3.09Å; R797-V800 PolarHBondContact O-N 3.24Å; V800-T802 VanDerWaalsContact C-N 3.28Å; V800-T802 PolarHBondContact O-N 2.67Å; V800-G803 PolarHBondContact O-N 3Å; V800-L812 HydrophobicContact CG2-CD1 4.31Å; V800-A832 HydrophobicContact CG2-CB 3.62Å |
| 801 | K | 90.8 | Very high | 94.6 | Very high | 142 Ų | 142 | 43.2 Ų | 43.2 | 62% | 0.617 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -59.2 | -36 | 177.1 | -73 | 175.3 | -175.9 | 176.6 | 0 | 113.1 | E766 R797 L798 G803 | E766-K801 IonicContact OE2-NZ 2.6Å; R797-K801 WeakPolarHBondContact O-CB 2.78Å; R797-K801 VanDerWaalsContact O-CG 3.3Å; R797-K801 WeakPolarHBondContact O-CG 3.13Å; R797-K801 PolarHBondContact O-N 3.47Å; L798-K801 PolarHBondContact O-N 3.38Å; K801-G803 PolarHBondContact O-N 2.86Å |
| 802 | T | 92.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 43 Ų | 43 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 8.7 | 177.9 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | L771 L798 L799 V800 R804 | L771-T802 HydrophobicContact CB-CG2 4.43Å; L771-T802 HydrophobicContact CD1-CG2 3.96Å; L798-T802 HydrophobicContact CD1-CG2 4.36Å; L798-T802 WeakPolarHBondContact O-CB 3.36Å; L798-T802 WeakPolarHBondContact O-CG2 3.36Å; L798-T802 PolarHBondContact O-N 2.92Å; L798-T802 PolarHBondContact O-OG1 2.96Å; L799-T802 WeakPolarHBondContact CA-OG1 3.39Å; L799-T802 PolarHBondContact O-N 3.46Å; L799-T802 PolarHBondContact O-OG1 3Å; V800-T802 VanDerWaalsContact C-N 3.28Å; V800-T802 PolarHBondContact O-N 2.67Å; T802-R804 VanDerWaalsContact C-N 3.32Å; T802-R804 PolarHBondContact O-N 2.99Å |
| 803 | G | 91 | Very high | 94.5 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 59% | 0.588 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82 | -0.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L799 V800 K801 V805 | L799-G803 PolarHBondContact O-N 3.42Å; V800-G803 PolarHBondContact O-N 3Å; K801-G803 PolarHBondContact O-N 2.86Å; G803-V805 PolarHBondContact O-N 3.47Å |
| 804 | R | 94.4 | Very high | 94.3 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 39% | 0.389 | 25% | 0.246 | S | C | . | . | trans | -85.8 | 53.5 | 176.5 | -70 | -172.1 | -93.5 | -152.5 | -9.5 | 111.5 | L799 T802 H806 L807 G808 | L799-R804 HydrophobicContact CB-CB 4.44Å; L799-R804 HydrophobicContact CD2-CB 4.16Å; L799-R804 CarbonylContact O-C 3.58Å; L799-R804 WeakPolarHBondContact O-CA 3.29Å; L799-R804 PolarHBondContact O-N 3.36Å; T802-R804 VanDerWaalsContact C-N 3.32Å; T802-R804 PolarHBondContact O-N 2.99Å; R804-H806 PolarHBondContact O-N 3.36Å; R804-L807 PolarHBondContact O-N 2.96Å; R804-L807 VanDerWaalsContact O-N 3.16Å; R804-G808 PolarHBondContact O-N 3.47Å | ||
| 805 | V | 94.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 48.9 Ų | 48.9 | 15% | 0.152 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -41.3 | -168 | -171.8 | 0 | 0 | 0 | 0 | 113.4 | G803 L807 G808 E809 A832 A835 R836 | G803-V805 PolarHBondContact O-N 3.47Å; V805-L807 PolarHBondContact O-N 3.11Å; V805-G808 PolarHBondContact O-N 2.94Å; V805-E809 PolarHBondContact O-N 2.93Å; V805-A832 HydrophobicContact CG1-CB 4.46Å; V805-A832 WeakPolarHBondContact CG1-O 3.41Å; V805-A835 HydrophobicContact CG1-CB 4.01Å; V805-A835 HydrophobicContact CG2-CB 4.26Å; V805-R836 HydrophobicContact CG1-CG 3.68Å |
| 806 | H | 93.9 | Very high | 94 | Very high | 126 Ų | 126 | 49.5 Ų | 49.5 | 58% | 0.583 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.4 | -39.6 | 179.2 | -67 | -64.8 | 0 | 0 | 0 | 113.7 | R804 K810 R836 | R804-H806 PolarHBondContact O-N 3.36Å; H806-K810 PolarHBondContact O-N 3.32Å; H806-R836 PolarHBondContact CE1-NE 3.19Å; H806-R836 PolarHBondContact ND1-NH1 3.13Å |
| 807 | L | 94.6 | Very high | 93.8 | Very high | 98 Ų | 98 | 55.1 Ų | 55.1 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71 | -41.5 | 176.1 | -68.9 | 174.3 | 0 | 0 | 0 | 110.2 | L799 R804 V805 E809 K810 V811 | L799-L807 HydrophobicContact CD1-CB 4.15Å; R804-L807 PolarHBondContact O-N 2.96Å; R804-L807 VanDerWaalsContact O-N 3.16Å; V805-L807 PolarHBondContact O-N 3.11Å; L807-E809 PolarHBondContact O-N 2.99Å; L807-K810 PolarHBondContact O-N 2.91Å; L807-V811 WeakPolarHBondContact O-CG2 3.41Å; L807-V811 PolarHBondContact O-N 3.42Å |
| 808 | G | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R804 V805 K810 V811 L812 | R804-G808 PolarHBondContact O-N 3.47Å; V805-G808 PolarHBondContact O-N 2.94Å; G808-K810 VanDerWaalsContact C-N 3.34Å; G808-K810 PolarHBondContact O-N 2.92Å; G808-V811 PolarHBondContact O-N 3.48Å; G808-L812 WeakPolarHBondContact O-CB 3.22Å; G808-L812 WeakPolarHBondContact O-CD1 3.37Å; G808-L812 VanDerWaalsContact O-CG 3.26Å; G808-L812 WeakPolarHBondContact O-CG 3.44Å; G808-L812 PolarHBondContact O-N 3.05Å |
| 809 | E | 95.6 | Very high | 93 | Very high | 17 Ų | 17 | 57.9 Ų | 57.9 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58 | -44.8 | 175.7 | -172.6 | -167.4 | 151.2 | 0 | 0 | 111.7 | V805 L807 L812 R813 L829 A832 L833 R836 | V805-E809 PolarHBondContact O-N 2.93Å; L807-E809 PolarHBondContact O-N 2.99Å; E809-L812 PolarHBondContact O-N 3.17Å; E809-R813 WeakPolarHBondContact O-CG 3.39Å; E809-R813 PolarHBondContact O-N 3.38Å; E809-R813 IonicContact OE1-CZ 2.72Å; E809-R813 VanDerWaalsContact OE1-CZ 3.29Å; E809-R813 IonicContact OE1-NE 2.7Å; E809-R813 PolarHBondContact OE1-NE 3.03Å; E809-R813 IonicContact OE1-NH2 2.82Å; E809-R813 PolarHBondContact OE1-NH2 2.74Å; E809-L829 HydrophobicContact CG-CD1 3.67Å; E809-A832 HydrophobicContact CB-CB 4.13Å; E809-L833 HydrophobicContact CG-CD2 4.29Å; E809-R836 IonicContact OE1-NH1 3.44Å; E809-R836 WeakPolarHBondContact OE2-CD 3.31Å; E809-R836 IonicContact OE2-CZ 3.99Å; E809-R836 IonicContact OE2-NE 3.35Å; E809-R836 IonicContact OE2-NH1 3.29Å; E809-R836 PolarHBondContact OE2-NH1 3.27Å |
| 810 | K | 95.3 | Very high | 92.6 | Very high | 138 Ų | 138 | 59.3 Ų | 59.3 | 60% | 0.6 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.3 | -50.1 | 178.2 | -175.1 | -175.9 | 173.7 | -173.7 | 0 | 111.1 | H806 L807 G808 L812 R813 D814 | H806-K810 PolarHBondContact O-N 3.32Å; L807-K810 PolarHBondContact O-N 2.91Å; G808-K810 VanDerWaalsContact C-N 3.34Å; G808-K810 PolarHBondContact O-N 2.92Å; K810-L812 VanDerWaalsContact C-N 3.28Å; K810-L812 PolarHBondContact O-N 3.41Å; K810-R813 PolarHBondContact O-N 3.17Å; K810-D814 VanDerWaalsContact O-CG 3.31Å; K810-D814 PolarHBondContact O-N 2.97Å |
| 811 | V | 95.3 | Very high | 92.4 | Very high | 26 Ų | 26 | 59.6 Ų | 59.6 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | 178.6 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | L792 M795 L799 L807 G808 D814 A815 | L792-V811 HydrophobicContact CB-CG1 4.17Å; L792-V811 HydrophobicContact CD2-CG1 3.89Å; L792-V811 VanDerWaalsContact O-CG1 3.27Å; L792-V811 WeakPolarHBondContact O-CG1 3.37Å; M795-V811 HydrophobicContact CB-CG1 4.34Å; M795-V811 HydrophobicContact CG-CG1 4.27Å; L799-V811 HydrophobicContact CD1-CG2 4.02Å; L807-V811 WeakPolarHBondContact O-CG2 3.41Å; L807-V811 PolarHBondContact O-N 3.42Å; G808-V811 PolarHBondContact O-N 3.48Å; V811-D814 WeakPolarHBondContact O-CB 3.23Å; V811-D814 PolarHBondContact O-N 3.45Å; V811-A815 PolarHBondContact O-N 3.3Å |
| 812 | L | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.3 | -35.6 | 176.9 | -72.3 | 159.8 | 0 | 0 | 0 | 112.6 | V800 G808 E809 K810 D814 A815 V816 G828 L829 A832 | V800-L812 HydrophobicContact CG2-CD1 4.31Å; G808-L812 WeakPolarHBondContact O-CB 3.22Å; G808-L812 WeakPolarHBondContact O-CD1 3.37Å; G808-L812 VanDerWaalsContact O-CG 3.26Å; G808-L812 WeakPolarHBondContact O-CG 3.44Å; G808-L812 PolarHBondContact O-N 3.05Å; E809-L812 PolarHBondContact O-N 3.17Å; K810-L812 VanDerWaalsContact C-N 3.28Å; K810-L812 PolarHBondContact O-N 3.41Å; L812-D814 VanDerWaalsContact C-N 3.33Å; L812-A815 WeakPolarHBondContact O-CB 3.4Å; L812-A815 PolarHBondContact O-N 3.05Å; L812-V816 WeakPolarHBondContact O-CG2 3.42Å; L812-V816 PolarHBondContact O-N 2.9Å; L812-G828 VanDerWaalsContact CD1-C 3.44Å; L812-G828 VanDerWaalsContact CD1-O 3.23Å; L812-G828 WeakPolarHBondContact CD1-O 3.24Å; L812-L829 HydrophobicContact CB-CB 4.2Å; L812-L829 HydrophobicContact CB-CD1 4.17Å; L812-A832 HydrophobicContact CD1-CB 3.87Å |
| 813 | R | 94 | Very high | 92.5 | Very high | 92 Ų | 92 | 52.7 Ų | 52.7 | 35% | 0.347 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 170.7 | -73 | -175.8 | -175 | -81 | 1.2 | 111.3 | E809 K810 A815 V816 Q817 L829 | E809-R813 WeakPolarHBondContact O-CG 3.39Å; E809-R813 PolarHBondContact O-N 3.38Å; E809-R813 IonicContact OE1-CZ 2.72Å; E809-R813 VanDerWaalsContact OE1-CZ 3.29Å; E809-R813 IonicContact OE1-NE 2.7Å; E809-R813 PolarHBondContact OE1-NE 3.03Å; E809-R813 IonicContact OE1-NH2 2.82Å; E809-R813 PolarHBondContact OE1-NH2 2.74Å; K810-R813 PolarHBondContact O-N 3.17Å; R813-A815 VanDerWaalsContact C-N 3.32Å; R813-V816 PolarHBondContact O-N 2.87Å; R813-Q817 WeakPolarHBondContact O-CG 3.04Å; R813-Q817 PolarHBondContact O-N 3.12Å; R813-L829 HydrophobicContact CG-CD1 3.79Å; R813-L829 HydrophobicContact CG-CD2 4.22Å |
| 814 | D | 92.4 | Very high | 92.6 | Very high | 61 Ų | 61 | 52.7 Ų | 52.7 | 33% | 0.326 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 173.9 | -62.9 | -18.7 | 0 | 0 | 0 | 110.4 | K810 V811 L812 V816 Q817 V818 | K810-D814 VanDerWaalsContact O-CG 3.31Å; K810-D814 PolarHBondContact O-N 2.97Å; V811-D814 WeakPolarHBondContact O-CB 3.23Å; V811-D814 PolarHBondContact O-N 3.45Å; L812-D814 VanDerWaalsContact C-N 3.33Å; D814-V816 PolarHBondContact O-N 3.43Å; D814-Q817 PolarHBondContact O-N 3.3Å; D814-V818 WeakPolarHBondContact O-CG2 3.28Å; D814-V818 PolarHBondContact O-N 3.48Å |
| 815 | A | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L792 V793 V811 L812 R813 V818 H819 A825 | L792-A815 HydrophobicContact CB-CB 3.72Å; L792-A815 HydrophobicContact CD1-CB 4.36Å; V793-A815 HydrophobicContact CG2-CB 4.02Å; V811-A815 PolarHBondContact O-N 3.3Å; L812-A815 WeakPolarHBondContact O-CB 3.4Å; L812-A815 PolarHBondContact O-N 3.05Å; R813-A815 VanDerWaalsContact C-N 3.32Å; A815-V818 PolarHBondContact O-N 3.37Å; A815-H819 PolarHBondContact O-N 3.21Å; A815-A825 HydrophobicContact CB-CB 4.02Å |
| 816 | V | 92.4 | Very high | 92.7 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | L812 R813 D814 H819 S820 A825 W826 L829 | L812-V816 WeakPolarHBondContact O-CG2 3.42Å; L812-V816 PolarHBondContact O-N 2.9Å; R813-V816 PolarHBondContact O-N 2.87Å; D814-V816 PolarHBondContact O-N 3.43Å; V816-H819 CarbonylContact O-C 3.5Å; V816-H819 VanDerWaalsContact O-C 3.3Å; V816-S820 WeakPolarHBondContact O-CA 3.37Å; V816-S820 PolarHBondContact O-N 2.55Å; V816-S820 VanDerWaalsContact O-N 3.1Å; V816-A825 HydrophobicContact CG2-CB 3.92Å; V816-W826 HydrophobicContact CG1-CD2 4.23Å; V816-W826 HydrophobicContact CG1-CH2 3.77Å; V816-W826 HydrophobicContact CG1-CZ2 3.32Å; V816-W826 HydrophobicContact CG1-CZ3 4.37Å; V816-W826 HydrophobicContact CG2-CD2 4.03Å; V816-W826 HydrophobicContact CG2-CE3 4.38Å; V816-W826 HydrophobicContact CG2-CG 4.32Å; V816-L829 HydrophobicContact CG2-CD2 4.3Å |
| 817 | Q | 89.6 | Confident | 92.9 | Very high | 118 Ų | 118 | 44.8 Ų | 44.8 | 55% | 0.551 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66 | -44.6 | 175.2 | -72.9 | -179.2 | 9.5 | 0 | 0 | 111.5 | R520 R813 D814 | R520-Q817 PolarHBondContact NH1-O 3.44Å; R520-Q817 PolarHBondContact NH2-O 3.17Å; R813-Q817 WeakPolarHBondContact O-CG 3.04Å; R813-Q817 PolarHBondContact O-N 3.12Å; D814-Q817 PolarHBondContact O-N 3.3Å |
| 818 | V | 87.1 | Confident | 92.9 | Very high | 47 Ų | 47 | 40.1 Ų | 40.1 | 29% | 0.285 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.5 | -53.7 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | R520 T787 L792 D814 A815 | R520-V818 PolarHBondContact NH1-O 3.45Å; R520-V818 PolarHBondContact NH2-O 3.2Å; R520-V818 VanDerWaalsContact NH2-O 3.15Å; T787-V818 WeakPolarHBondContact O-CG1 3.32Å; L792-V818 HydrophobicContact CD1-CG2 4.16Å; D814-V818 WeakPolarHBondContact O-CG2 3.28Å; D814-V818 PolarHBondContact O-N 3.48Å; A815-V818 PolarHBondContact O-N 3.37Å |
| 819 | H | 86.1 | Confident | 92.9 | Very high | 64 Ų | 64 | 40.2 Ų | 40.2 | 30% | 0.296 | 20% | 0.197 | S | C | . | . | trans | -130 | 91.9 | 179.8 | -162.1 | 61.6 | 0 | 0 | 0 | 112.2 | E789 A815 V816 T821 S822 | E789-H819 HydrophobicContact CB-CB 4.31Å; E789-H819 HydrophobicContact CG-CB 3.77Å; E789-H819 IonicContact OE1-CD2 3.84Å; E789-H819 WeakPolarHBondContact OE2-CB 3.39Å; E789-H819 IonicContact OE2-CD2 2.63Å; E789-H819 PolarHBondContact OE2-CD2 3.14Å; E789-H819 IonicContact OE2-CG 2.67Å; E789-H819 VanDerWaalsContact OE2-CG 3.32Å; A815-H819 PolarHBondContact O-N 3.21Å; V816-H819 CarbonylContact O-C 3.5Å; V816-H819 VanDerWaalsContact O-C 3.3Å; H819-T821 PolarHBondContact CE1-OG1 3.17Å; H819-T821 PolarHBondContact NE2-OG1 3.48Å; H819-T821 PolarHBondContact O-N 3.05Å; H819-T821 VanDerWaalsContact O-N 3.11Å; H819-S822 PolarHBondContact CD2-N 3.13Å; H819-S822 WeakPolarHBondContact O-CB 3.34Å; H819-S822 PolarHBondContact O-N 3.06Å; H819-S822 VanDerWaalsContact O-N 3.14Å | ||
| 820 | S | 88.1 | Confident | 92.9 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 28% | 0.28 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.5 | -177.8 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | V816 W826 | V816-S820 WeakPolarHBondContact O-CA 3.37Å; V816-S820 PolarHBondContact O-N 2.55Å; V816-S820 VanDerWaalsContact O-N 3.1Å; S820-W826 PolarHBondContact O-NE1 3.33Å |
| 821 | T | 88.8 | Confident | 92.9 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 17% | 0.172 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 11.9 | 177.8 | 68.8 | 0 | 0 | 0 | 0 | 113.8 | R556 H819 H823 L851 | R556-T821 HydrophobicContact CG-CG2 4.02Å; R556-T821 PolarHBondContact NH2-O 3.49Å; R556-T821 PolarHBondContact NH2-OG1 2.95Å; H819-T821 PolarHBondContact CE1-OG1 3.17Å; H819-T821 PolarHBondContact NE2-OG1 3.48Å; H819-T821 PolarHBondContact O-N 3.05Å; H819-T821 VanDerWaalsContact O-N 3.11Å; T821-H823 PolarHBondContact O-N 3.4Å; T821-L851 HydrophobicContact CG2-CD2 4.35Å |
| 822 | S | 91.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | trans | -80.5 | 104 | 176 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | E789 H819 E824 A825 W826 | E789-S822 WeakPolarHBondContact OE1-CB 3.36Å; E789-S822 PolarHBondContact OE1-OG 3.35Å; H819-S822 PolarHBondContact CD2-N 3.13Å; H819-S822 WeakPolarHBondContact O-CB 3.34Å; H819-S822 PolarHBondContact O-N 3.06Å; H819-S822 VanDerWaalsContact O-N 3.14Å; S822-E824 VanDerWaalsContact C-N 3.27Å; S822-E824 PolarHBondContact O-N 3.33Å; S822-A825 PolarHBondContact O-N 3.09Å; S822-A825 WeakPolarHBondContact OG-CB 3.45Å; S822-A825 PolarHBondContact OG-N 3.32Å; S822-W826 PolarHBondContact O-N 2.9Å | ||
| 823 | H | 94.2 | Very high | 92.8 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 21% | 0.208 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -34.7 | 174 | 68.5 | -81.7 | 0 | 0 | 0 | 111.9 | T821 A825 W826 S827 A848 L851 E852 | T821-H823 PolarHBondContact O-N 3.4Å; H823-A825 PolarHBondContact O-N 3.13Å; H823-W826 PolarHBondContact O-N 3.44Å; H823-S827 VanDerWaalsContact O-CB 3.27Å; H823-S827 WeakPolarHBondContact O-CB 3.46Å; H823-S827 PolarHBondContact O-N 2.95Å; H823-A848 VanDerWaalsContact CB-O 3.25Å; H823-A848 WeakPolarHBondContact CB-O 3.18Å; H823-L851 HydrophobicContact CB-CB 3.92Å; H823-E852 HydrophobicContact CB-CB 4.07Å |
| 824 | E | 94.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 36.4 Ų | 36.4 | 27% | 0.266 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.5 | -38.8 | 177.2 | -65.9 | -174 | -169.1 | 0 | 0 | 112.4 | V793 R797 S822 G828 | V793-E824 HydrophobicContact CG1-CB 4.15Å; R797-E824 PolarHBondContact NH2-O 3.23Å; S822-E824 VanDerWaalsContact C-N 3.27Å; S822-E824 PolarHBondContact O-N 3.33Å; E824-G828 PolarHBondContact O-N 3.48Å |
| 825 | A | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.6 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V793 A815 V816 S822 H823 G828 L829 | V793-A825 HydrophobicContact CG2-CB 3.61Å; A815-A825 HydrophobicContact CB-CB 4.02Å; V816-A825 HydrophobicContact CG2-CB 3.92Å; S822-A825 PolarHBondContact O-N 3.09Å; S822-A825 WeakPolarHBondContact OG-CB 3.45Å; S822-A825 PolarHBondContact OG-N 3.32Å; H823-A825 PolarHBondContact O-N 3.13Å; A825-G828 PolarHBondContact O-N 3Å; A825-L829 WeakPolarHBondContact O-CB 3.32Å; A825-L829 PolarHBondContact O-N 3.28Å |
| 826 | W | 96.3 | Very high | 92.8 | Very high | 58 Ų | 58 | 42 Ų | 42 | 22% | 0.22 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | 175.7 | -78.1 | 110.7 | 0 | 0 | 0 | 112.4 | V816 S820 S822 H823 L829 G830 C844 A848 L851 | V816-W826 HydrophobicContact CG1-CD2 4.23Å; V816-W826 HydrophobicContact CG1-CH2 3.77Å; V816-W826 HydrophobicContact CG1-CZ2 3.32Å; V816-W826 HydrophobicContact CG1-CZ3 4.37Å; V816-W826 HydrophobicContact CG2-CD2 4.03Å; V816-W826 HydrophobicContact CG2-CE3 4.38Å; V816-W826 HydrophobicContact CG2-CG 4.32Å; S820-W826 PolarHBondContact O-NE1 3.33Å; S822-W826 PolarHBondContact O-N 2.9Å; H823-W826 PolarHBondContact O-N 3.44Å; W826-L829 HydrophobicContact CE3-CD2 4.11Å; W826-L829 HydrophobicContact CZ3-CD2 4.08Å; W826-L829 PolarHBondContact O-N 3.48Å; W826-G830 PolarHBondContact O-N 3.46Å; W826-C844 HydrophobicContact CE3-CB 4.19Å; W826-A848 HydrophobicContact CB-CB 3.84Å; W826-L851 HydrophobicContact CG-CD1 4.37Å |
| 827 | S | 96.3 | Very high | 92.7 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 173.6 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | H823 L829 G830 E831 | H823-S827 VanDerWaalsContact O-CB 3.27Å; H823-S827 WeakPolarHBondContact O-CB 3.46Å; H823-S827 PolarHBondContact O-N 2.95Å; S827-L829 VanDerWaalsContact C-N 3.32Å; S827-L829 PolarHBondContact O-N 2.86Å; S827-G830 WeakPolarHBondContact O-CA 3.36Å; S827-G830 PolarHBondContact O-N 2.91Å; S827-G830 VanDerWaalsContact O-N 3.12Å; S827-E831 WeakPolarHBondContact O-CG 3.32Å; S827-E831 PolarHBondContact O-N 2.93Å |
| 828 | G | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L812 E824 A825 G830 E831 A832 | L812-G828 VanDerWaalsContact CD1-C 3.44Å; L812-G828 VanDerWaalsContact CD1-O 3.23Å; L812-G828 WeakPolarHBondContact CD1-O 3.24Å; E824-G828 PolarHBondContact O-N 3.48Å; A825-G828 PolarHBondContact O-N 3Å; G828-G830 VanDerWaalsContact C-N 3.34Å; G828-E831 WeakPolarHBondContact O-CB 3.38Å; G828-E831 PolarHBondContact O-N 3.2Å; G828-A832 PolarHBondContact O-N 2.99Å |
| 829 | L | 95.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 173.7 | -177.2 | 60.5 | 0 | 0 | 0 | 111.4 | E809 L812 R813 V816 A825 W826 S827 A832 L833 | E809-L829 HydrophobicContact CG-CD1 3.67Å; L812-L829 HydrophobicContact CB-CB 4.2Å; L812-L829 HydrophobicContact CB-CD1 4.17Å; R813-L829 HydrophobicContact CG-CD1 3.79Å; R813-L829 HydrophobicContact CG-CD2 4.22Å; V816-L829 HydrophobicContact CG2-CD2 4.3Å; A825-L829 WeakPolarHBondContact O-CB 3.32Å; A825-L829 PolarHBondContact O-N 3.28Å; W826-L829 HydrophobicContact CE3-CD2 4.11Å; W826-L829 HydrophobicContact CZ3-CD2 4.08Å; W826-L829 PolarHBondContact O-N 3.48Å; S827-L829 VanDerWaalsContact C-N 3.32Å; S827-L829 PolarHBondContact O-N 2.86Å; L829-A832 PolarHBondContact O-N 3.31Å; L829-L833 HydrophobicContact CD1-CD1 4.32Å; L829-L833 HydrophobicContact CD1-CG 4.32Å; L829-L833 HydrophobicContact CG-CD1 4.05Å; L829-L833 HydrophobicContact CG-CG 4.48Å; L829-L833 WeakPolarHBondContact O-CB 3.35Å; L829-L833 VanDerWaalsContact O-CG 3.25Å; L829-L833 WeakPolarHBondContact O-CG 3.3Å; L829-L833 PolarHBondContact O-N 3.44Å |
| 830 | G | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W826 S827 G828 A832 L833 Q834 | W826-G830 PolarHBondContact O-N 3.46Å; S827-G830 WeakPolarHBondContact O-CA 3.36Å; S827-G830 PolarHBondContact O-N 2.91Å; S827-G830 VanDerWaalsContact O-N 3.12Å; G828-G830 VanDerWaalsContact C-N 3.34Å; G830-A832 PolarHBondContact O-N 3.3Å; G830-L833 PolarHBondContact O-N 2.93Å; G830-Q834 VanDerWaalsContact O-CB 3.26Å; G830-Q834 WeakPolarHBondContact O-CB 3.4Å; G830-Q834 PolarHBondContact O-N 3.33Å |
| 831 | E | 94.3 | Very high | 93.6 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 175.4 | -68.5 | 171.6 | -176.7 | 0 | 0 | 111.7 | S827 G828 L833 Q834 A835 F845 | S827-E831 WeakPolarHBondContact O-CG 3.32Å; S827-E831 PolarHBondContact O-N 2.93Å; G828-E831 WeakPolarHBondContact O-CB 3.38Å; G828-E831 PolarHBondContact O-N 3.2Å; E831-L833 PolarHBondContact O-N 3.38Å; E831-Q834 PolarHBondContact O-N 3.04Å; E831-A835 WeakPolarHBondContact O-CB 3.39Å; E831-A835 PolarHBondContact O-N 3.27Å; E831-F845 HydrophobicContact CG-CE1 4.37Å; E831-F845 HydrophobicContact CG-CZ 4.44Å |
| 832 | A | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V800 V805 E809 L812 G828 L829 G830 R836 | V800-A832 HydrophobicContact CG2-CB 3.62Å; V805-A832 HydrophobicContact CG1-CB 4.46Å; V805-A832 WeakPolarHBondContact CG1-O 3.41Å; E809-A832 HydrophobicContact CB-CB 4.13Å; L812-A832 HydrophobicContact CD1-CB 3.87Å; G828-A832 PolarHBondContact O-N 2.99Å; L829-A832 PolarHBondContact O-N 3.31Å; G830-A832 PolarHBondContact O-N 3.3Å; A832-R836 WeakPolarHBondContact O-CG 3.21Å; A832-R836 PolarHBondContact O-N 3.28Å |
| 833 | L | 94.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.7 | -34.8 | 178.5 | -72.3 | 174.2 | 0 | 0 | 0 | 112.4 | E809 L829 G830 E831 R836 D837 S838 Q840 A841 | E809-L833 HydrophobicContact CG-CD2 4.29Å; L829-L833 HydrophobicContact CD1-CD1 4.32Å; L829-L833 HydrophobicContact CD1-CG 4.32Å; L829-L833 HydrophobicContact CG-CD1 4.05Å; L829-L833 HydrophobicContact CG-CG 4.48Å; L829-L833 WeakPolarHBondContact O-CB 3.35Å; L829-L833 VanDerWaalsContact O-CG 3.25Å; L829-L833 WeakPolarHBondContact O-CG 3.3Å; L829-L833 PolarHBondContact O-N 3.44Å; G830-L833 PolarHBondContact O-N 2.93Å; E831-L833 PolarHBondContact O-N 3.38Å; L833-R836 CarbonylContact O-C 3.47Å; L833-R836 PolarHBondContact O-N 3.42Å; L833-R836 VanDerWaalsContact O-N 3.14Å; L833-D837 PolarHBondContact O-N 3.28Å; L833-S838 WeakPolarHBondContact O-CB 3.17Å; L833-S838 PolarHBondContact O-N 3.17Å; L833-Q840 HydrophobicContact CD1-CB 4.05Å; L833-A841 HydrophobicContact CB-CB 3.86Å |
| 834 | Q | 94.4 | Very high | 94.1 | Very high | 116 Ų | 116 | 52.7 Ų | 52.7 | 54% | 0.542 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66 | -42 | 174.5 | -175.1 | 178.4 | 27.1 | 0 | 0 | 110.9 | G830 E831 R836 D837 A841 | G830-Q834 VanDerWaalsContact O-CB 3.26Å; G830-Q834 WeakPolarHBondContact O-CB 3.4Å; G830-Q834 PolarHBondContact O-N 3.33Å; E831-Q834 PolarHBondContact O-N 3.04Å; Q834-R836 PolarHBondContact O-N 3.47Å; Q834-D837 PolarHBondContact O-N 3.39Å; Q834-A841 HydrophobicContact CB-CB 4.17Å |
| 835 | A | 92.3 | Very high | 94.2 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 51% | 0.512 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V805 E831 | V805-A835 HydrophobicContact CG1-CB 4.01Å; V805-A835 HydrophobicContact CG2-CB 4.26Å; E831-A835 WeakPolarHBondContact O-CB 3.39Å; E831-A835 PolarHBondContact O-N 3.27Å |
| 836 | R | 91.6 | Very high | 94.3 | Very high | 117 Ų | 117 | 57.6 Ų | 57.6 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 4.2 | 173.8 | -66.2 | -175.7 | 60.1 | -177.4 | -5.1 | 113.8 | V805 H806 E809 A832 L833 Q834 S838 | V805-R836 HydrophobicContact CG1-CG 3.68Å; H806-R836 PolarHBondContact CE1-NE 3.19Å; H806-R836 PolarHBondContact ND1-NH1 3.13Å; E809-R836 IonicContact OE1-NH1 3.44Å; E809-R836 WeakPolarHBondContact OE2-CD 3.31Å; E809-R836 IonicContact OE2-CZ 3.99Å; E809-R836 IonicContact OE2-NE 3.35Å; E809-R836 IonicContact OE2-NH1 3.29Å; E809-R836 PolarHBondContact OE2-NH1 3.27Å; A832-R836 WeakPolarHBondContact O-CG 3.21Å; A832-R836 PolarHBondContact O-N 3.28Å; L833-R836 CarbonylContact O-C 3.47Å; L833-R836 PolarHBondContact O-N 3.42Å; L833-R836 VanDerWaalsContact O-N 3.14Å; Q834-R836 PolarHBondContact O-N 3.47Å; R836-S838 PolarHBondContact O-N 3.41Å |
| 837 | D | 90.3 | Very high | 94.2 | Very high | 156 Ų | 156 | 56.9 Ų | 56.9 | 83% | 0.834 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 35.2 | -173.1 | -60.9 | -48.5 | 0 | 0 | 0 | 113.6 | L833 Q834 | L833-D837 PolarHBondContact O-N 3.28Å; Q834-D837 PolarHBondContact O-N 3.39Å |
| 838 | S | 92.4 | Very high | 94.2 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | trans | -79.7 | 138.1 | 178.7 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | L833 R836 Q840 A841 | L833-S838 WeakPolarHBondContact O-CB 3.17Å; L833-S838 PolarHBondContact O-N 3.17Å; R836-S838 PolarHBondContact O-N 3.41Å; S838-Q840 PolarHBondContact O-N 2.95Å; S838-Q840 VanDerWaalsContact O-N 3.13Å; S838-Q840 PolarHBondContact OG-N 3.21Å; S838-A841 PolarHBondContact O-N 3.17Å | ||
| 839 | S | 92.1 | Very high | 94.2 | Very high | 109 Ų | 109 | 60.8 Ų | 60.8 | 76% | 0.762 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12 | 176.9 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | P842 | S839-P842 WeakPolarHBondContact O-CD 3.37Š|
| 840 | Q | 93.1 | Very high | 94.1 | Very high | 95 Ų | 95 | 67.3 Ų | 67.3 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -11.7 | 179 | -66.5 | 179 | -0.5 | 0 | 0 | 113.3 | L833 S838 D843 C844 | L833-Q840 HydrophobicContact CD1-CB 4.05Å; S838-Q840 PolarHBondContact O-N 2.95Å; S838-Q840 VanDerWaalsContact O-N 3.13Å; S838-Q840 PolarHBondContact OG-N 3.21Å; Q840-D843 PolarHBondContact O-N 3.37Å; Q840-C844 PolarHBondContact O-N 3Å |
| 841 | A | 93.4 | Very high | 94 | Very high | 6 Ų | 6 | 68.7 Ų | 68.7 | 5% | 0.05 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60 | -44 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L833 Q834 S838 D843 C844 F845 | L833-A841 HydrophobicContact CB-CB 3.86Å; Q834-A841 HydrophobicContact CB-CB 4.17Å; S838-A841 PolarHBondContact O-N 3.17Å; A841-D843 VanDerWaalsContact C-N 3.32Å; A841-D843 PolarHBondContact O-N 3.38Å; A841-C844 PolarHBondContact O-N 3.36Å; A841-F845 HydrophobicContact CB-CE2 4.28Å; A841-F845 WeakPolarHBondContact O-CD2 3.29Å; A841-F845 PolarHBondContact O-N 3.19Å; A841-F845 VanDerWaalsContact O-N 3.08Å |
| 842 | P | 94.9 | Very high | 94 | Very high | 75 Ų | 75 | 69.2 Ų | 69.2 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 177.4 | -23.7 | 35.5 | 0 | 0 | 0 | 113 | S839 C844 F845 L846 | S839-P842 WeakPolarHBondContact O-CD 3.37Å; P842-C844 VanDerWaalsContact C-N 3.33Å; P842-C844 PolarHBondContact O-N 3.36Å; P842-F845 PolarHBondContact O-N 3.13Å; P842-L846 WeakPolarHBondContact O-CG 3.4Å; P842-L846 PolarHBondContact O-N 2.77Å |
| 843 | D | 95.1 | Very high | 93.8 | Very high | 99 Ų | 99 | 72.3 Ų | 72.3 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 178.3 | -60.5 | -26.9 | 0 | 0 | 0 | 110.8 | Q840 A841 F845 L846 T847 | Q840-D843 PolarHBondContact O-N 3.37Å; A841-D843 VanDerWaalsContact C-N 3.32Å; A841-D843 PolarHBondContact O-N 3.38Å; D843-F845 PolarHBondContact O-N 3.04Å; D843-L846 PolarHBondContact O-N 3.19Å; D843-T847 WeakPolarHBondContact O-CG2 3.44Å; D843-T847 PolarHBondContact O-N 3.49Å; D843-T847 PolarHBondContact O-OG1 2.96Å |
| 844 | C | 94.8 | Very high | 93.7 | Very high | 9 Ų | 9 | 73.3 Ų | 73.3 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 174.9 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | W826 Q840 A841 P842 T847 A848 | W826-C844 HydrophobicContact CE3-CB 4.19Å; Q840-C844 PolarHBondContact O-N 3Å; A841-C844 PolarHBondContact O-N 3.36Å; P842-C844 VanDerWaalsContact C-N 3.33Å; P842-C844 PolarHBondContact O-N 3.36Å; C844-T847 WeakPolarHBondContact CA-OG1 3.43Å; C844-T847 PolarHBondContact O-N 3.23Å; C844-T847 PolarHBondContact O-OG1 3.42Å; C844-A848 WeakPolarHBondContact O-CB 3.49Å; C844-A848 PolarHBondContact O-N 2.89Å |
| 845 | F | 95.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 68.7 Ų | 68.7 | 26% | 0.263 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 176.6 | -67.7 | -55.6 | 0 | 0 | 0 | 112.8 | E831 A841 P842 D843 A848 L849 | E831-F845 HydrophobicContact CG-CE1 4.37Å; E831-F845 HydrophobicContact CG-CZ 4.44Å; A841-F845 HydrophobicContact CB-CE2 4.28Å; A841-F845 WeakPolarHBondContact O-CD2 3.29Å; A841-F845 PolarHBondContact O-N 3.19Å; A841-F845 VanDerWaalsContact O-N 3.08Å; P842-F845 PolarHBondContact O-N 3.13Å; D843-F845 PolarHBondContact O-N 3.04Å; F845-A848 WeakPolarHBondContact O-CB 3.48Å; F845-A848 PolarHBondContact O-N 2.71Å; F845-L849 WeakPolarHBondContact O-CG 3.49Å; F845-L849 PolarHBondContact O-N 2.95Å |
| 846 | L | 96.3 | Very high | 93.8 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 52% | 0.524 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 174.5 | -72.1 | 172.7 | 0 | 0 | 0 | 111.1 | P842 D843 A848 L849 E850 | P842-L846 WeakPolarHBondContact O-CG 3.4Å; P842-L846 PolarHBondContact O-N 2.77Å; D843-L846 PolarHBondContact O-N 3.19Å; L846-A848 VanDerWaalsContact C-N 3.3Å; L846-A848 PolarHBondContact O-N 3.48Å; L846-L849 PolarHBondContact O-N 3.49Å; L846-E850 WeakPolarHBondContact O-CG 2.97Å; L846-E850 PolarHBondContact O-N 2.69Å |
| 847 | T | 95.1 | Very high | 93.9 | Very high | 43 Ų | 43 | 62.9 Ų | 62.9 | 26% | 0.264 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 176.1 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | D843 C844 E850 L851 | D843-T847 WeakPolarHBondContact O-CG2 3.44Å; D843-T847 PolarHBondContact O-N 3.49Å; D843-T847 PolarHBondContact O-OG1 2.96Å; C844-T847 WeakPolarHBondContact CA-OG1 3.43Å; C844-T847 PolarHBondContact O-N 3.23Å; C844-T847 PolarHBondContact O-OG1 3.42Å; T847-E850 PolarHBondContact O-N 3.32Å; T847-L851 WeakPolarHBondContact O-CB 2.92Å; T847-L851 VanDerWaalsContact O-CG 3.27Å; T847-L851 WeakPolarHBondContact O-CG 2.99Å; T847-L851 PolarHBondContact O-N 3.48Å |
| 848 | A | 95.9 | Very high | 94 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H823 W826 C844 F845 L846 L851 E852 | H823-A848 VanDerWaalsContact CB-O 3.25Å; H823-A848 WeakPolarHBondContact CB-O 3.18Å; W826-A848 HydrophobicContact CB-CB 3.84Å; C844-A848 WeakPolarHBondContact O-CB 3.49Å; C844-A848 PolarHBondContact O-N 2.89Å; F845-A848 WeakPolarHBondContact O-CB 3.48Å; F845-A848 PolarHBondContact O-N 2.71Å; L846-A848 VanDerWaalsContact C-N 3.3Å; L846-A848 PolarHBondContact O-N 3.48Å; A848-L851 PolarHBondContact O-N 3.06Å; A848-E852 WeakPolarHBondContact O-CB 3.22Å; A848-E852 PolarHBondContact O-N 2.7Å |
| 849 | L | 95.4 | Very high | 94.1 | Very high | 104 Ų | 104 | 59.4 Ų | 59.4 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 178.7 | -70 | 170.5 | 0 | 0 | 0 | 112.4 | F845 L846 L851 E852 A853 | F845-L849 WeakPolarHBondContact O-CG 3.49Å; F845-L849 PolarHBondContact O-N 2.95Å; L846-L849 PolarHBondContact O-N 3.49Å; L849-L851 VanDerWaalsContact C-N 3.33Å; L849-L851 PolarHBondContact O-N 3.08Å; L849-E852 PolarHBondContact O-N 2.94Å; L849-A853 WeakPolarHBondContact O-CB 3.4Å; L849-A853 PolarHBondContact O-N 2.83Å |
| 850 | E | 93.3 | Very high | 94.2 | Very high | 140 Ų | 140 | 54.5 Ų | 54.5 | 65% | 0.654 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.2 | -41.8 | 175.7 | -71.8 | 177.9 | 179.5 | 0 | 0 | 112 | L846 T847 S854 | L846-E850 WeakPolarHBondContact O-CG 2.97Å; L846-E850 PolarHBondContact O-N 2.69Å; T847-E850 PolarHBondContact O-N 3.32Å; E850-S854 PolarHBondContact O-OG 3.44Å |
| 851 | L | 93.6 | Very high | 94.1 | Very high | 28 Ų | 28 | 53.4 Ų | 53.4 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.8 | -35.4 | 178 | -70.8 | 171.9 | 0 | 0 | 0 | 112.5 | T821 H823 W826 T847 A848 L849 A853 S854 S855 | T821-L851 HydrophobicContact CG2-CD2 4.35Å; H823-L851 HydrophobicContact CB-CB 3.92Å; W826-L851 HydrophobicContact CG-CD1 4.37Å; T847-L851 WeakPolarHBondContact O-CB 2.92Å; T847-L851 VanDerWaalsContact O-CG 3.27Å; T847-L851 WeakPolarHBondContact O-CG 2.99Å; T847-L851 PolarHBondContact O-N 3.48Å; A848-L851 PolarHBondContact O-N 3.06Å; L849-L851 VanDerWaalsContact C-N 3.33Å; L849-L851 PolarHBondContact O-N 3.08Å; L851-A853 VanDerWaalsContact C-N 3.35Å; L851-S854 CarbonylContact O-C 3.55Å; L851-S854 PolarHBondContact O-N 3.29Å; L851-S854 PolarHBondContact O-OG 3.01Å; L851-S855 WeakPolarHBondContact O-CB 3.08Å; L851-S855 PolarHBondContact O-N 3.1Å |
| 852 | E | 93.9 | Very high | 94.1 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 41% | 0.407 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175.7 | -174.6 | -176.1 | 178.4 | 0 | 0 | 111.5 | K590 H823 A848 L849 S854 S855 | K590-E852 WeakPolarHBondContact CE-O 3.14Å; K590-E852 PolarHBondContact NZ-O 3.3Å; H823-E852 HydrophobicContact CB-CB 4.07Å; A848-E852 WeakPolarHBondContact O-CB 3.22Å; A848-E852 PolarHBondContact O-N 2.7Å; L849-E852 PolarHBondContact O-N 2.94Å; E852-S854 PolarHBondContact O-N 3.1Å; E852-S855 WeakPolarHBondContact O-CB 3.11Å; E852-S855 PolarHBondContact O-N 3.07Å |
| 853 | A | 91.9 | Very high | 94 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.5 | -25.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L849 L851 | L849-A853 WeakPolarHBondContact O-CB 3.4Å; L849-A853 PolarHBondContact O-N 2.83Å; L851-A853 VanDerWaalsContact C-N 3.35Å |
| 854 | S | 92.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 49.9 Ų | 49.9 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 15.1 | 176.1 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | R556 E850 L851 E852 P856 | R556-S854 PolarHBondContact NH1-O 3.44Å; E850-S854 PolarHBondContact O-OG 3.44Å; L851-S854 CarbonylContact O-C 3.55Å; L851-S854 PolarHBondContact O-N 3.29Å; L851-S854 PolarHBondContact O-OG 3.01Å; E852-S854 PolarHBondContact O-N 3.1Å; S854-P856 WeakPolarHBondContact O-CD 3.38Å |
| 855 | S | 93.3 | Very high | 93.8 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | trans | -83.1 | 119.1 | -178 | -166.6 | 0 | 0 | 0 | 0 | 112.3 | S588 L851 E852 | S588-S855 WeakPolarHBondContact CA-O 3.4Å; L851-S855 WeakPolarHBondContact O-CB 3.08Å; L851-S855 PolarHBondContact O-N 3.1Å; E852-S855 WeakPolarHBondContact O-CB 3.11Å; E852-S855 PolarHBondContact O-N 3.07Å | ||
| 856 | P | 94.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | trans | -69.6 | 159.6 | 170.5 | 34.4 | -37.3 | 0 | 0 | 0 | 110.2 | L584 S854 R858 F860 | L584-P856 HydrophobicContact CB-CB 4.44Å; S854-P856 WeakPolarHBondContact O-CD 3.38Å; P856-R858 VanDerWaalsContact CB-O 3.23Å; P856-R858 WeakPolarHBondContact CB-O 3.24Å; P856-R858 WeakPolarHBondContact CG-O 3.35Å; P856-R858 PolarHBondContact O-N 3.09Å; P856-F860 HydrophobicContact CB-CD1 4.47Å; P856-F860 HydrophobicContact CB-CE1 3.92Å; P856-F860 HydrophobicContact CB-CE2 4.17Å; P856-F860 HydrophobicContact CB-CZ 3.74Å; P856-F860 HydrophobicContact CG-CD1 4.45Å; P856-F860 HydrophobicContact CG-CD2 3.95Å; P856-F860 HydrophobicContact CG-CE1 4.19Å; P856-F860 HydrophobicContact CG-CE2 3.65Å; P856-F860 HydrophobicContact CG-CG 4.34Å; P856-F860 HydrophobicContact CG-CZ 3.77Å | ||
| 857 | I | 93.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 25% | 0.246 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -64.3 | -30 | 178.5 | -163.1 | 69.7 | 0 | 0 | 0 | 112.5 | L584 S587 T615 K618 L619 A622 | L584-I857 HydrophobicContact CD2-CG2 4.3Å; S587-I857 PolarHBondContact OG-N 3.16Å; T615-I857 HydrophobicContact CG2-CG2 4.21Å; K618-I857 HydrophobicContact CB-CG1 3.78Å; L619-I857 HydrophobicContact CD2-CB 4.09Å; L619-I857 HydrophobicContact CD2-CG1 4.12Å; L619-I857 HydrophobicContact CD2-CG2 3.85Å; L619-I857 HydrophobicContact CG-CG1 4.46Å; L619-I857 HydrophobicContact CG-CG2 4.04Å; A622-I857 HydrophobicContact CB-CD1 3.94Å |
| 858 | R | 93.6 | Very high | 93 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 16% | 0.158 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -134.5 | 150.9 | 170.2 | -68.7 | -172.7 | 70.2 | -155.4 | 3.6 | 109.3 | L584 N611 L614 T615 K618 P856 I862 | L584-R858 HydrophobicContact CD2-CB 4.12Å; N611-R858 PolarHBondContact O-NH1 3.04Å; N611-R858 VanDerWaalsContact O-NH1 3.1Å; L614-R858 VanDerWaalsContact CB-NH1 3.33Å; T615-R858 PolarHBondContact OG1-NH1 3.45Å; T615-R858 VanDerWaalsContact OG1-NH1 3.1Å; K618-R858 HydrophobicContact CB-CG 4.21Å; K618-R858 HydrophobicContact CG-CG 4.03Å; P856-R858 VanDerWaalsContact CB-O 3.23Å; P856-R858 WeakPolarHBondContact CB-O 3.24Å; P856-R858 WeakPolarHBondContact CG-O 3.35Å; P856-R858 PolarHBondContact O-N 3.09Å; R858-I862 HydrophobicContact CB-CD1 3.9Å |
| 859 | P | 93 | Very high | 92.8 | Very high | 78 Ų | 78 | 51.6 Ų | 51.6 | 51% | 0.506 | 28% | 0.283 | S | S | . | . | trans | -56.5 | 141.1 | -178.6 | -24.8 | 34.2 | 0 | 0 | 0 | 112.4 | T861 I862 | P859-T861 WeakPolarHBondContact CB-OG1 3.46Å; P859-T861 PolarHBondContact O-N 3.19Å; P859-T861 VanDerWaalsContact O-N 3.15Å; P859-I862 VanDerWaalsContact O-CG1 3.27Å; P859-I862 WeakPolarHBondContact O-CG1 3.38Å; P859-I862 WeakPolarHBondContact O-CG2 3.32Å; P859-I862 PolarHBondContact O-N 2.78Å | ||
| 860 | F | 94.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -60.8 | -23.5 | 175.4 | -63.1 | -64.7 | 0 | 0 | 0 | 113 | L550 A553 L554 L581 L584 L585 P856 I862 I863 | L550-F860 HydrophobicContact CD1-CB 4.03Å; A553-F860 HydrophobicContact CB-CD1 3.91Å; A553-F860 HydrophobicContact CB-CD2 3.91Å; A553-F860 HydrophobicContact CB-CE1 3.93Å; A553-F860 HydrophobicContact CB-CE2 3.94Å; A553-F860 HydrophobicContact CB-CG 3.9Å; A553-F860 HydrophobicContact CB-CZ 3.96Å; A553-F860 WeakPolarHBondContact O-CD2 3.23Å; A553-F860 WeakPolarHBondContact O-CE2 3.37Å; L554-F860 HydrophobicContact CD2-CB 3.84Å; L554-F860 HydrophobicContact CG-CB 4.36Å; L581-F860 HydrophobicContact CD1-CD1 3.88Å; L581-F860 HydrophobicContact CD1-CE1 4.3Å; L584-F860 HydrophobicContact CB-CD1 3.77Å; L584-F860 HydrophobicContact CB-CE1 3.63Å; L584-F860 HydrophobicContact CD1-CD1 4.03Å; L585-F860 HydrophobicContact CD2-CE1 3.92Å; L585-F860 HydrophobicContact CD2-CZ 3.96Å; L585-F860 HydrophobicContact CG-CE1 4.25Å; P856-F860 HydrophobicContact CB-CD1 4.47Å; P856-F860 HydrophobicContact CB-CE1 3.92Å; P856-F860 HydrophobicContact CB-CE2 4.17Å; P856-F860 HydrophobicContact CB-CZ 3.74Å; P856-F860 HydrophobicContact CG-CD1 4.45Å; P856-F860 HydrophobicContact CG-CD2 3.95Å; P856-F860 HydrophobicContact CG-CE1 4.19Å; P856-F860 HydrophobicContact CG-CE2 3.65Å; P856-F860 HydrophobicContact CG-CG 4.34Å; P856-F860 HydrophobicContact CG-CZ 3.77Å; F860-I862 PolarHBondContact O-N 3.39Å; F860-I862 VanDerWaalsContact O-N 3.11Å; F860-I863 PolarHBondContact O-N 3.46Å |
| 861 | T | 92.2 | Very high | 92.6 | Very high | 73 Ų | 73 | 43.4 Ų | 43.4 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -66.3 | -7.8 | 178.9 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | L554 P859 I863 | L554-T861 HydrophobicContact CD2-CG2 3.59Å; P859-T861 WeakPolarHBondContact CB-OG1 3.46Å; P859-T861 PolarHBondContact O-N 3.19Å; P859-T861 VanDerWaalsContact O-N 3.15Å; T861-I863 PolarHBondContact O-N 3Å |
| 862 | I | 92.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 44.3 Ų | 44.3 | 18% | 0.179 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -67.9 | -20.9 | 173.3 | 68.7 | -176.2 | 0 | 0 | 0 | 112.7 | H580 L584 R858 P859 F860 | H580-I862 WeakPolarHBondContact CE1-CD1 3.28Å; H580-I862 WeakPolarHBondContact NE2-CD1 3.36Å; L584-I862 HydrophobicContact CD1-CD1 3.89Å; L584-I862 HydrophobicContact CD1-CG1 4.03Å; L584-I862 HydrophobicContact CD2-CD1 4.18Å; R858-I862 HydrophobicContact CB-CD1 3.9Å; P859-I862 VanDerWaalsContact O-CG1 3.27Å; P859-I862 WeakPolarHBondContact O-CG1 3.38Å; P859-I862 WeakPolarHBondContact O-CG2 3.32Å; P859-I862 PolarHBondContact O-N 2.78Å; F860-I862 PolarHBondContact O-N 3.39Å; F860-I862 VanDerWaalsContact O-N 3.11Å |
| 863 | I | 93.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -80 | 118.2 | 173.7 | -59.5 | 178.3 | 0 | 0 | 0 | 107.4 | L550 P577 H580 L581 L584 F860 T861 | L550-I863 HydrophobicContact CD1-CB 4.35Å; L550-I863 HydrophobicContact CD1-CD1 4.28Å; L550-I863 HydrophobicContact CD2-CB 4.29Å; L550-I863 HydrophobicContact CD2-CG2 4.18Å; P577-I863 HydrophobicContact CB-CG2 4.07Å; H580-I863 HydrophobicContact CB-CD1 4.34Å; L581-I863 HydrophobicContact CB-CD1 3.6Å; L581-I863 HydrophobicContact CD1-CD1 4.06Å; L581-I863 HydrophobicContact CG-CD1 4.35Å; L584-I863 HydrophobicContact CD1-CD1 4.12Å; L584-I863 HydrophobicContact CD1-CG1 4.39Å; F860-I863 PolarHBondContact O-N 3.46Å; T861-I863 PolarHBondContact O-N 3Å |
| 864 | P | 91.5 | Very high | 92.5 | Very high | 69 Ų | 69 | 39.7 Ų | 39.7 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | trans | -65.1 | 138.4 | -177.1 | 26.9 | -33.5 | 0 | 0 | 0 | 110.7 | Y547 E866 | Y547-P864 PolarHBondContact OH-O 3.17Å; P864-E866 HydrophobicContact CB-CG 4.16Å; P864-E866 PolarHBondContact O-N 3.36Å | ||
| 865 | R | 93.8 | Very high | 92.5 | Very high | 28 Ų | 28 | 41 Ų | 41 | 11% | 0.106 | 22% | 0.224 | C | C | . | . | trans | -99.5 | 81.3 | 179.5 | -74 | 171.9 | -72.7 | 176.4 | -1.1 | 109.2 | I469 L505 S508 L509 S512 Y547 L550 | I469-R865 WeakPolarHBondContact CG2-O 3.37Å; L505-R865 HydrophobicContact CD2-CB 4.04Å; L505-R865 HydrophobicContact CD2-CG 4.34Å; S508-R865 PolarHBondContact O-NH1 3.14Å; S508-R865 WeakPolarHBondContact OG-CD 3.43Å; S508-R865 PolarHBondContact OG-NH1 2.69Å; L509-R865 HydrophobicContact CD1-CB 4.22Å; L509-R865 HydrophobicContact CD2-CB 4.2Å; L509-R865 HydrophobicContact CG-CB 4.24Å; S512-R865 PolarHBondContact OG-NH1 3.03Å; S512-R865 PolarHBondContact OG-NH2 2.79Å; Y547-R865 HydrophobicContact CE1-CG 4.41Å; L550-R865 HydrophobicContact CD2-CG 3.91Å | ||
| 866 | E | 90.3 | Very high | 92.5 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | trans | -126.1 | 152.7 | -171.7 | -65.3 | 177.5 | -162.4 | 0 | 0 | 112.7 | Q543 Y547 P864 | Q543-E866 PolarHBondContact NE2-O 3.36Å; Y547-E866 WeakPolarHBondContact CE2-O 3.29Å; Y547-E866 PolarHBondContact OH-N 3.43Å; Y547-E866 PolarHBondContact OH-O 3.29Å; P864-E866 HydrophobicContact CB-CG 4.16Å; P864-E866 PolarHBondContact O-N 3.36Å | ||
| 867 | L | 85.8 | Confident | 92.2 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | trans | -90.6 | 0 | -177 | -89.2 | 176.9 | 0 | 0 | 0 | 114.9 | K466 I469 R498 L501 A502 L505 Q543 | K466-L867 HydrophobicContact CB-CB 4Å; K466-L867 HydrophobicContact CB-CD1 4.28Å; K466-L867 HydrophobicContact CD-CB 4.49Å; K466-L867 WeakPolarHBondContact CD-O 3.18Å; K466-L867 WeakPolarHBondContact CE-O 3.33Å; K466-L867 HydrophobicContact CG-CB 4.01Å; K466-L867 PolarHBondContact NZ-O 3.36Å; I469-L867 HydrophobicContact CD1-CD1 3.6Å; I469-L867 HydrophobicContact CD1-CG 4.05Å; R498-L867 PolarHBondContact NH2-OXT 3.27Å; L501-L867 HydrophobicContact CD2-CD2 4.02Å; L501-L867 HydrophobicContact CG-CD2 4.07Å; A502-L867 HydrophobicContact CB-CD1 3.55Å; A502-L867 HydrophobicContact CB-CD2 4.08Å; A502-L867 HydrophobicContact CB-CG 4.32Å; L505-L867 HydrophobicContact CD1-CD2 3.89Å; L505-L867 HydrophobicContact CD1-CG 3.94Å; Q543-L867 PolarHBondContact NE2-OXT 2.82Å |
Retrieved 867 of 867 residues in 944.6 ms
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