| 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 | 75.1 | Confident | 83.2 | Confident | 166 Ų | 166 | 75.6 Ų | 75.6 | 82% | 0.818 | 41% | 0.414 | S | S | * | . | 0 | -63 | 0 | -169.4 | -160.1 | -72.3 | 0 | 0 | 110.2 | F3 S4 Y5 | M1-F3 PolarHBondContact O-N 3.05Å; M1-F3 VanDerWaalsContact O-N 3.09Å; M1-S4 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-OG 2.92Å; M1-Y5 HydrophobicContact CG-CE2 4.25Å; M1-Y5 HydrophobicContact SD-CE2 4.48Å | |||
| 2 | L | 81.4 | Confident | 83.5 | Confident | 60 Ų | 60 | 78.8 Ų | 78.8 | 31% | 0.314 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -52.5 | -37.8 | 179.9 | -65.1 | 171.7 | 0 | 0 | 0 | 113.1 | S4 Y5 T17 I21 I24 | L2-S4 VanDerWaalsContact C-N 3.26Å; L2-S4 PolarHBondContact O-N 3.29Å; L2-Y5 HydrophobicContact CD2-CD2 4.46Å; L2-Y5 PolarHBondContact O-N 3.49Å; L2-T17 HydrophobicContact CB-CG2 4.24Å; L2-T17 WeakPolarHBondContact O-CG2 3.37Å; L2-I21 HydrophobicContact CB-CD1 3.9Å; L2-I21 HydrophobicContact CB-CG1 4.1Å; L2-I21 HydrophobicContact CD1-CG1 3.94Å; L2-I24 HydrophobicContact CD1-CD1 3.68Å |
| 3 | F | 81.2 | Confident | 83.9 | Confident | 29 Ų | 29 | 76.5 Ų | 76.5 | 13% | 0.127 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.7 | -24.8 | 176.1 | -76.6 | -74.2 | 0 | 0 | 0 | 115.9 | M1 Y5 F6 I21 L41 E44 A56 A57 | M1-F3 PolarHBondContact O-N 3.05Å; M1-F3 VanDerWaalsContact O-N 3.09Å; F3-Y5 VanDerWaalsContact C-N 3.28Å; F3-Y5 PolarHBondContact O-N 2.93Å; F3-F6 AromaticContact CD1-CD2 3.64Å; F3-F6 HydrophobicContact CD1-CD2 3.64Å; F3-F6 AromaticContact CD1-CE2 3.64Å; F3-F6 HydrophobicContact CD1-CE2 3.64Å; F3-F6 HydrophobicContact CE1-CD2 4.19Å; F3-F6 AromaticContact CE1-CE2 3.74Å; F3-F6 HydrophobicContact CE1-CE2 3.74Å; F3-F6 HydrophobicContact CG-CD2 4.42Å; F3-F6 HydrophobicContact CG-CE2 4.48Å; F3-F6 PolarHBondContact O-N 3.3Å; F3-I21 HydrophobicContact CE1-CD1 4.37Å; F3-I21 HydrophobicContact CZ-CD1 4.28Å; F3-L41 HydrophobicContact CE1-CD2 4.44Å; F3-L41 HydrophobicContact CE2-CD2 4Å; F3-L41 HydrophobicContact CZ-CD2 3.44Å; F3-L41 VanDerWaalsContact CZ-CD2 3.44Å; F3-E44 HydrophobicContact CD2-CG 3.8Å; F3-E44 HydrophobicContact CE2-CG 4.19Å; F3-E44 HydrophobicContact CG-CG 4.3Å; F3-A56 HydrophobicContact CE1-CB 4.49Å; F3-A57 HydrophobicContact CD1-CB 4.45Å; F3-A57 HydrophobicContact CE1-CB 3.84Å; F3-A57 HydrophobicContact CZ-CB 4.32Å |
| 4 | S | 81.9 | Confident | 84.1 | Confident | 79 Ų | 79 | 75.2 Ų | 75.2 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -73 | -22.2 | 175.4 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | M1 L2 F6 D7 | M1-S4 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-OG 2.92Å; L2-S4 VanDerWaalsContact C-N 3.26Å; L2-S4 PolarHBondContact O-N 3.29Å; S4-F6 VanDerWaalsContact C-N 3.31Å; S4-D7 PolarHBondContact O-N 2.85Å |
| 5 | Y | 85 | Confident | 84.2 | Confident | 97 Ų | 97 | 76.3 Ų | 76.3 | 38% | 0.38 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -79.2 | -12.6 | 177.2 | -61.7 | -54.5 | 0 | 0 | 0 | 113.1 | M1 L2 F3 D7 D8 T17 | M1-Y5 HydrophobicContact CG-CE2 4.25Å; M1-Y5 HydrophobicContact SD-CE2 4.48Å; L2-Y5 HydrophobicContact CD2-CD2 4.46Å; L2-Y5 PolarHBondContact O-N 3.49Å; F3-Y5 VanDerWaalsContact C-N 3.28Å; F3-Y5 PolarHBondContact O-N 2.93Å; Y5-D7 PolarHBondContact O-N 3.19Å; Y5-D8 VanDerWaalsContact O-CB 3.27Å; Y5-D8 WeakPolarHBondContact O-CB 2.97Å; Y5-D8 PolarHBondContact O-N 3.28Å; Y5-T17 WeakPolarHBondContact CB-OG1 3.26Å |
| 6 | F | 81.8 | Confident | 84.5 | Confident | 10 Ų | 10 | 78.2 Ų | 78.2 | 4% | 0.044 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.1 | 170.1 | -77.8 | -61.2 | 0 | 0 | 0 | 113.3 | F3 S4 D8 R14 T17 E18 I21 R52 A56 | F3-F6 AromaticContact CD1-CD2 3.64Å; F3-F6 HydrophobicContact CD1-CD2 3.64Å; F3-F6 AromaticContact CD1-CE2 3.64Å; F3-F6 HydrophobicContact CD1-CE2 3.64Å; F3-F6 HydrophobicContact CE1-CD2 4.19Å; F3-F6 AromaticContact CE1-CE2 3.74Å; F3-F6 HydrophobicContact CE1-CE2 3.74Å; F3-F6 HydrophobicContact CG-CD2 4.42Å; F3-F6 HydrophobicContact CG-CE2 4.48Å; F3-F6 PolarHBondContact O-N 3.3Å; S4-F6 VanDerWaalsContact C-N 3.31Å; F6-D8 VanDerWaalsContact C-N 3.32Å; F6-R14 VanDerWaalsContact O-CD 3.23Å; F6-R14 WeakPolarHBondContact O-CD 3.17Å; F6-T17 HydrophobicContact CD2-CG2 4.38Å; F6-T17 HydrophobicContact CE1-CG2 4.29Å; F6-T17 HydrophobicContact CE2-CG2 4.16Å; F6-T17 HydrophobicContact CZ-CG2 4.11Å; F6-E18 HydrophobicContact CE1-CB 3.94Å; F6-E18 HydrophobicContact CE1-CG 4.49Å; F6-E18 HydrophobicContact CZ-CB 4.38Å; F6-I21 HydrophobicContact CD2-CD1 4.42Å; F6-I21 HydrophobicContact CE2-CD1 3.28Å; F6-I21 HydrophobicContact CZ-CD1 3.55Å; F6-R52 WeakPolarHBondContact O-CD 3.48Å; F6-A56 HydrophobicContact CD1-CB 4.13Å; F6-A56 HydrophobicContact CD2-CB 3.83Å; F6-A56 HydrophobicContact CE1-CB 3.91Å; F6-A56 HydrophobicContact CE2-CB 3.6Å; F6-A56 HydrophobicContact CG-CB 4.11Å; F6-A56 HydrophobicContact CZ-CB 3.64Å |
| 7 | D | 81.3 | Confident | 84.7 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 4.7 | 176.8 | -141.7 | 38.4 | 0 | 0 | 0 | 113 | S4 Y5 S50 | S4-D7 PolarHBondContact O-N 2.85Å; Y5-D7 PolarHBondContact O-N 3.19Å; D7-S50 WeakPolarHBondContact OD1-CB 2.75Å; D7-S50 PolarHBondContact OD1-OG 3.22Å; D7-S50 VanDerWaalsContact OD2-CB 3.29Å; D7-S50 WeakPolarHBondContact OD2-CB 2.73Å |
| 8 | D | 87.2 | Confident | 84.9 | Confident | 51 Ų | 51 | 73.6 Ų | 73.6 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | trans | -65.6 | 147.6 | 178.1 | -157.4 | -60 | 0 | 0 | 0 | 110.8 | Y5 F6 N10 V13 R14 | Y5-D8 VanDerWaalsContact O-CB 3.27Å; Y5-D8 WeakPolarHBondContact O-CB 2.97Å; Y5-D8 PolarHBondContact O-N 3.28Å; F6-D8 VanDerWaalsContact C-N 3.32Å; D8-N10 VanDerWaalsContact C-N 3.31Å; D8-N10 PolarHBondContact OD1-N 2.85Å; D8-V13 HydrophobicContact CB-CB 4.49Å; D8-V13 HydrophobicContact CB-CG1 4.19Å; D8-R14 WeakPolarHBondContact O-CD 3.48Å; D8-R14 PolarHBondContact O-NH1 2.71Å | ||
| 9 | T | 84.3 | Confident | 84.9 | Confident | 134 Ų | 134 | 73.8 Ų | 73.8 | 82% | 0.822 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -64.9 | -34 | 173.6 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | R14 | T9-R14 VanDerWaalsContact C-NH1 3.29Å; T9-R14 PolarHBondContact O-NH1 2.9Å |
| 10 | N | 87.7 | Confident | 85.1 | Confident | 73 Ų | 73 | 72 Ų | 72 | 39% | 0.39 | 38% | 0.383 | S | S | . | . | trans | -79.6 | 126.3 | -176.8 | -170.4 | -15.8 | 0 | 0 | 0 | 112.3 | D8 D12 V13 R14 | D8-N10 VanDerWaalsContact C-N 3.31Å; D8-N10 PolarHBondContact OD1-N 2.85Å; N10-D12 PolarHBondContact OD1-N 2.78Å; N10-V13 HydrophobicContact CB-CB 4.27Å; N10-V13 HydrophobicContact CB-CG2 3.92Å; N10-R14 WeakPolarHBondContact O-CG 3.39Å; N10-R14 PolarHBondContact O-N 3.36Å | ||
| 11 | A | 87.8 | Confident | 85.2 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V13 R14 I15 | A11-V13 VanDerWaalsContact C-N 3.32Å; A11-V13 PolarHBondContact O-N 2.88Å; A11-R14 WeakPolarHBondContact O-CB 3.33Å; A11-R14 PolarHBondContact O-N 3.12Å; A11-R14 VanDerWaalsContact O-N 3.11Å; A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 3.23Å |
| 12 | D | 87.8 | Confident | 85.8 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 61% | 0.61 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.9 | -39.5 | -177.8 | -63 | -22.7 | 0 | 0 | 0 | 111.3 | N10 R14 I15 L16 | N10-D12 PolarHBondContact OD1-N 2.78Å; D12-R14 VanDerWaalsContact C-N 3.32Å; D12-R14 PolarHBondContact O-N 3Å; D12-I15 PolarHBondContact O-N 3.48Å; D12-L16 VanDerWaalsContact O-CB 3.27Å; D12-L16 WeakPolarHBondContact O-CB 3.13Å; D12-L16 PolarHBondContact O-N 3.5Å |
| 13 | V | 87.8 | Confident | 86.1 | Confident | 48 Ų | 48 | 62 Ų | 62 | 29% | 0.291 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.5 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | D8 N10 A11 T17 | D8-V13 HydrophobicContact CB-CB 4.49Å; D8-V13 HydrophobicContact CB-CG1 4.19Å; N10-V13 HydrophobicContact CB-CB 4.27Å; N10-V13 HydrophobicContact CB-CG2 3.92Å; A11-V13 VanDerWaalsContact C-N 3.32Å; A11-V13 PolarHBondContact O-N 2.88Å; V13-T17 WeakPolarHBondContact O-CB 3.37Å; V13-T17 PolarHBondContact O-N 3.1Å; V13-T17 PolarHBondContact O-OG1 3.2Å |
| 14 | R | 87.3 | Confident | 86.3 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 22% | 0.223 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 176.6 | -66.6 | -170.7 | -56.7 | -96.9 | 0.3 | 111.9 | F6 D8 T9 N10 A11 D12 T17 E18 | F6-R14 VanDerWaalsContact O-CD 3.23Å; F6-R14 WeakPolarHBondContact O-CD 3.17Å; D8-R14 WeakPolarHBondContact O-CD 3.48Å; D8-R14 PolarHBondContact O-NH1 2.71Å; T9-R14 VanDerWaalsContact C-NH1 3.29Å; T9-R14 PolarHBondContact O-NH1 2.9Å; N10-R14 WeakPolarHBondContact O-CG 3.39Å; N10-R14 PolarHBondContact O-N 3.36Å; A11-R14 WeakPolarHBondContact O-CB 3.33Å; A11-R14 PolarHBondContact O-N 3.12Å; A11-R14 VanDerWaalsContact O-N 3.11Å; D12-R14 VanDerWaalsContact C-N 3.32Å; D12-R14 PolarHBondContact O-N 3Å; R14-T17 PolarHBondContact O-N 3.47Å; R14-E18 PolarHBondContact O-N 3.01Å |
| 15 | I | 86 | Confident | 86.5 | Confident | 92 Ų | 92 | 60.8 Ų | 60.8 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -52.3 | 178.4 | -66.6 | 166.1 | 0 | 0 | 0 | 109.6 | A11 D12 T17 E18 E19 | A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 3.23Å; D12-I15 PolarHBondContact O-N 3.48Å; I15-T17 VanDerWaalsContact C-N 3.25Å; I15-T17 PolarHBondContact O-N 3.16Å; I15-E18 CarbonylContact O-C 3.57Å; I15-E18 WeakPolarHBondContact O-CA 3.19Å; I15-E18 WeakPolarHBondContact O-CB 3.13Å; I15-E18 PolarHBondContact O-N 3.11Å; I15-E19 HydrophobicContact CG2-CG 4.24Å; I15-E19 WeakPolarHBondContact O-CG 3.15Å; I15-E19 PolarHBondContact O-N 2.97Å |
| 16 | L | 87.8 | Confident | 86.3 | Confident | 106 Ų | 106 | 56.9 Ų | 56.9 | 56% | 0.555 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62 | -33.8 | 179.7 | -167.8 | 139.7 | 0 | 0 | 0 | 112.4 | D12 T20 | D12-L16 VanDerWaalsContact O-CB 3.27Å; D12-L16 WeakPolarHBondContact O-CB 3.13Å; D12-L16 PolarHBondContact O-N 3.5Å; L16-T20 HydrophobicContact CD2-CG2 4.23Å; L16-T20 WeakPolarHBondContact O-CB 3.3Å; L16-T20 VanDerWaalsContact O-CG2 3.27Å; L16-T20 WeakPolarHBondContact O-CG2 3.26Å; L16-T20 PolarHBondContact O-N 2.98Å; L16-T20 PolarHBondContact O-OG1 3.41Å |
| 17 | T | 88.7 | Confident | 86.2 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 171.4 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | L2 Y5 F6 V13 R14 I15 T20 I21 | L2-T17 HydrophobicContact CB-CG2 4.24Å; L2-T17 WeakPolarHBondContact O-CG2 3.37Å; Y5-T17 WeakPolarHBondContact CB-OG1 3.26Å; F6-T17 HydrophobicContact CD2-CG2 4.38Å; F6-T17 HydrophobicContact CE1-CG2 4.29Å; F6-T17 HydrophobicContact CE2-CG2 4.16Å; F6-T17 HydrophobicContact CZ-CG2 4.11Å; V13-T17 WeakPolarHBondContact O-CB 3.37Å; V13-T17 PolarHBondContact O-N 3.1Å; V13-T17 PolarHBondContact O-OG1 3.2Å; R14-T17 PolarHBondContact O-N 3.47Å; I15-T17 VanDerWaalsContact C-N 3.25Å; I15-T17 PolarHBondContact O-N 3.16Å; T17-T20 WeakPolarHBondContact CA-OG1 2.84Å; T17-T20 PolarHBondContact O-OG1 2.59Å; T17-I21 HydrophobicContact CG2-CD1 4.06Å; T17-I21 WeakPolarHBondContact O-CB 3.21Å; T17-I21 WeakPolarHBondContact O-CG1 3.26Å; T17-I21 PolarHBondContact O-N 3.37Å |
| 18 | E | 87.6 | Confident | 86 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 175.9 | -171.4 | 156.6 | -169 | 0 | 0 | 111.9 | F6 R14 I15 T20 I21 N22 K60 | F6-E18 HydrophobicContact CE1-CB 3.94Å; F6-E18 HydrophobicContact CE1-CG 4.49Å; F6-E18 HydrophobicContact CZ-CB 4.38Å; R14-E18 PolarHBondContact O-N 3.01Å; I15-E18 CarbonylContact O-C 3.57Å; I15-E18 WeakPolarHBondContact O-CA 3.19Å; I15-E18 WeakPolarHBondContact O-CB 3.13Å; I15-E18 PolarHBondContact O-N 3.11Å; E18-T20 VanDerWaalsContact C-N 3.35Å; E18-T20 PolarHBondContact O-N 3.15Å; E18-I21 PolarHBondContact O-N 2.95Å; E18-N22 PolarHBondContact O-N 3.25Å; E18-N22 PolarHBondContact O-ND2 3.37Å; E18-N22 PolarHBondContact O-OD1 3.42Å; E18-K60 WeakPolarHBondContact OE1-CE 3.14Å; E18-K60 IonicContact OE1-NZ 3.75Å; E18-K60 PolarHBondContact OE1-NZ 3.34Å |
| 19 | E | 86 | Confident | 85.3 | Confident | 78 Ų | 78 | 56 Ų | 56 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 177.4 | -66.8 | -167.6 | 156.6 | 0 | 0 | 111.7 | I15 N22 M23 V968 | I15-E19 HydrophobicContact CG2-CG 4.24Å; I15-E19 WeakPolarHBondContact O-CG 3.15Å; I15-E19 PolarHBondContact O-N 2.97Å; E19-N22 PolarHBondContact O-N 2.9Å; E19-M23 WeakPolarHBondContact O-CG 2.62Å; E19-M23 PolarHBondContact O-N 3.41Å; E19-V968 HydrophobicContact CB-CG1 3.54Å; E19-V968 HydrophobicContact CG-CG1 3.27Å |
| 20 | T | 88.4 | Confident | 84.4 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 178.7 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | L16 T17 E18 M23 I24 | L16-T20 HydrophobicContact CD2-CG2 4.23Å; L16-T20 WeakPolarHBondContact O-CB 3.3Å; L16-T20 VanDerWaalsContact O-CG2 3.27Å; L16-T20 WeakPolarHBondContact O-CG2 3.26Å; L16-T20 PolarHBondContact O-N 2.98Å; L16-T20 PolarHBondContact O-OG1 3.41Å; T17-T20 WeakPolarHBondContact CA-OG1 2.84Å; T17-T20 PolarHBondContact O-OG1 2.59Å; E18-T20 VanDerWaalsContact C-N 3.35Å; E18-T20 PolarHBondContact O-N 3.15Å; T20-M23 HydrophobicContact CG2-CE 3.81Å; T20-M23 PolarHBondContact O-N 2.93Å; T20-I24 VanDerWaalsContact O-CG1 3.25Å; T20-I24 WeakPolarHBondContact O-CG1 2.74Å; T20-I24 PolarHBondContact O-N 2.66Å |
| 21 | I | 87.7 | Confident | 83.4 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 173.3 | -75.2 | 170.4 | 0 | 0 | 0 | 111 | L2 F3 F6 T17 E18 M23 I24 I25 K60 | L2-I21 HydrophobicContact CB-CD1 3.9Å; L2-I21 HydrophobicContact CB-CG1 4.1Å; L2-I21 HydrophobicContact CD1-CG1 3.94Å; F3-I21 HydrophobicContact CE1-CD1 4.37Å; F3-I21 HydrophobicContact CZ-CD1 4.28Å; F6-I21 HydrophobicContact CD2-CD1 4.42Å; F6-I21 HydrophobicContact CE2-CD1 3.28Å; F6-I21 HydrophobicContact CZ-CD1 3.55Å; T17-I21 HydrophobicContact CG2-CD1 4.06Å; T17-I21 WeakPolarHBondContact O-CB 3.21Å; T17-I21 WeakPolarHBondContact O-CG1 3.26Å; T17-I21 PolarHBondContact O-N 3.37Å; E18-I21 PolarHBondContact O-N 2.95Å; I21-M23 VanDerWaalsContact C-N 3.33Å; I21-M23 PolarHBondContact O-N 3.45Å; I21-I24 PolarHBondContact O-N 3.48Å; I21-I25 HydrophobicContact CG2-CD1 3.7Å; I21-I25 HydrophobicContact CG2-CG1 4.35Å; I21-I25 WeakPolarHBondContact O-CG1 3.2Å; I21-I25 PolarHBondContact O-N 2.93Å; I21-K60 HydrophobicContact CG2-CG 4.34Å |
| 22 | N | 87.7 | Confident | 82.2 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 178.1 | -65.8 | -18.5 | 0 | 0 | 0 | 111.6 | E18 E19 I24 I25 R26 K60 V968 I970 | E18-N22 PolarHBondContact O-N 3.25Å; E18-N22 PolarHBondContact O-ND2 3.37Å; E18-N22 PolarHBondContact O-OD1 3.42Å; E19-N22 PolarHBondContact O-N 2.9Å; N22-I24 PolarHBondContact O-N 3.3Å; N22-I25 PolarHBondContact O-N 3.41Å; N22-R26 WeakPolarHBondContact O-CB 3.32Å; N22-R26 WeakPolarHBondContact O-CG 3.44Å; N22-R26 PolarHBondContact O-N 2.94Å; N22-K60 PolarHBondContact ND2-NZ 2.91Å; N22-K60 VanDerWaalsContact OD1-CD 3.32Å; N22-K60 WeakPolarHBondContact OD1-CD 3.09Å; N22-K60 WeakPolarHBondContact OD1-CE 3.48Å; N22-K60 PolarHBondContact OD1-NZ 3.34Å; N22-V968 WeakPolarHBondContact CB-O 3.48Å; N22-V968 PolarHBondContact ND2-O 3.14Å; N22-I970 HydrophobicContact CB-CD1 4.2Å; N22-I970 HydrophobicContact CB-CG1 3.93Å; N22-I970 WeakPolarHBondContact OD1-CD1 3.42Å |
| 23 | M | 86.7 | Confident | 81.5 | Confident | 67 Ų | 67 | 52.5 Ų | 52.5 | 33% | 0.33 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 173.2 | -75.4 | -170.6 | -73.7 | 0 | 0 | 112.3 | E19 T20 I21 S27 R967 V968 | E19-M23 WeakPolarHBondContact O-CG 2.62Å; E19-M23 PolarHBondContact O-N 3.41Å; T20-M23 HydrophobicContact CG2-CE 3.81Å; T20-M23 PolarHBondContact O-N 2.93Å; I21-M23 VanDerWaalsContact C-N 3.33Å; I21-M23 PolarHBondContact O-N 3.45Å; M23-S27 WeakPolarHBondContact O-CB 2.96Å; M23-S27 PolarHBondContact O-N 3.41Å; M23-S27 PolarHBondContact O-OG 3.33Å; M23-R967 VanDerWaalsContact CA-O 3.29Å; M23-R967 WeakPolarHBondContact CA-O 3.36Å; M23-R967 HydrophobicContact CG-CB 4.37Å; M23-R967 VanDerWaalsContact CG-O 3.29Å; M23-R967 WeakPolarHBondContact CG-O 3.27Å; M23-R967 PolarHBondContact N-O 3.16Å; M23-V968 HydrophobicContact CG-CG2 4.23Å; M23-V968 HydrophobicContact SD-CG2 4.39Å |
| 24 | I | 86.1 | Confident | 80.9 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 41% | 0.41 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.2 | -68.3 | 164.1 | 0 | 0 | 0 | 110.1 | L2 T20 I21 N22 S27 S28 I37 | L2-I24 HydrophobicContact CD1-CD1 3.68Å; T20-I24 VanDerWaalsContact O-CG1 3.25Å; T20-I24 WeakPolarHBondContact O-CG1 2.74Å; T20-I24 PolarHBondContact O-N 2.66Å; I21-I24 PolarHBondContact O-N 3.48Å; N22-I24 PolarHBondContact O-N 3.3Å; I24-S27 PolarHBondContact O-N 3.29Å; I24-S27 PolarHBondContact O-OG 3.43Å; I24-S28 WeakPolarHBondContact O-CB 3.46Å; I24-S28 PolarHBondContact O-N 2.97Å; I24-S28 PolarHBondContact O-OG 3.29Å; I24-I37 HydrophobicContact CG2-CD1 3.98Å |
| 25 | I | 84.6 | Confident | 80.5 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 179.1 | -65.1 | 166.4 | 0 | 0 | 0 | 110.7 | I21 N22 S27 S28 L29 I37 K60 I64 I970 | I21-I25 HydrophobicContact CG2-CD1 3.7Å; I21-I25 HydrophobicContact CG2-CG1 4.35Å; I21-I25 WeakPolarHBondContact O-CG1 3.2Å; I21-I25 PolarHBondContact O-N 2.93Å; N22-I25 PolarHBondContact O-N 3.41Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.15Å; I25-S28 PolarHBondContact O-N 3.41Å; I25-S28 VanDerWaalsContact O-N 3.12Å; I25-S28 PolarHBondContact O-OG 2.64Å; I25-L29 HydrophobicContact CG2-CD1 4Å; I25-L29 PolarHBondContact O-N 2.73Å; I25-I37 HydrophobicContact CG1-CD1 4.36Å; I25-I37 HydrophobicContact CG1-CG2 4.24Å; I25-K60 HydrophobicContact CD1-CB 3.82Å; I25-K60 HydrophobicContact CD1-CD 4.26Å; I25-K60 HydrophobicContact CD1-CG 3.98Å; I25-I64 HydrophobicContact CG2-CG2 3.81Å; I25-I970 HydrophobicContact CB-CD1 3.84Å; I25-I970 HydrophobicContact CD1-CD1 3.65Å; I25-I970 HydrophobicContact CG1-CD1 4.35Å; I25-I970 HydrophobicContact CG2-CD1 3.76Å |
| 26 | R | 82.2 | Confident | 80.3 | Confident | 15 Ų | 15 | 56.2 Ų | 56.2 | 6% | 0.057 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.8 | -43.9 | 175.7 | -74.6 | -85.5 | -163.7 | 177.8 | 9.8 | 112.3 | N22 S28 L29 N30 Y966 S969 S974 T975 | N22-R26 WeakPolarHBondContact O-CB 3.32Å; N22-R26 WeakPolarHBondContact O-CG 3.44Å; N22-R26 PolarHBondContact O-N 2.94Å; R26-S28 VanDerWaalsContact C-N 3.32Å; R26-S28 PolarHBondContact O-N 3.21Å; R26-L29 PolarHBondContact O-N 2.79Å; R26-N30 PolarHBondContact O-N 2.66Å; R26-Y966 PolarHBondContact NE-O 3Å; R26-Y966 PolarHBondContact NH1-OH 3.39Å; R26-Y966 PolarHBondContact NH2-O 3.13Å; R26-S969 VanDerWaalsContact CZ-O 3.23Å; R26-S969 PolarHBondContact NE-O 3.38Å; R26-S969 PolarHBondContact NH2-O 3.44Å; R26-S974 PolarHBondContact NH2-OG 2.89Å; R26-T975 PolarHBondContact NH1-OG1 2.9Å; R26-T975 PolarHBondContact NH2-OG1 3.45Å |
| 27 | S | 80 | Confident | 80.2 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 176.9 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | M23 I24 I25 N30 D31 | M23-S27 WeakPolarHBondContact O-CB 2.96Å; M23-S27 PolarHBondContact O-N 3.41Å; M23-S27 PolarHBondContact O-OG 3.33Å; I24-S27 PolarHBondContact O-N 3.29Å; I24-S27 PolarHBondContact O-OG 3.43Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.15Å; S27-N30 PolarHBondContact O-N 3.36Å; S27-D31 PolarHBondContact O-N 3.45Å |
| 28 | S | 76.3 | Confident | 80 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -75 | -27.5 | -179.2 | 75 | 0 | 0 | 0 | 0 | 114.4 | I24 I25 R26 N30 T32 N33 I37 | I24-S28 WeakPolarHBondContact O-CB 3.46Å; I24-S28 PolarHBondContact O-N 2.97Å; I24-S28 PolarHBondContact O-OG 3.29Å; I25-S28 PolarHBondContact O-N 3.41Å; I25-S28 VanDerWaalsContact O-N 3.12Å; I25-S28 PolarHBondContact O-OG 2.64Å; R26-S28 VanDerWaalsContact C-N 3.32Å; R26-S28 PolarHBondContact O-N 3.21Å; S28-N30 VanDerWaalsContact C-N 3.28Å; S28-T32 PolarHBondContact O-N 3.07Å; S28-N33 PolarHBondContact O-N 3.47Å; S28-I37 VanDerWaalsContact CB-CD1 3.47Å; S28-I37 WeakPolarHBondContact OG-CD1 3.32Å |
| 29 | L | 72.1 | Confident | 79.9 | Confident | 64 Ų | 64 | 51 Ų | 51 | 34% | 0.335 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 170.1 | -83.6 | 159.7 | 0 | 0 | 0 | 109.9 | I25 R26 I34 T67 | I25-L29 HydrophobicContact CG2-CD1 4Å; I25-L29 PolarHBondContact O-N 2.73Å; R26-L29 PolarHBondContact O-N 2.79Å; L29-I34 HydrophobicContact CD2-CD1 3.18Å; L29-I34 HydrophobicContact CG-CD1 3.73Å; L29-T67 HydrophobicContact CD2-CG2 4.11Å |
| 30 | N | 66.9 | Low | 79.8 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77.4 | -31.7 | -179.7 | -62.8 | -6.7 | 0 | 0 | 0 | 113 | R26 S27 S28 | R26-N30 PolarHBondContact O-N 2.66Å; S27-N30 PolarHBondContact O-N 3.36Å; S28-N30 VanDerWaalsContact C-N 3.28Å |
| 31 | D | 65.3 | Low | 79.7 | Confident | 83 Ų | 83 | 48.7 Ų | 48.7 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 21.2 | -174.4 | -73.7 | -21 | 0 | 0 | 0 | 114.7 | S27 N33 R1017 | S27-D31 PolarHBondContact O-N 3.45Å; D31-N33 PolarHBondContact O-N 3.44Å; D31-N33 PolarHBondContact O-ND2 2.97Å; D31-R1017 IonicContact OD1-NH1 3.93Å; D31-R1017 PolarHBondContact OD1-NH1 3.22Å; D31-R1017 VanDerWaalsContact OD1-NH1 3.15Å |
| 32 | T | 63.4 | Low | 79.5 | Confident | 50 Ų | 50 | 48.5 Ų | 48.5 | 31% | 0.307 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 1.8 | 172.5 | 66.9 | 0 | 0 | 0 | 0 | 117.5 | S28 I34 L1142 V1145 | S28-T32 PolarHBondContact O-N 3.07Å; T32-I34 VanDerWaalsContact C-N 3.34Å; T32-I34 PolarHBondContact O-N 3.41Å; T32-L1142 HydrophobicContact CG2-CD2 4.36Å; T32-V1145 HydrophobicContact CG2-CB 4.21Å; T32-V1145 HydrophobicContact CG2-CG1 3.91Å; T32-V1145 HydrophobicContact CG2-CG2 4Å |
| 33 | N | 71.9 | Confident | 79.4 | Confident | 111 Ų | 111 | 54 Ų | 54 | 59% | 0.594 | 27% | 0.272 | S | S | * | . | trans | -91.2 | 22.6 | -176.9 | -76.7 | -48.8 | 0 | 0 | 0 | 114.6 | S28 D31 H35 R36 | S28-N33 PolarHBondContact O-N 3.47Å; D31-N33 PolarHBondContact O-N 3.44Å; D31-N33 PolarHBondContact O-ND2 2.97Å; N33-H35 VanDerWaalsContact C-N 3.29Å; N33-H35 PolarHBondContact O-N 3.06Å; N33-R36 PolarHBondContact O-N 3.1Å | ||
| 34 | I | 75.6 | Confident | 79.3 | Confident | 20 Ų | 20 | 53 Ų | 53 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -30.1 | -171.2 | -164.3 | 149.7 | 0 | 0 | 0 | 114.6 | L29 T32 R36 I37 Q38 I64 T67 | L29-I34 HydrophobicContact CD2-CD1 3.18Å; L29-I34 HydrophobicContact CG-CD1 3.73Å; T32-I34 VanDerWaalsContact C-N 3.34Å; T32-I34 PolarHBondContact O-N 3.41Å; I34-R36 PolarHBondContact O-N 3.32Å; I34-I37 PolarHBondContact O-N 3.37Å; I34-I37 VanDerWaalsContact O-N 3.08Å; I34-Q38 HydrophobicContact CG1-CG 4.28Å; I34-Q38 WeakPolarHBondContact O-CG 3.4Å; I34-Q38 PolarHBondContact O-N 3.34Å; I34-I64 HydrophobicContact CD1-CB 4.48Å; I34-T67 HydrophobicContact CD1-CG2 4.17Å; I34-T67 WeakPolarHBondContact CD1-OG1 3.21Å |
| 35 | H | 78.5 | Confident | 79.2 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.6 | -35.7 | -179.3 | -179.3 | -86.8 | 0 | 0 | 0 | 112.3 | N33 Q38 T39 K72 | N33-H35 VanDerWaalsContact C-N 3.29Å; N33-H35 PolarHBondContact O-N 3.06Å; H35-Q38 PolarHBondContact O-N 3.35Å; H35-T39 WeakPolarHBondContact O-CG2 3.45Å; H35-T39 PolarHBondContact O-N 3.37Å; H35-T39 PolarHBondContact O-OG1 2.75Å; H35-K72 PolarHBondContact CD2-NZ 3.29Å; H35-K72 PolarHBondContact NE2-NZ 3.44Å |
| 36 | R | 83.5 | Confident | 79.3 | Confident | 183 Ų | 183 | 56.5 Ų | 56.5 | 69% | 0.691 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.1 | -45.5 | 177.8 | -174.8 | 175.5 | 176.7 | 175.8 | 0.2 | 110.7 | N33 I34 T39 D40 | N33-R36 PolarHBondContact O-N 3.1Å; I34-R36 PolarHBondContact O-N 3.32Å; R36-T39 PolarHBondContact O-N 3.28Å; R36-T39 PolarHBondContact O-OG1 3.18Å; R36-D40 WeakPolarHBondContact O-CB 3.26Å; R36-D40 VanDerWaalsContact O-CG 3.3Å; R36-D40 PolarHBondContact O-N 2.77Å |
| 37 | I | 84.1 | Confident | 79.4 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 14% | 0.138 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 176.8 | -58.2 | -153.4 | 0 | 0 | 0 | 111 | I24 I25 S28 I34 T39 D40 L41 I64 | I24-I37 HydrophobicContact CG2-CD1 3.98Å; I25-I37 HydrophobicContact CG1-CD1 4.36Å; I25-I37 HydrophobicContact CG1-CG2 4.24Å; S28-I37 VanDerWaalsContact CB-CD1 3.47Å; S28-I37 WeakPolarHBondContact OG-CD1 3.32Å; I34-I37 PolarHBondContact O-N 3.37Å; I34-I37 VanDerWaalsContact O-N 3.08Å; I37-T39 VanDerWaalsContact C-N 3.29Å; I37-T39 PolarHBondContact O-N 3.17Å; I37-D40 PolarHBondContact O-N 3.09Å; I37-D40 VanDerWaalsContact O-N 3.15Å; I37-L41 HydrophobicContact CG2-CD1 3.79Å; I37-L41 HydrophobicContact CG2-CG 4.05Å; I37-L41 WeakPolarHBondContact O-CB 3.42Å; I37-L41 WeakPolarHBondContact O-CG 3.01Å; I37-L41 PolarHBondContact O-N 3.3Å; I37-I64 HydrophobicContact CG2-CD1 4.17Å |
| 38 | Q | 85.4 | Confident | 79.5 | Confident | 5 Ų | 5 | 65 Ų | 65 | 2% | 0.023 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.3 | -45 | 176 | -68.3 | 167.3 | -8.8 | 0 | 0 | 111.4 | I34 H35 C42 I64 T67 I68 F76 | I34-Q38 HydrophobicContact CG1-CG 4.28Å; I34-Q38 WeakPolarHBondContact O-CG 3.4Å; I34-Q38 PolarHBondContact O-N 3.34Å; H35-Q38 PolarHBondContact O-N 3.35Å; Q38-C42 VanDerWaalsContact O-CB 3.28Å; Q38-C42 WeakPolarHBondContact O-CB 3.36Å; Q38-C42 PolarHBondContact O-N 3.22Å; Q38-C42 VanDerWaalsContact O-N 3.08Å; Q38-I64 HydrophobicContact CG-CD1 3.83Å; Q38-I64 HydrophobicContact CG-CG1 4.47Å; Q38-T67 PolarHBondContact NE2-O 3.4Å; Q38-T67 PolarHBondContact NE2-OG1 2.94Å; Q38-I68 HydrophobicContact CG-CG1 4.38Å; Q38-F76 HydrophobicContact CB-CE1 4.14Å; Q38-F76 HydrophobicContact CB-CZ 3.89Å |
| 39 | T | 84.7 | Confident | 79.8 | Confident | 37 Ų | 37 | 65.8 Ų | 65.8 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 177.5 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | H35 R36 I37 C42 K43 F76 | H35-T39 WeakPolarHBondContact O-CG2 3.45Å; H35-T39 PolarHBondContact O-N 3.37Å; H35-T39 PolarHBondContact O-OG1 2.75Å; R36-T39 PolarHBondContact O-N 3.28Å; R36-T39 PolarHBondContact O-OG1 3.18Å; I37-T39 VanDerWaalsContact C-N 3.29Å; I37-T39 PolarHBondContact O-N 3.17Å; T39-C42 PolarHBondContact O-N 2.92Å; T39-K43 VanDerWaalsContact O-CG 3.25Å; T39-K43 WeakPolarHBondContact O-CG 3.22Å; T39-K43 PolarHBondContact O-N 3.15Å; T39-F76 HydrophobicContact CG2-CZ 4.08Å |
| 40 | D | 84.8 | Confident | 80.6 | Confident | 62 Ų | 62 | 63.9 Ų | 63.9 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -73.9 | -39.2 | -177.8 | -70.6 | -18.4 | 0 | 0 | 0 | 111.3 | R36 I37 K43 E44 | R36-D40 WeakPolarHBondContact O-CB 3.26Å; R36-D40 VanDerWaalsContact O-CG 3.3Å; R36-D40 PolarHBondContact O-N 2.77Å; I37-D40 PolarHBondContact O-N 3.09Å; I37-D40 VanDerWaalsContact O-N 3.15Å; D40-K43 PolarHBondContact O-N 2.91Å; D40-K43 IonicContact OD1-NZ 2.94Å; D40-K43 PolarHBondContact OD1-NZ 3.33Å; D40-E44 PolarHBondContact O-N 3.49Å |
| 41 | L | 86.6 | Confident | 81.4 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 169.8 | -70.1 | 175.6 | 0 | 0 | 0 | 111.6 | F3 I37 K43 E44 L45 K60 F61 I64 | F3-L41 HydrophobicContact CE1-CD2 4.44Å; F3-L41 HydrophobicContact CE2-CD2 4Å; F3-L41 HydrophobicContact CZ-CD2 3.44Å; F3-L41 VanDerWaalsContact CZ-CD2 3.44Å; I37-L41 HydrophobicContact CG2-CD1 3.79Å; I37-L41 HydrophobicContact CG2-CG 4.05Å; I37-L41 WeakPolarHBondContact O-CB 3.42Å; I37-L41 WeakPolarHBondContact O-CG 3.01Å; I37-L41 PolarHBondContact O-N 3.3Å; L41-K43 VanDerWaalsContact C-N 3.34Å; L41-K43 PolarHBondContact O-N 3.33Å; L41-E44 PolarHBondContact O-N 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3.3Å; L41-K60 HydrophobicContact CD1-CB 4.32Å; L41-K60 HydrophobicContact CD2-CB 4.46Å; L41-F61 HydrophobicContact CB-CB 4.45Å; L41-F61 HydrophobicContact CB-CD2 4.19Å; L41-F61 HydrophobicContact CD1-CB 4.34Å; L41-I64 HydrophobicContact CD1-CD1 3.69Å |
| 42 | C | 83.1 | Confident | 82.5 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 5% | 0.054 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 178.5 | -162.2 | 0 | 0 | 0 | 0 | 112.1 | Q38 T39 L45 K46 F76 | Q38-C42 VanDerWaalsContact O-CB 3.28Å; Q38-C42 WeakPolarHBondContact O-CB 3.36Å; Q38-C42 PolarHBondContact O-N 3.22Å; Q38-C42 VanDerWaalsContact O-N 3.08Å; T39-C42 PolarHBondContact O-N 2.92Å; C42-L45 PolarHBondContact O-N 3.08Å; C42-K46 WeakPolarHBondContact O-CB 3.31Å; C42-K46 PolarHBondContact O-N 2.94Å; C42-F76 HydrophobicContact CB-CE1 4.41Å |
| 43 | K | 85.6 | Confident | 83.6 | Confident | 124 Ų | 124 | 62.5 Ų | 62.5 | 54% | 0.539 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 172.4 | -73.5 | 170 | -159.1 | 156.4 | 0 | 112.1 | T39 D40 L41 K46 R47 | T39-K43 VanDerWaalsContact O-CG 3.25Å; T39-K43 WeakPolarHBondContact O-CG 3.22Å; T39-K43 PolarHBondContact O-N 3.15Å; D40-K43 PolarHBondContact O-N 2.91Å; D40-K43 IonicContact OD1-NZ 2.94Å; D40-K43 PolarHBondContact OD1-NZ 3.33Å; L41-K43 VanDerWaalsContact C-N 3.34Å; L41-K43 PolarHBondContact O-N 3.33Å; K43-K46 WeakPolarHBondContact O-CB 3.33Å; K43-K46 PolarHBondContact O-N 3.29Å; K43-R47 PolarHBondContact O-N 2.77Å |
| 44 | E | 84.5 | Confident | 84.4 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.6 | -38 | 176.8 | -71.5 | -66.1 | 176.8 | 0 | 0 | 111.7 | F3 D40 L41 K46 R47 N48 | F3-E44 HydrophobicContact CD2-CG 3.8Å; F3-E44 HydrophobicContact CE2-CG 4.19Å; F3-E44 HydrophobicContact CG-CG 4.3Å; D40-E44 PolarHBondContact O-N 3.49Å; L41-E44 PolarHBondContact O-N 3.28Å; E44-K46 VanDerWaalsContact C-N 3.33Å; E44-K46 PolarHBondContact O-N 3.18Å; E44-R47 WeakPolarHBondContact O-CB 3.35Å; E44-R47 PolarHBondContact O-N 2.86Å; E44-N48 PolarHBondContact O-N 3.37Å |
| 45 | L | 85.1 | Confident | 85 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 170.9 | -69.8 | 172 | 0 | 0 | 0 | 111.9 | L41 C42 R47 N48 V54 A57 L58 F61 F80 I83 L87 | L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3.3Å; C42-L45 PolarHBondContact O-N 3.08Å; L45-R47 VanDerWaalsContact C-N 3.31Å; L45-R47 PolarHBondContact O-N 2.95Å; L45-N48 PolarHBondContact O-N 2.98Å; L45-V54 HydrophobicContact CD2-CG1 4.23Å; L45-A57 HydrophobicContact CD2-CB 3.83Å; L45-A57 HydrophobicContact CG-CB 4.07Å; L45-L58 HydrophobicContact CD1-CD1 4.33Å; L45-L58 HydrophobicContact CD2-CB 4.03Å; L45-L58 HydrophobicContact CD2-CD1 4.49Å; L45-F61 HydrophobicContact CD1-CB 4.24Å; L45-F61 HydrophobicContact CD1-CD1 4.38Å; L45-F61 HydrophobicContact CD1-CG 4.29Å; L45-F80 HydrophobicContact CD1-CE2 4.13Å; L45-I83 HydrophobicContact CB-CG2 3.89Å; L45-L87 HydrophobicContact CD2-CD1 4.47Å |
| 46 | K | 85.5 | Confident | 85.4 | Confident | 153 Ų | 153 | 58.4 Ų | 58.4 | 67% | 0.665 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66 | -31.1 | 175.1 | -169.1 | 176.8 | 179.4 | 178.3 | 0 | 113 | C42 K43 E44 N48 I83 | C42-K46 WeakPolarHBondContact O-CB 3.31Å; C42-K46 PolarHBondContact O-N 2.94Å; K43-K46 WeakPolarHBondContact O-CB 3.33Å; K43-K46 PolarHBondContact O-N 3.29Å; E44-K46 VanDerWaalsContact C-N 3.33Å; E44-K46 PolarHBondContact O-N 3.18Å; K46-N48 PolarHBondContact O-N 2.98Å; K46-I83 HydrophobicContact CB-CD1 3.8Å; K46-I83 HydrophobicContact CB-CG1 4.13Å; K46-I83 HydrophobicContact CG-CD1 4.34Å; K46-I83 HydrophobicContact CG-CG1 4.31Å |
| 47 | R | 84.6 | Confident | 85.7 | Confident | 189 Ų | 189 | 49.7 Ų | 49.7 | 71% | 0.713 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65.9 | -25.3 | 176.5 | -173.2 | 179.7 | 173.6 | 169 | -0.5 | 112.1 | K43 E44 L45 | K43-R47 PolarHBondContact O-N 2.77Å; E44-R47 WeakPolarHBondContact O-CB 3.35Å; E44-R47 PolarHBondContact O-N 2.86Å; L45-R47 VanDerWaalsContact C-N 3.31Å; L45-R47 PolarHBondContact O-N 2.95Å |
| 48 | N | 82.3 | Confident | 85.9 | Confident | 63 Ų | 63 | 48.5 Ų | 48.5 | 34% | 0.337 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 55.4 | 177.6 | -164.9 | 22.6 | 0 | 0 | 0 | 113.1 | E44 L45 K46 R90 | E44-N48 PolarHBondContact O-N 3.37Å; L45-N48 PolarHBondContact O-N 2.98Å; K46-N48 PolarHBondContact O-N 2.98Å; N48-R90 WeakPolarHBondContact OD1-CD 3.25Å; N48-R90 PolarHBondContact OD1-NH1 3.29Å |
| 49 | G | 83 | Confident | 86 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | trans | -74.1 | -148.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | R90 | G49-R90 PolarHBondContact O-NH1 3.35Š| ||
| 50 | S | 88.3 | Confident | 86.2 | Confident | 24 Ų | 24 | 50 Ų | 50 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | trans | -63.4 | 151.8 | 178.6 | 91.3 | 0 | 0 | 0 | 0 | 111.6 | D7 R52 S53 V54 | D7-S50 WeakPolarHBondContact OD1-CB 2.75Å; D7-S50 PolarHBondContact OD1-OG 3.22Å; D7-S50 VanDerWaalsContact OD2-CB 3.29Å; D7-S50 WeakPolarHBondContact OD2-CB 2.73Å; S50-R52 PolarHBondContact O-N 3.17Å; S50-S53 PolarHBondContact O-N 2.88Å; S50-S53 VanDerWaalsContact O-N 3.11Å; S50-S53 PolarHBondContact OG-N 3.38Å; S50-V54 WeakPolarHBondContact O-CG2 3.25Å; S50-V54 PolarHBondContact O-N 3.49Å | ||
| 51 | P | 84.1 | Confident | 86.4 | Confident | 38 Ų | 38 | 47 Ų | 47 | 25% | 0.247 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -34.8 | -176 | 22.3 | -32.9 | 0 | 0 | 0 | 112.6 | V54 R55 I95 | P51-V54 PolarHBondContact O-N 2.73Å; P51-R55 WeakPolarHBondContact O-CB 3.28Å; P51-R55 PolarHBondContact O-N 3.32Å; P51-I95 HydrophobicContact CB-CD1 4.04Å; P51-I95 HydrophobicContact CB-CG1 4.14Å |
| 52 | R | 87.1 | Confident | 86.4 | Confident | 99 Ų | 99 | 47 Ų | 47 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.6 | -43.3 | 175.9 | -68.3 | 179.4 | 179.1 | 172.8 | 0.3 | 112.3 | F6 S50 R55 A56 M94 | F6-R52 WeakPolarHBondContact O-CD 3.48Å; S50-R52 PolarHBondContact O-N 3.17Å; R52-R55 PolarHBondContact O-N 2.81Å; R52-A56 WeakPolarHBondContact O-CB 3.35Å; R52-A56 PolarHBondContact O-N 3.5Å; R52-M94 HydrophobicContact CG-CE 4.46Å; R52-M94 HydrophobicContact CG-SD 4.17Å |
| 53 | S | 88.3 | Confident | 86.4 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | S50 A57 | S50-S53 PolarHBondContact O-N 2.88Å; S50-S53 VanDerWaalsContact O-N 3.11Å; S50-S53 PolarHBondContact OG-N 3.38Å; S53-A57 WeakPolarHBondContact O-CB 3.38Å; S53-A57 PolarHBondContact O-N 3.07Å |
| 54 | V | 87.7 | Confident | 86.3 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -44.8 | 177.5 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | L45 S50 P51 A57 L58 L87 | L45-V54 HydrophobicContact CD2-CG1 4.23Å; S50-V54 WeakPolarHBondContact O-CG2 3.25Å; S50-V54 PolarHBondContact O-N 3.49Å; P51-V54 PolarHBondContact O-N 2.73Å; V54-A57 PolarHBondContact O-N 3.12Å; V54-L58 WeakPolarHBondContact O-CB 3.48Å; V54-L58 PolarHBondContact O-N 2.84Å; V54-L87 HydrophobicContact CG1-CD1 4.39Å; V54-L87 HydrophobicContact CG1-CD2 3.65Å |
| 55 | R | 88.9 | Confident | 86.3 | Confident | 109 Ų | 109 | 40.5 Ų | 40.5 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -54.8 | -55 | 174.6 | -171.9 | -174.7 | 94.5 | 152.8 | 4.7 | 110.7 | P51 R52 A57 L58 T59 M94 C98 | P51-R55 WeakPolarHBondContact O-CB 3.28Å; P51-R55 PolarHBondContact O-N 3.32Å; R52-R55 PolarHBondContact O-N 2.81Å; R55-A57 PolarHBondContact O-N 3.21Å; R55-L58 PolarHBondContact O-N 2.7Å; R55-T59 PolarHBondContact O-N 3.1Å; R55-T59 PolarHBondContact O-OG1 3.38Å; R55-M94 HydrophobicContact CB-SD 4.47Å; R55-C98 HydrophobicContact CG-CB 3.97Å |
| 56 | A | 86.7 | Confident | 86 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57 | -49.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F3 F6 R52 L58 T59 K60 | F3-A56 HydrophobicContact CE1-CB 4.49Å; F6-A56 HydrophobicContact CD1-CB 4.13Å; F6-A56 HydrophobicContact CD2-CB 3.83Å; F6-A56 HydrophobicContact CE1-CB 3.91Å; F6-A56 HydrophobicContact CE2-CB 3.6Å; F6-A56 HydrophobicContact CG-CB 4.11Å; F6-A56 HydrophobicContact CZ-CB 3.64Å; R52-A56 WeakPolarHBondContact O-CB 3.35Å; R52-A56 PolarHBondContact O-N 3.5Å; A56-L58 VanDerWaalsContact C-N 3.33Å; A56-L58 PolarHBondContact O-N 3.46Å; A56-T59 PolarHBondContact O-N 2.87Å; A56-K60 VanDerWaalsContact O-CG 3.27Å; A56-K60 WeakPolarHBondContact O-CG 3.18Å; A56-K60 PolarHBondContact O-N 2.68Å |
| 57 | A | 89 | Confident | 85.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -40.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F3 L45 S53 V54 R55 F61 | F3-A57 HydrophobicContact CD1-CB 4.45Å; F3-A57 HydrophobicContact CE1-CB 3.84Å; F3-A57 HydrophobicContact CZ-CB 4.32Å; L45-A57 HydrophobicContact CD2-CB 3.83Å; L45-A57 HydrophobicContact CG-CB 4.07Å; S53-A57 WeakPolarHBondContact O-CB 3.38Å; S53-A57 PolarHBondContact O-N 3.07Å; V54-A57 PolarHBondContact O-N 3.12Å; R55-A57 PolarHBondContact O-N 3.21Å; A57-F61 WeakPolarHBondContact O-CB 3.4Å; A57-F61 PolarHBondContact O-N 2.97Å |
| 58 | L | 88.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.8 | -45.1 | -179.7 | -173.9 | 63.3 | 0 | 0 | 0 | 111.8 | L45 V54 R55 A56 K60 F61 A62 F80 C98 I99 L106 | L45-L58 HydrophobicContact CD1-CD1 4.33Å; L45-L58 HydrophobicContact CD2-CB 4.03Å; L45-L58 HydrophobicContact CD2-CD1 4.49Å; V54-L58 WeakPolarHBondContact O-CB 3.48Å; V54-L58 PolarHBondContact O-N 2.84Å; R55-L58 PolarHBondContact O-N 2.7Å; A56-L58 VanDerWaalsContact C-N 3.33Å; A56-L58 PolarHBondContact O-N 3.46Å; L58-K60 PolarHBondContact O-N 2.99Å; L58-F61 PolarHBondContact O-N 3.08Å; L58-A62 WeakPolarHBondContact O-CB 3.3Å; L58-A62 PolarHBondContact O-N 3.44Å; L58-F80 HydrophobicContact CD1-CE2 4.37Å; L58-F80 HydrophobicContact CD1-CZ 4.12Å; L58-C98 HydrophobicContact CD2-CB 4.43Å; L58-I99 HydrophobicContact CD2-CG1 3.65Å; L58-L106 HydrophobicContact CD1-CD1 4.02Å |
| 59 | T | 88 | Confident | 85.1 | Confident | 60 Ų | 60 | 31.8 Ų | 31.8 | 37% | 0.368 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 178 | -44.4 | 0 | 0 | 0 | 0 | 111.1 | R55 A56 A62 A63 | R55-T59 PolarHBondContact O-N 3.1Å; R55-T59 PolarHBondContact O-OG1 3.38Å; A56-T59 PolarHBondContact O-N 2.87Å; T59-A62 PolarHBondContact O-N 3.05Å; T59-A63 PolarHBondContact O-N 3.09Å; T59-A63 VanDerWaalsContact O-N 3.09Å |
| 60 | K | 88.5 | Confident | 84.6 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 6% | 0.057 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.2 | -35.5 | 177 | -58.1 | -46.2 | 167.3 | -173.4 | 0 | 112.2 | E18 I21 N22 I25 L41 A56 L58 I64 I970 | E18-K60 WeakPolarHBondContact OE1-CE 3.14Å; E18-K60 IonicContact OE1-NZ 3.75Å; E18-K60 PolarHBondContact OE1-NZ 3.34Å; I21-K60 HydrophobicContact CG2-CG 4.34Å; N22-K60 PolarHBondContact ND2-NZ 2.91Å; N22-K60 VanDerWaalsContact OD1-CD 3.32Å; N22-K60 WeakPolarHBondContact OD1-CD 3.09Å; N22-K60 WeakPolarHBondContact OD1-CE 3.48Å; N22-K60 PolarHBondContact OD1-NZ 3.34Å; I25-K60 HydrophobicContact CD1-CB 3.82Å; I25-K60 HydrophobicContact CD1-CD 4.26Å; I25-K60 HydrophobicContact CD1-CG 3.98Å; L41-K60 HydrophobicContact CD1-CB 4.32Å; L41-K60 HydrophobicContact CD2-CB 4.46Å; A56-K60 VanDerWaalsContact O-CG 3.27Å; A56-K60 WeakPolarHBondContact O-CG 3.18Å; A56-K60 PolarHBondContact O-N 2.68Å; L58-K60 PolarHBondContact O-N 2.99Å; K60-I64 PolarHBondContact O-N 3.29Å; K60-I970 HydrophobicContact CD-CD1 4.01Å |
| 61 | F | 89.1 | Confident | 84 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 175.3 | -176.4 | -104.2 | 0 | 0 | 0 | 112 | L41 L45 A57 L58 A63 I64 V65 I68 F76 F80 L106 | L41-F61 HydrophobicContact CB-CB 4.45Å; L41-F61 HydrophobicContact CB-CD2 4.19Å; L41-F61 HydrophobicContact CD1-CB 4.34Å; L45-F61 HydrophobicContact CD1-CB 4.24Å; L45-F61 HydrophobicContact CD1-CD1 4.38Å; L45-F61 HydrophobicContact CD1-CG 4.29Å; A57-F61 WeakPolarHBondContact O-CB 3.4Å; A57-F61 PolarHBondContact O-N 2.97Å; L58-F61 PolarHBondContact O-N 3.08Å; F61-A63 VanDerWaalsContact C-N 3.33Å; F61-A63 PolarHBondContact O-N 3.47Å; F61-I64 WeakPolarHBondContact O-CG1 3.49Å; F61-I64 PolarHBondContact O-N 2.91Å; F61-V65 HydrophobicContact CD1-CG2 4.28Å; F61-V65 HydrophobicContact CE1-CG2 3.73Å; F61-V65 HydrophobicContact CZ-CG2 4.02Å; F61-V65 PolarHBondContact O-N 2.92Å; F61-V65 VanDerWaalsContact O-N 3.08Å; F61-I68 HydrophobicContact CE2-CD1 4.37Å; F61-I68 HydrophobicContact CZ-CD1 4.06Å; F61-F76 HydrophobicContact CE2-CD1 4.46Å; F61-F76 HydrophobicContact CE2-CE1 4.46Å; F61-F76 HydrophobicContact CZ-CD1 4.32Å; F61-F80 HydrophobicContact CD1-CE2 4.17Å; F61-F80 HydrophobicContact CE1-CD2 4.06Å; F61-F80 AromaticContact CE1-CE2 3.97Å; F61-F80 HydrophobicContact CE1-CE2 3.97Å; F61-L106 HydrophobicContact CD1-CD2 3.82Å; F61-L106 HydrophobicContact CE1-CD2 4Å |
| 62 | A | 86.1 | Confident | 83.7 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L58 T59 I64 V65 C102 L106 | L58-A62 WeakPolarHBondContact O-CB 3.3Å; L58-A62 PolarHBondContact O-N 3.44Å; T59-A62 PolarHBondContact O-N 3.05Å; A62-I64 PolarHBondContact O-N 3.24Å; A62-V65 PolarHBondContact O-N 3.29Å; A62-C102 HydrophobicContact CB-CB 3.76Å; A62-L106 HydrophobicContact CB-CD1 4.49Å; A62-L106 HydrophobicContact CB-CD2 3.98Å; A62-L106 HydrophobicContact CB-CG 4Å |
| 63 | A | 82.8 | Confident | 83.4 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 32% | 0.322 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.1 | -26.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T59 F61 I970 | T59-A63 PolarHBondContact O-N 3.09Å; T59-A63 VanDerWaalsContact O-N 3.09Å; F61-A63 VanDerWaalsContact C-N 3.33Å; F61-A63 PolarHBondContact O-N 3.47Å; A63-I970 HydrophobicContact CB-CG2 4.14Å |
| 64 | I | 84.8 | Confident | 83.2 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -107.9 | 3.2 | -179.5 | 68.8 | 174.5 | 0 | 0 | 0 | 113.6 | I25 I34 I37 Q38 L41 K60 F61 A62 E66 T67 | I25-I64 HydrophobicContact CG2-CG2 3.81Å; I34-I64 HydrophobicContact CD1-CB 4.48Å; I37-I64 HydrophobicContact CG2-CD1 4.17Å; Q38-I64 HydrophobicContact CG-CD1 3.83Å; Q38-I64 HydrophobicContact CG-CG1 4.47Å; L41-I64 HydrophobicContact CD1-CD1 3.69Å; K60-I64 PolarHBondContact O-N 3.29Å; F61-I64 WeakPolarHBondContact O-CG1 3.49Å; F61-I64 PolarHBondContact O-N 2.91Å; A62-I64 PolarHBondContact O-N 3.24Å; I64-E66 VanDerWaalsContact C-N 3.26Å; I64-E66 PolarHBondContact O-N 3.34Å; I64-T67 WeakPolarHBondContact O-CB 3.43Å; I64-T67 PolarHBondContact O-N 2.99Å; I64-T67 VanDerWaalsContact O-N 3.09Å; I64-T67 PolarHBondContact O-OG1 2.82Å |
| 65 | V | 83.3 | Confident | 83 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -63.8 | -33.1 | -168.4 | 98.1 | 0 | 0 | 0 | 0 | 112.7 | F61 A62 T67 I68 R105 L106 T109 L110 | F61-V65 HydrophobicContact CD1-CG2 4.28Å; F61-V65 HydrophobicContact CE1-CG2 3.73Å; F61-V65 HydrophobicContact CZ-CG2 4.02Å; F61-V65 PolarHBondContact O-N 2.92Å; F61-V65 VanDerWaalsContact O-N 3.08Å; A62-V65 PolarHBondContact O-N 3.29Å; V65-T67 PolarHBondContact O-N 3.5Å; V65-I68 HydrophobicContact CG2-CD1 3.81Å; V65-I68 WeakPolarHBondContact O-CB 3.14Å; V65-I68 VanDerWaalsContact O-CG1 3.28Å; V65-I68 WeakPolarHBondContact O-CG1 3.02Å; V65-I68 PolarHBondContact O-N 3Å; V65-I68 VanDerWaalsContact O-N 3.14Å; V65-R105 WeakPolarHBondContact CG1-O 3.32Å; V65-L106 HydrophobicContact CB-CD2 4.22Å; V65-L106 HydrophobicContact CG2-CD2 3.81Å; V65-T109 HydrophobicContact CG1-CG2 4.4Å; V65-L110 HydrophobicContact CG2-CD1 3.99Å; V65-L110 HydrophobicContact CG2-CG 4.3Å |
| 66 | E | 79.2 | Confident | 82.7 | Confident | 107 Ų | 107 | 41.9 Ų | 41.9 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -65.5 | -25 | -179.9 | -63.1 | -175.6 | 171.7 | 0 | 0 | 112.2 | I64 I68 R73 | I64-E66 VanDerWaalsContact C-N 3.26Å; I64-E66 PolarHBondContact O-N 3.34Å; E66-I68 PolarHBondContact O-N 3.07Å; E66-R73 PolarHBondContact O-NH2 3.27Å |
| 67 | T | 78.7 | Confident | 82.6 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 26% | 0.258 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -75.9 | -3.6 | 177.8 | 72 | 0 | 0 | 0 | 0 | 113.6 | L29 I34 Q38 I64 V65 K69 | L29-T67 HydrophobicContact CD2-CG2 4.11Å; I34-T67 HydrophobicContact CD1-CG2 4.17Å; I34-T67 WeakPolarHBondContact CD1-OG1 3.21Å; Q38-T67 PolarHBondContact NE2-O 3.4Å; Q38-T67 PolarHBondContact NE2-OG1 2.94Å; I64-T67 WeakPolarHBondContact O-CB 3.43Å; I64-T67 PolarHBondContact O-N 2.99Å; I64-T67 VanDerWaalsContact O-N 3.09Å; I64-T67 PolarHBondContact O-OG1 2.82Å; V65-T67 PolarHBondContact O-N 3.5Å; T67-K69 PolarHBondContact O-N 3.35Å |
| 68 | I | 79.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -72.8 | 123.8 | 175.4 | -60.6 | 171.9 | 0 | 0 | 0 | 109.2 | Q38 F61 V65 E66 K72 R73 F76 | Q38-I68 HydrophobicContact CG-CG1 4.38Å; F61-I68 HydrophobicContact CE2-CD1 4.37Å; F61-I68 HydrophobicContact CZ-CD1 4.06Å; V65-I68 HydrophobicContact CG2-CD1 3.81Å; V65-I68 WeakPolarHBondContact O-CB 3.14Å; V65-I68 VanDerWaalsContact O-CG1 3.28Å; V65-I68 WeakPolarHBondContact O-CG1 3.02Å; V65-I68 PolarHBondContact O-N 3Å; V65-I68 VanDerWaalsContact O-N 3.14Å; E66-I68 PolarHBondContact O-N 3.07Å; I68-K72 HydrophobicContact CG2-CB 4.44Å; I68-R73 HydrophobicContact CB-CG 4.28Å; I68-R73 HydrophobicContact CG2-CG 3.79Å; I68-R73 PolarHBondContact O-NE 3.2Å; I68-R73 PolarHBondContact O-NH2 2.75Å; I68-F76 HydrophobicContact CD1-CB 4.41Å; I68-F76 HydrophobicContact CD1-CD1 4.3Å; I68-F76 HydrophobicContact CD1-CD2 4.43Å; I68-F76 HydrophobicContact CD1-CG 4.13Å; I68-F76 HydrophobicContact CG2-CD2 3.77Å; I68-F76 HydrophobicContact CG2-CE2 4.22Å; I68-F76 HydrophobicContact CG2-CG 4.37Å |
| 69 | K | 75.7 | Confident | 82.1 | Confident | 75 Ų | 75 | 48.7 Ų | 48.7 | 33% | 0.326 | 25% | 0.248 | S | C | . | . | trans | -60.8 | 139.2 | 178.7 | -58.4 | -168.3 | -177.8 | -172.4 | 0 | 112.1 | T67 N71 K72 R73 N1144 | T67-K69 PolarHBondContact O-N 3.35Å; K69-N71 VanDerWaalsContact C-N 3.29Å; K69-N71 WeakPolarHBondContact CB-OD1 3.22Å; K69-N71 PolarHBondContact O-N 2.79Å; K69-K72 PolarHBondContact O-N 3.37Å; K69-R73 WeakPolarHBondContact O-CG 3.29Å; K69-R73 PolarHBondContact O-N 2.71Å; K69-N1144 WeakPolarHBondContact CE-O 3.35Å; K69-N1144 PolarHBondContact NZ-O 2.94Å | ||
| 70 | P | 72.9 | Confident | 81.9 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 38% | 0.377 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.6 | -38.4 | -173.2 | 18.7 | -30.8 | 0 | 0 | 0 | 113.9 | K72 R73 | P70-K72 PolarHBondContact O-N 3.16Å; P70-R73 PolarHBondContact O-N 3.48Å |
| 71 | N | 74.4 | Confident | 81.8 | Confident | 115 Ų | 115 | 46 Ų | 46 | 62% | 0.615 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.5 | -18.5 | 175.8 | 45.7 | -0.8 | 0 | 0 | 0 | 114.5 | K69 | K69-N71 VanDerWaalsContact C-N 3.29Å; K69-N71 WeakPolarHBondContact CB-OD1 3.22Å; K69-N71 PolarHBondContact O-N 2.79Å |
| 72 | K | 78.4 | Confident | 81.6 | Confident | 73 Ų | 73 | 49.7 Ų | 49.7 | 32% | 0.317 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -104.2 | -11.5 | 174.5 | -65.8 | -174.6 | 174.9 | -176.8 | 0 | 113.6 | H35 I68 K69 P70 R74 Q75 F76 | H35-K72 PolarHBondContact CD2-NZ 3.29Å; H35-K72 PolarHBondContact NE2-NZ 3.44Å; I68-K72 HydrophobicContact CG2-CB 4.44Å; K69-K72 PolarHBondContact O-N 3.37Å; P70-K72 PolarHBondContact O-N 3.16Å; K72-R74 VanDerWaalsContact C-N 3.33Å; K72-R74 PolarHBondContact O-N 3.06Å; K72-Q75 WeakPolarHBondContact O-CB 3.45Å; K72-Q75 PolarHBondContact O-N 3.03Å; K72-F76 HydrophobicContact CB-CD2 4.24Å; K72-F76 HydrophobicContact CB-CE2 4.44Å; K72-F76 PolarHBondContact O-N 3.26Å |
| 73 | R | 81.3 | Confident | 81.6 | Confident | 50 Ų | 50 | 50 Ų | 50 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -40.3 | -176.4 | -72.9 | -178.8 | -172.2 | 179.5 | -5.2 | 112.6 | E66 I68 K69 P70 Q75 F76 A77 Y113 | E66-R73 PolarHBondContact O-NH2 3.27Å; I68-R73 HydrophobicContact CB-CG 4.28Å; I68-R73 HydrophobicContact CG2-CG 3.79Å; I68-R73 PolarHBondContact O-NE 3.2Å; I68-R73 PolarHBondContact O-NH2 2.75Å; K69-R73 WeakPolarHBondContact O-CG 3.29Å; K69-R73 PolarHBondContact O-N 2.71Å; P70-R73 PolarHBondContact O-N 3.48Å; R73-Q75 PolarHBondContact O-N 2.9Å; R73-F76 PolarHBondContact O-N 3.5Å; R73-A77 VanDerWaalsContact O-CB 3.27Å; R73-A77 WeakPolarHBondContact O-CB 3.21Å; R73-A77 PolarHBondContact O-N 3.41Å; R73-Y113 HydrophobicContact CB-CD1 4.46Å; R73-Y113 HydrophobicContact CB-CD2 3.73Å; R73-Y113 HydrophobicContact CB-CE1 4.27Å; R73-Y113 HydrophobicContact CB-CE2 3.5Å; R73-Y113 HydrophobicContact CB-CG 4.21Å; R73-Y113 VanDerWaalsContact CD-CE2 3.43Å; R73-Y113 HydrophobicContact CG-CE2 4.08Å |
| 74 | R | 83.2 | Confident | 81.8 | Confident | 91 Ų | 91 | 48.2 Ų | 48.2 | 34% | 0.343 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 174.1 | -177.5 | 63.9 | 175.1 | 147.5 | 5.8 | 112.5 | K72 A77 M78 Y113 E118 | K72-R74 VanDerWaalsContact C-N 3.33Å; K72-R74 PolarHBondContact O-N 3.06Å; R74-A77 PolarHBondContact O-N 3.4Å; R74-M78 PolarHBondContact NH1-SD 3.29Å; R74-M78 VanDerWaalsContact NH1-SD 3.44Å; R74-M78 PolarHBondContact NH2-SD 3.45Å; R74-M78 VanDerWaalsContact NH2-SD 3.4Å; R74-M78 WeakPolarHBondContact O-CB 3.4Å; R74-M78 VanDerWaalsContact O-CG 3.28Å; R74-M78 WeakPolarHBondContact O-CG 3.49Å; R74-M78 PolarHBondContact O-N 3.45Å; R74-Y113 HydrophobicContact CB-CD1 4.32Å; R74-Y113 VanDerWaalsContact CD-O 3.22Å; R74-Y113 WeakPolarHBondContact CD-O 3.39Å; R74-Y113 PolarHBondContact NH1-O 3.37Å; R74-E118 IonicContact CZ-OE1 3.07Å; R74-E118 IonicContact CZ-OE2 3.31Å; R74-E118 IonicContact NH1-OE1 2.98Å; R74-E118 IonicContact NH1-OE2 3.69Å; R74-E118 PolarHBondContact NH1-OE2 3.17Å; R74-E118 IonicContact NH2-OE1 3.43Å; R74-E118 PolarHBondContact NH2-OE1 3.35Å; R74-E118 IonicContact NH2-OE2 3.87Å; R74-E118 PolarHBondContact NH2-OE2 3.39Å |
| 75 | Q | 83.6 | Confident | 81.8 | Confident | 127 Ų | 127 | 50.5 Ų | 50.5 | 59% | 0.593 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.9 | -43.1 | 177.9 | -172.4 | -178.9 | 9.6 | 0 | 0 | 111.5 | K72 R73 T79 | K72-Q75 WeakPolarHBondContact O-CB 3.45Å; K72-Q75 PolarHBondContact O-N 3.03Å; R73-Q75 PolarHBondContact O-N 2.9Å; Q75-T79 WeakPolarHBondContact O-CB 3.33Å; Q75-T79 PolarHBondContact O-N 3.39Å; Q75-T79 VanDerWaalsContact O-N 3.07Å; Q75-T79 PolarHBondContact O-OG1 3.5Å |
| 76 | F | 84.3 | Confident | 82 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -42 | 173.8 | -87 | -83.5 | 0 | 0 | 0 | 111.8 | Q38 T39 C42 F61 I68 K72 R73 M78 T79 F80 L110 | Q38-F76 HydrophobicContact CB-CE1 4.14Å; Q38-F76 HydrophobicContact CB-CZ 3.89Å; T39-F76 HydrophobicContact CG2-CZ 4.08Å; C42-F76 HydrophobicContact CB-CE1 4.41Å; F61-F76 HydrophobicContact CE2-CD1 4.46Å; F61-F76 HydrophobicContact CE2-CE1 4.46Å; F61-F76 HydrophobicContact CZ-CD1 4.32Å; I68-F76 HydrophobicContact CD1-CB 4.41Å; I68-F76 HydrophobicContact CD1-CD1 4.3Å; I68-F76 HydrophobicContact CD1-CD2 4.43Å; I68-F76 HydrophobicContact CD1-CG 4.13Å; I68-F76 HydrophobicContact CG2-CD2 3.77Å; I68-F76 HydrophobicContact CG2-CE2 4.22Å; I68-F76 HydrophobicContact CG2-CG 4.37Å; K72-F76 HydrophobicContact CB-CD2 4.24Å; K72-F76 HydrophobicContact CB-CE2 4.44Å; K72-F76 PolarHBondContact O-N 3.26Å; R73-F76 PolarHBondContact O-N 3.5Å; F76-M78 PolarHBondContact O-N 2.97Å; F76-T79 PolarHBondContact O-N 2.96Å; F76-F80 WeakPolarHBondContact O-CB 3.36Å; F76-F80 PolarHBondContact O-N 3.19Å; F76-L110 HydrophobicContact CB-CD2 4.47Å |
| 77 | A | 82.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -48.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R73 R74 T79 F80 L81 F114 | R73-A77 VanDerWaalsContact O-CB 3.27Å; R73-A77 WeakPolarHBondContact O-CB 3.21Å; R73-A77 PolarHBondContact O-N 3.41Å; R74-A77 PolarHBondContact O-N 3.4Å; A77-T79 VanDerWaalsContact C-N 3.27Å; A77-T79 PolarHBondContact O-N 2.93Å; A77-F80 PolarHBondContact O-N 3.34Å; A77-L81 WeakPolarHBondContact O-CB 3.31Å; A77-L81 PolarHBondContact O-N 3.25Å; A77-F114 HydrophobicContact CB-CD1 4.09Å; A77-F114 HydrophobicContact CB-CE1 3.72Å |
| 78 | M | 84.1 | Confident | 82.6 | Confident | 90 Ų | 90 | 46 Ų | 46 | 44% | 0.443 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.4 | -33 | 176.5 | -72 | -61.3 | -68.3 | 0 | 0 | 113.1 | R74 F76 P82 | R74-M78 PolarHBondContact NH1-SD 3.29Å; R74-M78 VanDerWaalsContact NH1-SD 3.44Å; R74-M78 PolarHBondContact NH2-SD 3.45Å; R74-M78 VanDerWaalsContact NH2-SD 3.4Å; R74-M78 WeakPolarHBondContact O-CB 3.4Å; R74-M78 VanDerWaalsContact O-CG 3.28Å; R74-M78 WeakPolarHBondContact O-CG 3.49Å; R74-M78 PolarHBondContact O-N 3.45Å; F76-M78 PolarHBondContact O-N 2.97Å; M78-P82 WeakPolarHBondContact O-CD 3.31Å |
| 79 | T | 83.4 | Confident | 82.9 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -79.1 | -34.4 | 177.9 | -52.2 | 0 | 0 | 0 | 0 | 111.7 | Q75 F76 A77 P82 I83 | Q75-T79 WeakPolarHBondContact O-CB 3.33Å; Q75-T79 PolarHBondContact O-N 3.39Å; Q75-T79 VanDerWaalsContact O-N 3.07Å; Q75-T79 PolarHBondContact O-OG1 3.5Å; F76-T79 PolarHBondContact O-N 2.96Å; A77-T79 VanDerWaalsContact C-N 3.27Å; A77-T79 PolarHBondContact O-N 2.93Å; T79-P82 WeakPolarHBondContact O-CD 3.06Å; T79-I83 HydrophobicContact CG2-CD1 4.42Å; T79-I83 VanDerWaalsContact O-CD1 3.3Å; T79-I83 WeakPolarHBondContact O-CD1 3.28Å; T79-I83 WeakPolarHBondContact O-CG1 3.44Å |
| 80 | F | 85.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -80 | -32.4 | -176.2 | -169.5 | -104.3 | 0 | 0 | 0 | 112.5 | L45 L58 F61 F76 A77 I83 L84 L106 L110 | L45-F80 HydrophobicContact CD1-CE2 4.13Å; L58-F80 HydrophobicContact CD1-CE2 4.37Å; L58-F80 HydrophobicContact CD1-CZ 4.12Å; F61-F80 HydrophobicContact CD1-CE2 4.17Å; F61-F80 HydrophobicContact CE1-CD2 4.06Å; F61-F80 AromaticContact CE1-CE2 3.97Å; F61-F80 HydrophobicContact CE1-CE2 3.97Å; F76-F80 WeakPolarHBondContact O-CB 3.36Å; F76-F80 PolarHBondContact O-N 3.19Å; A77-F80 PolarHBondContact O-N 3.34Å; F80-I83 WeakPolarHBondContact O-CB 3.43Å; F80-I83 PolarHBondContact O-N 3.05Å; F80-I83 VanDerWaalsContact O-N 3.1Å; F80-L84 HydrophobicContact CD1-CB 4.31Å; F80-L84 HydrophobicContact CE1-CB 4.11Å; F80-L84 HydrophobicContact CE1-CD1 4.11Å; F80-L84 HydrophobicContact CE1-CD2 4.23Å; F80-L84 HydrophobicContact CE1-CG 4.39Å; F80-L84 HydrophobicContact CZ-CD1 4.34Å; F80-L84 WeakPolarHBondContact O-CB 3.33Å; F80-L84 PolarHBondContact O-N 2.98Å; F80-L106 HydrophobicContact CE1-CD1 4.46Å; F80-L106 HydrophobicContact CZ-CD1 4.09Å; F80-L110 HydrophobicContact CD1-CD1 4.36Å |
| 81 | L | 85 | Confident | 83.8 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.9 | -50.8 | -178.6 | -170.9 | 91.7 | 0 | 0 | 0 | 112.9 | A77 I83 L84 M85 F114 E118 L122 | A77-L81 WeakPolarHBondContact O-CB 3.31Å; A77-L81 PolarHBondContact O-N 3.25Å; L81-I83 VanDerWaalsContact C-N 3.31Å; L81-I83 PolarHBondContact O-N 3.32Å; L81-L84 PolarHBondContact O-N 2.9Å; L81-M85 WeakPolarHBondContact O-CG 3.46Å; L81-M85 PolarHBondContact O-N 3.33Å; L81-F114 HydrophobicContact CB-CE1 4.19Å; L81-F114 HydrophobicContact CD1-CD1 3.94Å; L81-F114 HydrophobicContact CD1-CE1 3.71Å; L81-F114 HydrophobicContact CD1-CE2 4.49Å; L81-F114 HydrophobicContact CD1-CG 4.45Å; L81-F114 HydrophobicContact CD1-CZ 4.03Å; L81-E118 HydrophobicContact CD2-CB 3.97Å; L81-E118 HydrophobicContact CD2-CG 4.07Å; L81-L122 HydrophobicContact CD1-CB 4.16Å; L81-L122 HydrophobicContact CD1-CD2 4.05Å |
| 82 | P | 86 | Confident | 84.4 | Confident | 78 Ų | 78 | 50.8 Ų | 50.8 | 51% | 0.506 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.1 | -33 | 177.2 | -18 | 32.1 | 0 | 0 | 0 | 113 | M78 T79 A86 | M78-P82 WeakPolarHBondContact O-CD 3.31Å; T79-P82 WeakPolarHBondContact O-CD 3.06Å; P82-A86 WeakPolarHBondContact O-CB 3.44Å; P82-A86 PolarHBondContact O-N 3.21Å; P82-A86 VanDerWaalsContact O-N 3.07Å |
| 83 | I | 85.5 | Confident | 84.6 | Confident | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 176.8 | -61.9 | 171.6 | 0 | 0 | 0 | 109.2 | L45 K46 T79 F80 L81 A86 L87 | L45-I83 HydrophobicContact CB-CG2 3.89Å; K46-I83 HydrophobicContact CB-CD1 3.8Å; K46-I83 HydrophobicContact CB-CG1 4.13Å; K46-I83 HydrophobicContact CG-CD1 4.34Å; K46-I83 HydrophobicContact CG-CG1 4.31Å; T79-I83 HydrophobicContact CG2-CD1 4.42Å; T79-I83 VanDerWaalsContact O-CD1 3.3Å; T79-I83 WeakPolarHBondContact O-CD1 3.28Å; T79-I83 WeakPolarHBondContact O-CG1 3.44Å; F80-I83 WeakPolarHBondContact O-CB 3.43Å; F80-I83 PolarHBondContact O-N 3.05Å; F80-I83 VanDerWaalsContact O-N 3.1Å; L81-I83 VanDerWaalsContact C-N 3.31Å; L81-I83 PolarHBondContact O-N 3.32Å; I83-A86 PolarHBondContact O-N 3.3Å; I83-L87 HydrophobicContact CG2-CD1 3.95Å; I83-L87 HydrophobicContact CG2-CG 4.33Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 3.13Å |
| 84 | L | 85.9 | Confident | 84.9 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -44 | 178.5 | -172.6 | 69.7 | 0 | 0 | 0 | 111.5 | F80 L81 A86 L87 V88 I99 F107 L122 | F80-L84 HydrophobicContact CD1-CB 4.31Å; F80-L84 HydrophobicContact CE1-CB 4.11Å; F80-L84 HydrophobicContact CE1-CD1 4.11Å; F80-L84 HydrophobicContact CE1-CD2 4.23Å; F80-L84 HydrophobicContact CE1-CG 4.39Å; F80-L84 HydrophobicContact CZ-CD1 4.34Å; F80-L84 WeakPolarHBondContact O-CB 3.33Å; F80-L84 PolarHBondContact O-N 2.98Å; L81-L84 PolarHBondContact O-N 2.9Å; L84-A86 PolarHBondContact O-N 3.5Å; L84-L87 PolarHBondContact O-N 3.06Å; L84-L87 VanDerWaalsContact O-N 3.15Å; L84-V88 HydrophobicContact CD1-CG2 4.4Å; L84-V88 HydrophobicContact CG-CG2 4.29Å; L84-V88 WeakPolarHBondContact O-CB 3.41Å; L84-V88 VanDerWaalsContact O-CG2 3.23Å; L84-V88 WeakPolarHBondContact O-CG2 3.35Å; L84-V88 PolarHBondContact O-N 2.99Å; L84-I99 HydrophobicContact CD1-CG2 4.36Å; L84-F107 HydrophobicContact CD2-CE1 3.85Å; L84-F107 HydrophobicContact CD2-CZ 3.55Å; L84-L122 HydrophobicContact CD2-CD1 3.83Å; L84-L122 HydrophobicContact CD2-CD2 3.7Å; L84-L122 HydrophobicContact CD2-CG 4.38Å; L84-L122 HydrophobicContact CG-CD1 4.19Å |
| 85 | M | 86.8 | Confident | 85.1 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -32.5 | 175.4 | -68.8 | 178.8 | 85.5 | 0 | 0 | 112.7 | L81 K89 L122 C125 | L81-M85 WeakPolarHBondContact O-CG 3.46Å; L81-M85 PolarHBondContact O-N 3.33Å; M85-K89 WeakPolarHBondContact O-CG 3.49Å; M85-L122 HydrophobicContact CG-CD1 3.67Å; M85-C125 HydrophobicContact CE-CB 3.91Å |
| 86 | A | 86.1 | Confident | 85.3 | Confident | 49 Ų | 49 | 43 Ų | 43 | 41% | 0.405 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -74.9 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P82 I83 L84 K89 | P82-A86 WeakPolarHBondContact O-CB 3.44Å; P82-A86 PolarHBondContact O-N 3.21Å; P82-A86 VanDerWaalsContact O-N 3.07Å; I83-A86 PolarHBondContact O-N 3.3Å; L84-A86 PolarHBondContact O-N 3.5Å; A86-K89 PolarHBondContact O-N 3.05Å |
| 87 | L | 85.8 | Confident | 85.4 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69 | -36.5 | 179 | -70.9 | 177.5 | 0 | 0 | 0 | 112.8 | L45 V54 I83 L84 K89 R90 I99 | L45-L87 HydrophobicContact CD2-CD1 4.47Å; V54-L87 HydrophobicContact CG1-CD1 4.39Å; V54-L87 HydrophobicContact CG1-CD2 3.65Å; I83-L87 HydrophobicContact CG2-CD1 3.95Å; I83-L87 HydrophobicContact CG2-CG 4.33Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 3.13Å; L84-L87 PolarHBondContact O-N 3.06Å; L84-L87 VanDerWaalsContact O-N 3.15Å; L87-K89 PolarHBondContact O-N 3.07Å; L87-R90 WeakPolarHBondContact O-CB 3.32Å; L87-R90 PolarHBondContact O-N 3.38Å; L87-I99 HydrophobicContact CB-CD1 4.12Å |
| 88 | V | 84.6 | Confident | 85.6 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66 | -25.3 | 178.2 | 166.6 | 0 | 0 | 0 | 0 | 112.4 | L84 R90 H96 I99 V126 N129 L144 | L84-V88 HydrophobicContact CD1-CG2 4.4Å; L84-V88 HydrophobicContact CG-CG2 4.29Å; L84-V88 WeakPolarHBondContact O-CB 3.41Å; L84-V88 VanDerWaalsContact O-CG2 3.23Å; L84-V88 WeakPolarHBondContact O-CG2 3.35Å; L84-V88 PolarHBondContact O-N 2.99Å; V88-R90 VanDerWaalsContact C-N 3.3Å; V88-H96 PolarHBondContact O-NE2 2.92Å; V88-I99 HydrophobicContact CG2-CD1 4.38Å; V88-V126 HydrophobicContact CG1-CB 4.28Å; V88-V126 HydrophobicContact CG1-CG2 3.74Å; V88-V126 HydrophobicContact CG2-CG2 4.23Å; V88-N129 WeakPolarHBondContact CG1-ND2 3.31Å; V88-N129 PolarHBondContact O-ND2 3.48Å; V88-L144 HydrophobicContact CG2-CD2 3.98Å |
| 89 | K | 85.7 | Confident | 85.8 | Confident | 146 Ų | 146 | 41.3 Ų | 41.3 | 64% | 0.635 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.6 | 178.7 | -69.7 | 180 | -177.9 | -174.6 | 0 | 113.7 | M85 A86 L87 C125 | M85-K89 WeakPolarHBondContact O-CG 3.49Å; A86-K89 PolarHBondContact O-N 3.05Å; L87-K89 PolarHBondContact O-N 3.07Å; K89-C125 WeakPolarHBondContact CE-SG 3.36Å |
| 90 | R | 84.7 | Confident | 85.8 | Confident | 35 Ų | 35 | 39 Ų | 39 | 13% | 0.132 | 21% | 0.21 | C | C | . | . | trans | -74.5 | 141.1 | -177.3 | -80.4 | -165.8 | 76.7 | 153.8 | 3.7 | 111 | N48 G49 L87 V88 E92 I95 H96 | N48-R90 WeakPolarHBondContact OD1-CD 3.25Å; N48-R90 PolarHBondContact OD1-NH1 3.29Å; G49-R90 PolarHBondContact O-NH1 3.35Å; L87-R90 WeakPolarHBondContact O-CB 3.32Å; L87-R90 PolarHBondContact O-N 3.38Å; V88-R90 VanDerWaalsContact C-N 3.3Å; R90-E92 VanDerWaalsContact C-N 3.34Å; R90-E92 VanDerWaalsContact CB-OE2 3.29Å; R90-E92 WeakPolarHBondContact CB-OE2 3.32Å; R90-E92 IonicContact CZ-OE1 3.65Å; R90-E92 IonicContact CZ-OE2 3.07Å; R90-E92 IonicContact NE-OE1 3.63Å; R90-E92 PolarHBondContact NE-OE1 3.27Å; R90-E92 IonicContact NE-OE2 3.63Å; R90-E92 PolarHBondContact NE-OE2 3.28Å; R90-E92 IonicContact NH2-OE1 2.78Å; R90-E92 PolarHBondContact NH2-OE1 3.17Å; R90-E92 IonicContact NH2-OE2 2.74Å; R90-E92 PolarHBondContact O-N 3.08Å; R90-I95 HydrophobicContact CB-CD1 4.32Å; R90-H96 PolarHBondContact O-CE1 3.47Å; R90-H96 PolarHBondContact O-NE2 3.43Å | ||
| 91 | P | 82.9 | Confident | 85.8 | Confident | 107 Ų | 107 | 47 Ų | 47 | 70% | 0.695 | 24% | 0.24 | S | C | * | . | trans | -78.9 | -12.7 | -177.6 | 30.9 | -35.3 | 0 | 0 | 0 | 114.1 | E93 | P91-E93 PolarHBondContact O-N 3.3Š| ||
| 92 | E | 86.5 | Confident | 85.9 | Confident | 61 Ų | 61 | 46.7 Ų | 46.7 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | trans | -75.5 | 121.8 | -172.2 | -58.4 | 96.5 | 151.5 | 0 | 0 | 114 | R90 M94 I95 H96 | R90-E92 VanDerWaalsContact C-N 3.34Å; R90-E92 VanDerWaalsContact CB-OE2 3.29Å; R90-E92 WeakPolarHBondContact CB-OE2 3.32Å; R90-E92 IonicContact CZ-OE1 3.65Å; R90-E92 IonicContact CZ-OE2 3.07Å; R90-E92 IonicContact NE-OE1 3.63Å; R90-E92 PolarHBondContact NE-OE1 3.27Å; R90-E92 IonicContact NE-OE2 3.63Å; R90-E92 PolarHBondContact NE-OE2 3.28Å; R90-E92 IonicContact NH2-OE1 2.78Å; R90-E92 PolarHBondContact NH2-OE1 3.17Å; R90-E92 IonicContact NH2-OE2 2.74Å; R90-E92 PolarHBondContact O-N 3.08Å; E92-M94 VanDerWaalsContact C-N 3.29Å; E92-M94 PolarHBondContact O-N 3.14Å; E92-I95 HydrophobicContact CB-CD1 4.28Å; E92-I95 HydrophobicContact CB-CG1 4.33Å; E92-I95 PolarHBondContact O-N 3.26Å; E92-I95 VanDerWaalsContact O-N 3.08Å; E92-H96 PolarHBondContact O-N 2.97Å | ||
| 93 | E | 84.5 | Confident | 85.8 | Confident | 100 Ų | 100 | 43 Ų | 43 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.2 | -36.3 | -178.6 | -60.2 | -169.1 | 167.7 | 0 | 0 | 113.9 | P91 I95 H96 E97 S134 T136 | P91-E93 PolarHBondContact O-N 3.3Å; E93-I95 PolarHBondContact O-N 3.1Å; E93-H96 PolarHBondContact O-N 3.31Å; E93-E97 WeakPolarHBondContact O-CB 3.29Å; E93-E97 PolarHBondContact O-N 2.77Å; E93-S134 WeakPolarHBondContact OE1-CB 3.41Å; E93-S134 PolarHBondContact OE1-OG 3Å; E93-T136 PolarHBondContact OE2-OG1 3.34Å |
| 94 | M | 86.1 | Confident | 85.6 | Confident | 69 Ų | 69 | 45.8 Ų | 45.8 | 34% | 0.34 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.8 | -33.5 | 178.5 | -175.2 | -172.7 | -64.2 | 0 | 0 | 112.4 | R52 R55 E92 C98 | R52-M94 HydrophobicContact CG-CE 4.46Å; R52-M94 HydrophobicContact CG-SD 4.17Å; R55-M94 HydrophobicContact CB-SD 4.47Å; E92-M94 VanDerWaalsContact C-N 3.29Å; E92-M94 PolarHBondContact O-N 3.14Å; M94-C98 WeakPolarHBondContact O-CB 3.3Å; M94-C98 PolarHBondContact O-N 3.12Å |
| 95 | I | 88.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77.8 | -45.3 | 179.6 | -61.4 | 179.1 | 0 | 0 | 0 | 109.8 | P51 R90 E92 E93 E97 C98 I99 | P51-I95 HydrophobicContact CB-CD1 4.04Å; P51-I95 HydrophobicContact CB-CG1 4.14Å; R90-I95 HydrophobicContact CB-CD1 4.32Å; E92-I95 HydrophobicContact CB-CD1 4.28Å; E92-I95 HydrophobicContact CB-CG1 4.33Å; E92-I95 PolarHBondContact O-N 3.26Å; E92-I95 VanDerWaalsContact O-N 3.08Å; E93-I95 PolarHBondContact O-N 3.1Å; I95-E97 PolarHBondContact O-N 2.69Å; I95-C98 WeakPolarHBondContact O-CB 3.42Å; I95-C98 PolarHBondContact O-N 3.32Å; I95-I99 HydrophobicContact CG2-CD1 3.88Å; I95-I99 HydrophobicContact CG2-CG1 4.45Å; I95-I99 WeakPolarHBondContact O-CG1 3.13Å; I95-I99 PolarHBondContact O-N 3.36Å |
| 96 | H | 88.2 | Confident | 85.3 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -47.5 | 176.7 | -68.4 | 169.8 | 0 | 0 | 0 | 112 | V88 R90 E92 E93 C98 I99 G100 F132 A137 S140 | V88-H96 PolarHBondContact O-NE2 2.92Å; R90-H96 PolarHBondContact O-CE1 3.47Å; R90-H96 PolarHBondContact O-NE2 3.43Å; E92-H96 PolarHBondContact O-N 2.97Å; E93-H96 PolarHBondContact O-N 3.31Å; H96-C98 VanDerWaalsContact C-N 3.31Å; H96-C98 PolarHBondContact O-N 2.87Å; H96-I99 PolarHBondContact O-N 2.94Å; H96-G100 PolarHBondContact O-N 3.48Å; H96-F132 AromaticContact CE1-CE2 3.75Å; H96-A137 WeakPolarHBondContact ND1-CB 3.43Å; H96-S140 WeakPolarHBondContact O-CB 3.3Å; H96-S140 PolarHBondContact O-OG 3.12Å; H96-S140 VanDerWaalsContact O-OG 3.11Å |
| 97 | E | 86 | Confident | 85.2 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.8 | -42.7 | 177 | -166.2 | -166.2 | -163.3 | 0 | 0 | 111.4 | E93 I95 G100 R101 S140 | E93-E97 WeakPolarHBondContact O-CB 3.29Å; E93-E97 PolarHBondContact O-N 2.77Å; I95-E97 PolarHBondContact O-N 2.69Å; E97-G100 PolarHBondContact O-N 3.36Å; E97-R101 VanDerWaalsContact CD-CZ 3.47Å; E97-R101 PolarHBondContact O-N 3.26Å; E97-R101 IonicContact OE1-CZ 3.19Å; E97-R101 IonicContact OE1-NH1 2.85Å; E97-R101 PolarHBondContact OE1-NH1 2.98Å; E97-R101 VanDerWaalsContact OE1-NH1 3.07Å; E97-R101 IonicContact OE1-NH2 3.86Å; E97-R101 PolarHBondContact OE1-NH2 3.39Å; E97-R101 IonicContact OE2-CZ 2.78Å; E97-R101 IonicContact OE2-NH1 2.88Å; E97-R101 PolarHBondContact OE2-NH1 3.17Å; E97-R101 IonicContact OE2-NH2 2.81Å; E97-S140 WeakPolarHBondContact CA-OG 3.46Å |
| 98 | C | 87.6 | Confident | 85 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 176.4 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | R55 L58 M94 I95 H96 G100 R101 C102 | R55-C98 HydrophobicContact CG-CB 3.97Å; L58-C98 HydrophobicContact CD2-CB 4.43Å; M94-C98 WeakPolarHBondContact O-CB 3.3Å; M94-C98 PolarHBondContact O-N 3.12Å; I95-C98 WeakPolarHBondContact O-CB 3.42Å; I95-C98 PolarHBondContact O-N 3.32Å; H96-C98 VanDerWaalsContact C-N 3.31Å; H96-C98 PolarHBondContact O-N 2.87Å; C98-G100 VanDerWaalsContact C-N 3.34Å; C98-R101 PolarHBondContact O-N 2.8Å; C98-C102 WeakPolarHBondContact O-CB 3.35Å; C98-C102 PolarHBondContact O-N 2.93Å; C98-C102 PolarHBondContact O-SG 3.43Å |
| 99 | I | 87.1 | Confident | 84.6 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 176.6 | -68.6 | 166.5 | 0 | 0 | 0 | 110.2 | L58 L84 L87 V88 I95 H96 R101 C102 S103 L144 | L58-I99 HydrophobicContact CD2-CG1 3.65Å; L84-I99 HydrophobicContact CD1-CG2 4.36Å; L87-I99 HydrophobicContact CB-CD1 4.12Å; V88-I99 HydrophobicContact CG2-CD1 4.38Å; I95-I99 HydrophobicContact CG2-CD1 3.88Å; I95-I99 HydrophobicContact CG2-CG1 4.45Å; I95-I99 WeakPolarHBondContact O-CG1 3.13Å; I95-I99 PolarHBondContact O-N 3.36Å; H96-I99 PolarHBondContact O-N 2.94Å; I99-R101 VanDerWaalsContact C-N 3.35Å; I99-R101 PolarHBondContact O-N 2.69Å; I99-C102 PolarHBondContact O-N 2.92Å; I99-S103 WeakPolarHBondContact O-CB 3.37Å; I99-S103 PolarHBondContact O-N 3.31Å; I99-L144 HydrophobicContact CG2-CD1 3.86Å; I99-L144 HydrophobicContact CG2-CD2 3.94Å; I99-L144 HydrophobicContact CG2-CG 4.45Å |
| 100 | G | 83.7 | Confident | 84.4 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62 | -37.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H96 E97 C98 S103 | H96-G100 PolarHBondContact O-N 3.48Å; E97-G100 PolarHBondContact O-N 3.36Å; C98-G100 VanDerWaalsContact C-N 3.34Å; G100-S103 PolarHBondContact O-OG 3.17Å |
| 101 | R | 85.2 | Confident | 84.1 | Confident | 169 Ų | 169 | 43.6 Ų | 43.6 | 64% | 0.638 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -72.2 | -35.6 | 174.5 | -73.6 | -174.1 | -177.8 | 122.5 | -2.8 | 113.1 | E97 C98 I99 | E97-R101 VanDerWaalsContact CD-CZ 3.47Å; E97-R101 PolarHBondContact O-N 3.26Å; E97-R101 IonicContact OE1-CZ 3.19Å; E97-R101 IonicContact OE1-NH1 2.85Å; E97-R101 PolarHBondContact OE1-NH1 2.98Å; E97-R101 VanDerWaalsContact OE1-NH1 3.07Å; E97-R101 IonicContact OE1-NH2 3.86Å; E97-R101 PolarHBondContact OE1-NH2 3.39Å; E97-R101 IonicContact OE2-CZ 2.78Å; E97-R101 IonicContact OE2-NH1 2.88Å; E97-R101 PolarHBondContact OE2-NH1 3.17Å; E97-R101 IonicContact OE2-NH2 2.81Å; C98-R101 PolarHBondContact O-N 2.8Å; I99-R101 VanDerWaalsContact C-N 3.35Å; I99-R101 PolarHBondContact O-N 2.69Å |
| 102 | C | 86.1 | Confident | 83.7 | Confident | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -86.8 | -13.3 | -176.9 | -66.5 | 0 | 0 | 0 | 0 | 113.9 | A62 C98 I99 N104 L106 | A62-C102 HydrophobicContact CB-CB 3.76Å; C98-C102 WeakPolarHBondContact O-CB 3.35Å; C98-C102 PolarHBondContact O-N 2.93Å; C98-C102 PolarHBondContact O-SG 3.43Å; I99-C102 PolarHBondContact O-N 2.92Å; C102-N104 PolarHBondContact O-N 3.21Å; C102-L106 HydrophobicContact CB-CD1 3.83Å; C102-L106 HydrophobicContact CB-CG 4.34Å; C102-L106 WeakPolarHBondContact O-CB 3.33Å; C102-L106 VanDerWaalsContact O-CG 3.24Å; C102-L106 WeakPolarHBondContact O-CG 3.43Å; C102-L106 PolarHBondContact O-N 3.05Å; C102-L106 VanDerWaalsContact O-N 3.08Å |
| 103 | S | 84 | Confident | 83.4 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.1 | -49.5 | -170.6 | 55 | 0 | 0 | 0 | 0 | 113 | I99 G100 R105 L106 F107 | I99-S103 WeakPolarHBondContact O-CB 3.37Å; I99-S103 PolarHBondContact O-N 3.31Å; G100-S103 PolarHBondContact O-OG 3.17Å; S103-R105 PolarHBondContact O-N 3.4Å; S103-L106 PolarHBondContact O-N 3.41Å; S103-F107 WeakPolarHBondContact O-CB 3.4Å; S103-F107 WeakPolarHBondContact O-CD2 3.44Å; S103-F107 PolarHBondContact O-N 3.02Å |
| 104 | N | 81.1 | Confident | 83.3 | Confident | 69 Ų | 69 | 39.2 Ų | 39.2 | 37% | 0.369 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -56.2 | -55.2 | -177.5 | -171.5 | -63.5 | 0 | 0 | 0 | 111.6 | C102 L106 F107 K108 E147 | C102-N104 PolarHBondContact O-N 3.21Å; N104-L106 PolarHBondContact O-N 3.05Å; N104-F107 PolarHBondContact O-N 2.98Å; N104-K108 WeakPolarHBondContact O-CB 3.38Å; N104-K108 PolarHBondContact O-N 2.82Å; N104-E147 WeakPolarHBondContact CA-OE2 3.47Å; N104-E147 PolarHBondContact ND2-OE1 3.25Å; N104-E147 PolarHBondContact ND2-OE2 2.81Å |
| 105 | R | 81.6 | Confident | 83.1 | Confident | 106 Ų | 106 | 37.9 Ų | 37.9 | 40% | 0.4 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 178.5 | -68.8 | -172.5 | -177.6 | -155.8 | -5.3 | 112.5 | V65 S103 T109 D972 | V65-R105 WeakPolarHBondContact CG1-O 3.32Å; S103-R105 PolarHBondContact O-N 3.4Å; R105-T109 PolarHBondContact O-OG1 3.13Å; R105-D972 IonicContact CZ-OD2 2.76Å; R105-D972 IonicContact NH1-OD2 3.61Å; R105-D972 IonicContact NH2-OD2 2.72Å; R105-D972 PolarHBondContact NH2-OD2 3.09Å |
| 106 | L | 85.3 | Confident | 82.5 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.9 | -50.8 | 179.4 | -71.9 | 172.5 | 0 | 0 | 0 | 112.2 | L58 F61 A62 V65 F80 C102 S103 N104 T109 L110 | L58-L106 HydrophobicContact CD1-CD1 4.02Å; F61-L106 HydrophobicContact CD1-CD2 3.82Å; F61-L106 HydrophobicContact CE1-CD2 4Å; A62-L106 HydrophobicContact CB-CD1 4.49Å; A62-L106 HydrophobicContact CB-CD2 3.98Å; A62-L106 HydrophobicContact CB-CG 4Å; V65-L106 HydrophobicContact CB-CD2 4.22Å; V65-L106 HydrophobicContact CG2-CD2 3.81Å; F80-L106 HydrophobicContact CE1-CD1 4.46Å; F80-L106 HydrophobicContact CZ-CD1 4.09Å; C102-L106 HydrophobicContact CB-CD1 3.83Å; C102-L106 HydrophobicContact CB-CG 4.34Å; C102-L106 WeakPolarHBondContact O-CB 3.33Å; C102-L106 VanDerWaalsContact O-CG 3.24Å; C102-L106 WeakPolarHBondContact O-CG 3.43Å; C102-L106 PolarHBondContact O-N 3.05Å; C102-L106 VanDerWaalsContact O-N 3.08Å; S103-L106 PolarHBondContact O-N 3.41Å; N104-L106 PolarHBondContact O-N 3.05Å; L106-T109 PolarHBondContact O-N 3.48Å; L106-L110 WeakPolarHBondContact O-CB 3.47Å; L106-L110 PolarHBondContact O-N 2.95Å |
| 107 | F | 84.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -82.9 | -27.4 | -170.9 | -61.3 | -54.7 | 0 | 0 | 0 | 113.2 | L84 S103 N104 T109 S111 F114 L144 E147 L148 H151 | L84-F107 HydrophobicContact CD2-CE1 3.85Å; L84-F107 HydrophobicContact CD2-CZ 3.55Å; S103-F107 WeakPolarHBondContact O-CB 3.4Å; S103-F107 WeakPolarHBondContact O-CD2 3.44Å; S103-F107 PolarHBondContact O-N 3.02Å; N104-F107 PolarHBondContact O-N 2.98Å; F107-T109 PolarHBondContact O-N 3.36Å; F107-T109 VanDerWaalsContact O-N 3.15Å; F107-S111 VanDerWaalsContact O-CB 3.23Å; F107-S111 WeakPolarHBondContact O-CB 3.49Å; F107-S111 PolarHBondContact O-N 2.97Å; F107-S111 PolarHBondContact O-OG 2.72Å; F107-F114 HydrophobicContact CD1-CE2 4.11Å; F107-F114 HydrophobicContact CE1-CE2 4.2Å; F107-L144 HydrophobicContact CD2-CD1 4.18Å; F107-L144 HydrophobicContact CE2-CD1 3.21Å; F107-L144 HydrophobicContact CZ-CD1 3.71Å; F107-E147 HydrophobicContact CD2-CB 4.45Å; F107-L148 HydrophobicContact CD1-CD2 3.46Å; F107-L148 VanDerWaalsContact CD1-CD2 3.46Å; F107-L148 HydrophobicContact CD1-CG 4.49Å; F107-L148 HydrophobicContact CD2-CD2 4.04Å; F107-L148 HydrophobicContact CD2-CG 4.26Å; F107-L148 HydrophobicContact CE1-CD2 3.55Å; F107-L148 HydrophobicContact CE2-CD2 4.18Å; F107-L148 HydrophobicContact CE2-CG 4.34Å; F107-L148 HydrophobicContact CG-CD2 3.74Å; F107-L148 HydrophobicContact CG-CG 4.39Å; F107-L148 HydrophobicContact CZ-CD2 3.93Å; F107-L148 HydrophobicContact CZ-CG 4.45Å; F107-H151 HydrophobicContact CB-CB 4.49Å; F107-H151 WeakPolarHBondContact O-CB 3.26Å |
| 108 | K | 80.9 | Confident | 82 | Confident | 118 Ų | 118 | 46 Ų | 46 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -53.3 | -33.6 | 168.1 | -172.1 | 177.7 | -178.1 | -177 | 0 | 112.1 | N104 | N104-K108 WeakPolarHBondContact O-CB 3.38Å; N104-K108 PolarHBondContact O-N 2.82Å |
| 109 | T | 76.9 | Confident | 81.8 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -95.9 | -43 | -179.7 | -52.2 | 0 | 0 | 0 | 0 | 113.8 | V65 R105 L106 F107 Y113 | V65-T109 HydrophobicContact CG1-CG2 4.4Å; R105-T109 PolarHBondContact O-OG1 3.13Å; L106-T109 PolarHBondContact O-N 3.48Å; F107-T109 PolarHBondContact O-N 3.36Å; F107-T109 VanDerWaalsContact O-N 3.15Å; T109-Y113 WeakPolarHBondContact O-CE2 3.26Å |
| 110 | L | 81.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -95.5 | -28.4 | -169.5 | -65.4 | 175.3 | 0 | 0 | 0 | 114.2 | V65 F76 F80 L106 L112 Y113 | V65-L110 HydrophobicContact CG2-CD1 3.99Å; V65-L110 HydrophobicContact CG2-CG 4.3Å; F76-L110 HydrophobicContact CB-CD2 4.47Å; F80-L110 HydrophobicContact CD1-CD1 4.36Å; L106-L110 WeakPolarHBondContact O-CB 3.47Å; L106-L110 PolarHBondContact O-N 2.95Å; L110-L112 PolarHBondContact O-N 3.23Å; L110-Y113 PolarHBondContact O-N 3.12Å; L110-Y113 VanDerWaalsContact O-N 3.13Å |
| 111 | S | 78 | Confident | 81.7 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -73.1 | -25.1 | -166.8 | 72.7 | 0 | 0 | 0 | 0 | 114.7 | F107 Y113 F114 H151 | F107-S111 VanDerWaalsContact O-CB 3.23Å; F107-S111 WeakPolarHBondContact O-CB 3.49Å; F107-S111 PolarHBondContact O-N 2.97Å; F107-S111 PolarHBondContact O-OG 2.72Å; S111-Y113 PolarHBondContact O-N 3.1Å; S111-F114 PolarHBondContact O-N 3.1Å; S111-H151 WeakPolarHBondContact OG-CB 3.38Å; S111-H151 PolarHBondContact OG-O 3.12Å |
| 112 | L | 74.9 | Confident | 81.7 | Confident | 94 Ų | 94 | 39.6 Ų | 39.6 | 49% | 0.492 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -58.8 | -19.8 | 171.5 | -68 | 170 | 0 | 0 | 0 | 113.2 | L110 H151 | L110-L112 PolarHBondContact O-N 3.23Å; L112-H151 WeakPolarHBondContact CD2-O 3.46Å |
| 113 | Y | 79.6 | Confident | 81.6 | Confident | 74 Ų | 74 | 39.2 Ų | 39.2 | 29% | 0.29 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -98.2 | -2.3 | -179.8 | -60.1 | -84 | 0 | 0 | 0 | 113.5 | R73 R74 T109 L110 S111 | R73-Y113 HydrophobicContact CB-CD1 4.46Å; R73-Y113 HydrophobicContact CB-CD2 3.73Å; R73-Y113 HydrophobicContact CB-CE1 4.27Å; R73-Y113 HydrophobicContact CB-CE2 3.5Å; R73-Y113 HydrophobicContact CB-CG 4.21Å; R73-Y113 VanDerWaalsContact CD-CE2 3.43Å; R73-Y113 HydrophobicContact CG-CE2 4.08Å; R74-Y113 HydrophobicContact CB-CD1 4.32Å; R74-Y113 VanDerWaalsContact CD-O 3.22Å; R74-Y113 WeakPolarHBondContact CD-O 3.39Å; R74-Y113 PolarHBondContact NH1-O 3.37Å; T109-Y113 WeakPolarHBondContact O-CE2 3.26Å; L110-Y113 PolarHBondContact O-N 3.12Å; L110-Y113 VanDerWaalsContact O-N 3.13Å; S111-Y113 PolarHBondContact O-N 3.1Å |
| 114 | F | 82 | Confident | 81.7 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -76.2 | 144.9 | 171.4 | -62.8 | -42.2 | 0 | 0 | 0 | 110.7 | A77 L81 F107 S111 L119 L148 | A77-F114 HydrophobicContact CB-CD1 4.09Å; A77-F114 HydrophobicContact CB-CE1 3.72Å; L81-F114 HydrophobicContact CB-CE1 4.19Å; L81-F114 HydrophobicContact CD1-CD1 3.94Å; L81-F114 HydrophobicContact CD1-CE1 3.71Å; L81-F114 HydrophobicContact CD1-CE2 4.49Å; L81-F114 HydrophobicContact CD1-CG 4.45Å; L81-F114 HydrophobicContact CD1-CZ 4.03Å; F107-F114 HydrophobicContact CD1-CE2 4.11Å; F107-F114 HydrophobicContact CE1-CE2 4.2Å; S111-F114 PolarHBondContact O-N 3.1Å; F114-L119 HydrophobicContact CB-CB 4.47Å; F114-L119 HydrophobicContact CD2-CD1 4.37Å; F114-L148 HydrophobicContact CE2-CD2 4.37Å |
| 115 | S | 81 | Confident | 82 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | trans | -76.2 | 158.3 | 168 | 72.6 | 0 | 0 | 0 | 0 | 110.8 | D117 E118 L119 | S115-D117 PolarHBondContact O-N 2.86Å; S115-E118 PolarHBondContact N-OE2 3.08Å; S115-E118 PolarHBondContact O-N 3.28Å; S115-E118 VanDerWaalsContact O-N 3.14Å; S115-E118 WeakPolarHBondContact OG-CB 3.23Å; S115-E118 WeakPolarHBondContact OG-CG 3.32Å; S115-E118 PolarHBondContact OG-N 3.12Å; S115-E118 PolarHBondContact OG-OE1 3.49Å; S115-L119 WeakPolarHBondContact O-CB 3.39Å; S115-L119 PolarHBondContact O-N 3.29Å | ||
| 116 | D | 77 | Confident | 82.2 | Confident | 73 Ų | 73 | 38.5 Ų | 38.5 | 39% | 0.39 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.9 | -36.9 | 179.1 | -63.6 | -11.6 | 0 | 0 | 0 | 111.1 | G120 K154 | D116-G120 PolarHBondContact O-N 2.86Å; D116-K154 IonicContact OD2-NZ 3.62Å; D116-K154 PolarHBondContact OD2-NZ 3.12Å |
| 117 | D | 79.9 | Confident | 82.2 | Confident | 130 Ų | 130 | 39.6 Ų | 39.6 | 70% | 0.695 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -70.5 | -42.3 | 176.5 | -69.1 | -31.7 | 0 | 0 | 0 | 112.8 | S115 G120 S121 | S115-D117 PolarHBondContact O-N 2.86Å; D117-G120 PolarHBondContact O-N 3.37Å; D117-S121 WeakPolarHBondContact O-CB 3.45Å; D117-S121 PolarHBondContact O-N 3.47Å |
| 118 | E | 83.3 | Confident | 82.2 | Confident | 32 Ų | 32 | 43 Ų | 43 | 15% | 0.15 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 177.2 | -74.4 | 160.2 | -157.9 | 0 | 0 | 110.8 | R74 L81 S115 S121 L122 | R74-E118 IonicContact CZ-OE1 3.07Å; R74-E118 IonicContact CZ-OE2 3.31Å; R74-E118 IonicContact NH1-OE1 2.98Å; R74-E118 IonicContact NH1-OE2 3.69Å; R74-E118 PolarHBondContact NH1-OE2 3.17Å; R74-E118 IonicContact NH2-OE1 3.43Å; R74-E118 PolarHBondContact NH2-OE1 3.35Å; R74-E118 IonicContact NH2-OE2 3.87Å; R74-E118 PolarHBondContact NH2-OE2 3.39Å; L81-E118 HydrophobicContact CD2-CB 3.97Å; L81-E118 HydrophobicContact CD2-CG 4.07Å; S115-E118 PolarHBondContact N-OE2 3.08Å; S115-E118 PolarHBondContact O-N 3.28Å; S115-E118 VanDerWaalsContact O-N 3.14Å; S115-E118 WeakPolarHBondContact OG-CB 3.23Å; S115-E118 WeakPolarHBondContact OG-CG 3.32Å; S115-E118 PolarHBondContact OG-N 3.12Å; S115-E118 PolarHBondContact OG-OE1 3.49Å; E118-S121 PolarHBondContact O-N 3.24Å; E118-S121 PolarHBondContact O-OG 3.13Å; E118-L122 PolarHBondContact O-N 2.92Å |
| 119 | L | 84 | Confident | 82.5 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 175.9 | -175.2 | 69.6 | 0 | 0 | 0 | 111 | F114 S115 S121 L122 I123 L148 V158 | F114-L119 HydrophobicContact CB-CB 4.47Å; F114-L119 HydrophobicContact CD2-CD1 4.37Å; S115-L119 WeakPolarHBondContact O-CB 3.39Å; S115-L119 PolarHBondContact O-N 3.29Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.38Å; L119-L122 PolarHBondContact O-N 3.44Å; L119-I123 HydrophobicContact CD1-CD1 4.39Å; L119-I123 HydrophobicContact CG-CD1 4.04Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 3.15Å; L119-L148 HydrophobicContact CD1-CB 4.13Å; L119-L148 HydrophobicContact CD1-CD2 4.04Å; L119-V158 HydrophobicContact CD2-CG1 4Å; L119-V158 HydrophobicContact CD2-CG2 4.24Å |
| 120 | G | 82.4 | Confident | 82.8 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D116 D117 R124 | D116-G120 PolarHBondContact O-N 2.86Å; D117-G120 PolarHBondContact O-N 3.37Å; G120-R124 VanDerWaalsContact O-CG 3.3Å; G120-R124 WeakPolarHBondContact O-CG 3.02Å; G120-R124 PolarHBondContact O-N 2.88Å; G120-R124 VanDerWaalsContact O-N 3.07Å |
| 121 | S | 85.1 | Confident | 83 | Confident | 42 Ų | 42 | 41.6 Ų | 41.6 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 176.9 | 75.9 | 0 | 0 | 0 | 0 | 113 | D117 E118 L119 C125 | D117-S121 WeakPolarHBondContact O-CB 3.45Å; D117-S121 PolarHBondContact O-N 3.47Å; E118-S121 PolarHBondContact O-N 3.24Å; E118-S121 PolarHBondContact O-OG 3.13Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.38Å; S121-C125 PolarHBondContact O-N 2.77Å |
| 122 | L | 85.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.7 | -46.3 | 176.6 | 179.8 | 64.3 | 0 | 0 | 0 | 111.3 | L81 L84 M85 E118 L119 R124 C125 V126 L148 | L81-L122 HydrophobicContact CD1-CB 4.16Å; L81-L122 HydrophobicContact CD1-CD2 4.05Å; L84-L122 HydrophobicContact CD2-CD1 3.83Å; L84-L122 HydrophobicContact CD2-CD2 3.7Å; L84-L122 HydrophobicContact CD2-CG 4.38Å; L84-L122 HydrophobicContact CG-CD1 4.19Å; M85-L122 HydrophobicContact CG-CD1 3.67Å; E118-L122 PolarHBondContact O-N 2.92Å; L119-L122 PolarHBondContact O-N 3.44Å; L122-R124 VanDerWaalsContact C-N 3.33Å; L122-R124 PolarHBondContact O-N 3.43Å; L122-C125 WeakPolarHBondContact O-CA 3.33Å; L122-C125 VanDerWaalsContact O-CB 3.27Å; L122-C125 WeakPolarHBondContact O-CB 3.16Å; L122-C125 PolarHBondContact O-N 3.18Å; L122-V126 WeakPolarHBondContact O-CG2 3.25Å; L122-V126 PolarHBondContact O-N 3.2Å; L122-V126 VanDerWaalsContact O-N 3.12Å; L122-L148 HydrophobicContact CD2-CD1 3.61Å; L122-L148 HydrophobicContact CD2-CD2 3.74Å; L122-L148 HydrophobicContact CD2-CG 4.36Å; L122-L148 HydrophobicContact CG-CD1 4.02Å |
| 123 | I | 84.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 178.7 | -66.5 | 170.3 | 0 | 0 | 0 | 110.6 | L119 C125 V126 L127 I145 L148 W162 | L119-I123 HydrophobicContact CD1-CD1 4.39Å; L119-I123 HydrophobicContact CG-CD1 4.04Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 3.15Å; I123-C125 PolarHBondContact O-N 3.22Å; I123-V126 PolarHBondContact O-N 3.36Å; I123-V126 VanDerWaalsContact O-N 3.07Å; I123-L127 HydrophobicContact CG2-CD1 4.04Å; I123-L127 PolarHBondContact O-N 2.81Å; I123-I145 HydrophobicContact CG2-CG1 4.49Å; I123-I145 HydrophobicContact CG2-CG2 4.24Å; I123-L148 HydrophobicContact CG1-CD1 4.32Å; I123-W162 HydrophobicContact CB-CH2 4.36Å; I123-W162 HydrophobicContact CB-CZ2 3.8Å; I123-W162 HydrophobicContact CD1-CZ2 4.33Å; I123-W162 VanDerWaalsContact CD1-NE1 3.35Å; I123-W162 HydrophobicContact CG2-CD2 3.95Å; I123-W162 HydrophobicContact CG2-CE3 4.22Å; I123-W162 HydrophobicContact CG2-CH2 3.82Å; I123-W162 HydrophobicContact CG2-CZ2 3.52Å; I123-W162 HydrophobicContact CG2-CZ3 4.17Å |
| 124 | R | 86.6 | Confident | 83.9 | Confident | 145 Ų | 145 | 42.9 Ų | 42.9 | 55% | 0.547 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.8 | -28.9 | 173 | -71 | 179.1 | -158.5 | 146 | 6.7 | 113.5 | G120 L122 P128 W162 | G120-R124 VanDerWaalsContact O-CG 3.3Å; G120-R124 WeakPolarHBondContact O-CG 3.02Å; G120-R124 PolarHBondContact O-N 2.88Å; G120-R124 VanDerWaalsContact O-N 3.07Å; L122-R124 VanDerWaalsContact C-N 3.33Å; L122-R124 PolarHBondContact O-N 3.43Å; R124-P128 WeakPolarHBondContact O-CD 3.37Å; R124-W162 HydrophobicContact CG-CH2 3.98Å |
| 125 | C | 87.2 | Confident | 84 | Confident | 17 Ų | 17 | 45 Ų | 45 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -75.1 | -29.7 | 175.6 | -169.7 | 0 | 0 | 0 | 0 | 112.7 | M85 K89 S121 L122 I123 | M85-C125 HydrophobicContact CE-CB 3.91Å; K89-C125 WeakPolarHBondContact CE-SG 3.36Å; S121-C125 PolarHBondContact O-N 2.77Å; L122-C125 WeakPolarHBondContact O-CA 3.33Å; L122-C125 VanDerWaalsContact O-CB 3.27Å; L122-C125 WeakPolarHBondContact O-CB 3.16Å; L122-C125 PolarHBondContact O-N 3.18Å; I123-C125 PolarHBondContact O-N 3.22Å |
| 126 | V | 85.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -86.2 | -31.1 | -179.9 | -178 | 0 | 0 | 0 | 0 | 111.7 | V88 L122 I123 P128 N129 A141 L144 I145 | V88-V126 HydrophobicContact CG1-CB 4.28Å; V88-V126 HydrophobicContact CG1-CG2 3.74Å; V88-V126 HydrophobicContact CG2-CG2 4.23Å; L122-V126 WeakPolarHBondContact O-CG2 3.25Å; L122-V126 PolarHBondContact O-N 3.2Å; L122-V126 VanDerWaalsContact O-N 3.12Å; I123-V126 PolarHBondContact O-N 3.36Å; I123-V126 VanDerWaalsContact O-N 3.07Å; V126-P128 VanDerWaalsContact C-CD 3.46Å; V126-N129 WeakPolarHBondContact O-CA 3.27Å; V126-N129 WeakPolarHBondContact O-CB 3.44Å; V126-N129 PolarHBondContact O-N 2.71Å; V126-A141 HydrophobicContact CG1-CB 3.85Å; V126-L144 HydrophobicContact CG1-CD2 3.98Å; V126-L144 HydrophobicContact CG2-CD2 3.63Å; V126-L144 HydrophobicContact CG2-CG 4.44Å; V126-I145 HydrophobicContact CB-CD1 4.31Å; V126-I145 HydrophobicContact CB-CG1 4.12Å; V126-I145 HydrophobicContact CG1-CD1 3.89Å; V126-I145 HydrophobicContact CG1-CG1 3.75Å |
| 127 | L | 85 | Confident | 84.6 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -46.1 | -46.5 | -178.2 | -104.4 | 146.5 | 0 | 0 | 0 | 114.9 | I123 N129 L130 W162 Y165 | I123-L127 HydrophobicContact CG2-CD1 4.04Å; I123-L127 PolarHBondContact O-N 2.81Å; L127-N129 PolarHBondContact O-N 2.87Å; L127-N129 VanDerWaalsContact O-N 3.14Å; L127-L130 HydrophobicContact CD2-CD1 4.3Å; L127-L130 WeakPolarHBondContact O-CB 3.25Å; L127-L130 PolarHBondContact O-N 3.11Å; L127-L130 VanDerWaalsContact O-N 3.13Å; L127-W162 HydrophobicContact CD1-CE3 4.23Å; L127-W162 HydrophobicContact CD1-CH2 3.92Å; L127-W162 HydrophobicContact CD1-CZ3 3.5Å; L127-W162 VanDerWaalsContact CD1-CZ3 3.5Å; L127-Y165 HydrophobicContact CD1-CE1 4.41Å; L127-Y165 HydrophobicContact CD2-CD1 4.5Å; L127-Y165 HydrophobicContact CD2-CE1 3.74Å |
| 128 | P | 85.5 | Confident | 85 | Confident | 72 Ų | 72 | 36.2 Ų | 36.2 | 47% | 0.468 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -59 | -26.9 | 176.7 | -24.8 | 34.7 | 0 | 0 | 0 | 113.9 | R124 V126 L130 Q131 | R124-P128 WeakPolarHBondContact O-CD 3.37Å; V126-P128 VanDerWaalsContact C-CD 3.46Å; P128-L130 PolarHBondContact O-N 3.44Å; P128-Q131 WeakPolarHBondContact O-CB 3.33Å; P128-Q131 PolarHBondContact O-N 3.36Å; P128-Q131 VanDerWaalsContact O-N 3.07Å |
| 129 | N | 86.4 | Confident | 85.1 | Confident | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -71.5 | -17.4 | -178.6 | -63.1 | 6.7 | 0 | 0 | 0 | 112.9 | V88 V126 L127 Q131 F132 A141 | V88-N129 WeakPolarHBondContact CG1-ND2 3.31Å; V88-N129 PolarHBondContact O-ND2 3.48Å; V126-N129 WeakPolarHBondContact O-CA 3.27Å; V126-N129 WeakPolarHBondContact O-CB 3.44Å; V126-N129 PolarHBondContact O-N 2.71Å; L127-N129 PolarHBondContact O-N 2.87Å; L127-N129 VanDerWaalsContact O-N 3.14Å; N129-Q131 PolarHBondContact O-N 3.27Å; N129-F132 VanDerWaalsContact CA-CD2 3.44Å; N129-F132 HydrophobicContact CB-CD2 3.62Å; N129-F132 HydrophobicContact CB-CE2 3.68Å; N129-F132 WeakPolarHBondContact O-CD2 3.35Å; N129-F132 PolarHBondContact O-N 3.03Å; N129-F132 WeakPolarHBondContact OD1-CE2 3.4Å; N129-A141 HydrophobicContact CB-CB 3.78Å |
| 130 | L | 83.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -65.7 | -19.5 | 170.8 | -64.7 | 171.4 | 0 | 0 | 0 | 112 | L127 P128 R138 A141 A142 I145 G184 L188 | L127-L130 HydrophobicContact CD2-CD1 4.3Å; L127-L130 WeakPolarHBondContact O-CB 3.25Å; L127-L130 PolarHBondContact O-N 3.11Å; L127-L130 VanDerWaalsContact O-N 3.13Å; P128-L130 PolarHBondContact O-N 3.44Å; L130-R138 WeakPolarHBondContact O-CD 3.15Å; L130-R138 VanDerWaalsContact O-CG 3.23Å; L130-R138 WeakPolarHBondContact O-CG 3.46Å; L130-A141 HydrophobicContact CD2-CB 3.97Å; L130-A141 HydrophobicContact CG-CB 4.44Å; L130-A142 HydrophobicContact CD2-CB 4.01Å; L130-I145 HydrophobicContact CD1-CD1 3.86Å; L130-I145 HydrophobicContact CD2-CD1 4.41Å; L130-I145 HydrophobicContact CG-CD1 4.23Å; L130-G184 WeakPolarHBondContact O-CA 3.48Å; L130-L188 HydrophobicContact CD1-CD2 3.85Å |
| 131 | Q | 86.5 | Confident | 85.5 | Confident | 88 Ų | 88 | 39 Ų | 39 | 41% | 0.411 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -96.1 | 0.6 | -179.1 | -51.4 | 174.8 | 18.6 | 0 | 0 | 113 | P128 N129 T180 H181 | P128-Q131 WeakPolarHBondContact O-CB 3.33Å; P128-Q131 PolarHBondContact O-N 3.36Å; P128-Q131 VanDerWaalsContact O-N 3.07Å; N129-Q131 PolarHBondContact O-N 3.27Å; Q131-T180 WeakPolarHBondContact O-CB 3.43Å; Q131-T180 PolarHBondContact O-OG1 3.35Å; Q131-H181 HydrophobicContact CG-CB 4.26Å; Q131-H181 WeakPolarHBondContact CG-CD2 3.18Å; Q131-H181 PolarHBondContact NE2-CD2 3.28Å; Q131-H181 PolarHBondContact NE2-NE2 3.48Å |
| 132 | F | 83 | Confident | 85.7 | Confident | 64 Ų | 64 | 37 Ų | 37 | 28% | 0.281 | 20% | 0.195 | S | C | . | . | trans | -62.3 | 147.6 | -178.8 | -86.5 | -46.3 | 0 | 0 | 0 | 112.4 | H96 N129 S134 A137 R138 | H96-F132 AromaticContact CE1-CE2 3.75Å; N129-F132 VanDerWaalsContact CA-CD2 3.44Å; N129-F132 HydrophobicContact CB-CD2 3.62Å; N129-F132 HydrophobicContact CB-CE2 3.68Å; N129-F132 WeakPolarHBondContact O-CD2 3.35Å; N129-F132 PolarHBondContact O-N 3.03Å; N129-F132 WeakPolarHBondContact OD1-CE2 3.4Å; F132-S134 VanDerWaalsContact C-N 3.27Å; F132-S134 PolarHBondContact O-N 3.09Å; F132-A137 HydrophobicContact CB-CB 4.09Å; F132-A137 HydrophobicContact CD2-CB 3.96Å; F132-A137 HydrophobicContact CG-CB 4.39Å; F132-R138 HydrophobicContact CB-CG 4.43Å; F132-R138 WeakPolarHBondContact O-CD 3.21Å; F132-R138 WeakPolarHBondContact O-CG 3.32Å; F132-R138 PolarHBondContact O-NE 3.4Å | ||
| 133 | P | 82.8 | Confident | 85.9 | Confident | 109 Ų | 109 | 38.4 Ų | 38.4 | 71% | 0.708 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -66.8 | -30 | 177.6 | 26.2 | -32.2 | 0 | 0 | 0 | 112.2 | ||
| 134 | S | 85.6 | Confident | 86 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | trans | -72.2 | 129.9 | 177.7 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | E93 F132 T136 R138 | E93-S134 WeakPolarHBondContact OE1-CB 3.41Å; E93-S134 PolarHBondContact OE1-OG 3Å; F132-S134 VanDerWaalsContact C-N 3.27Å; F132-S134 PolarHBondContact O-N 3.09Å; S134-T136 PolarHBondContact OG-OG1 3.18Å; S134-R138 WeakPolarHBondContact O-CG 3.38Å; S134-R138 PolarHBondContact O-N 3.02Å | ||
| 135 | A | 84.1 | Confident | 86 | Confident | 52 Ų | 52 | 31.7 Ų | 31.7 | 43% | 0.43 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.9 | -34.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R138 R139 | A135-R138 PolarHBondContact O-N 3.32Å; A135-R139 PolarHBondContact O-N 3.32Å |
| 136 | T | 85.2 | Confident | 85.9 | Confident | 25 Ų | 25 | 31.1 Ų | 31.1 | 15% | 0.153 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -45.7 | 178.8 | 55 | 0 | 0 | 0 | 0 | 110.5 | E93 S134 R138 R139 S140 L362 | E93-T136 PolarHBondContact OE2-OG1 3.34Å; S134-T136 PolarHBondContact OG-OG1 3.18Å; T136-R138 PolarHBondContact O-N 2.59Å; T136-R139 PolarHBondContact O-N 2.85Å; T136-S140 WeakPolarHBondContact O-CB 3.41Å; T136-S140 PolarHBondContact O-N 3.33Å; T136-S140 PolarHBondContact O-OG 3.21Å; T136-S140 VanDerWaalsContact O-OG 3.1Å; T136-L362 HydrophobicContact CG2-CD1 4.12Å; T136-L362 HydrophobicContact CG2-CD2 4.11Å |
| 137 | A | 84.6 | Confident | 85.9 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.6 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H96 F132 A141 | H96-A137 WeakPolarHBondContact ND1-CB 3.43Å; F132-A137 HydrophobicContact CB-CB 4.09Å; F132-A137 HydrophobicContact CD2-CB 3.96Å; F132-A137 HydrophobicContact CG-CB 4.39Å; A137-A141 WeakPolarHBondContact O-CB 3.42Å; A137-A141 PolarHBondContact O-N 3.16Å |
| 138 | R | 88 | Confident | 85.9 | Confident | 32 Ų | 32 | 31.8 Ų | 31.8 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 177.3 | -71.1 | -173.4 | -72.7 | 165.4 | 2.1 | 112.6 | L130 F132 S134 A135 T136 A141 A142 T180 L183 | L130-R138 WeakPolarHBondContact O-CD 3.15Å; L130-R138 VanDerWaalsContact O-CG 3.23Å; L130-R138 WeakPolarHBondContact O-CG 3.46Å; F132-R138 HydrophobicContact CB-CG 4.43Å; F132-R138 WeakPolarHBondContact O-CD 3.21Å; F132-R138 WeakPolarHBondContact O-CG 3.32Å; F132-R138 PolarHBondContact O-NE 3.4Å; S134-R138 WeakPolarHBondContact O-CG 3.38Å; S134-R138 PolarHBondContact O-N 3.02Å; A135-R138 PolarHBondContact O-N 3.32Å; T136-R138 PolarHBondContact O-N 2.59Å; R138-A141 PolarHBondContact O-N 2.99Å; R138-A142 WeakPolarHBondContact O-CB 3.43Å; R138-A142 PolarHBondContact O-N 2.69Å; R138-T180 PolarHBondContact NH1-O 2.87Å; R138-L183 VanDerWaalsContact NH1-CD1 3.26Å |
| 139 | R | 86 | Confident | 85.8 | Confident | 89 Ų | 89 | 28.3 Ų | 28.3 | 34% | 0.336 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 177.1 | -172.1 | -176.8 | -62.5 | 165.2 | -0.5 | 112.3 | A135 T136 A141 A142 V143 L187 | A135-R139 PolarHBondContact O-N 3.32Å; T136-R139 PolarHBondContact O-N 2.85Å; R139-A141 VanDerWaalsContact C-N 3.31Å; R139-A141 PolarHBondContact O-N 3.47Å; R139-A142 PolarHBondContact O-N 2.63Å; R139-V143 HydrophobicContact CG-CG2 4.49Å; R139-V143 WeakPolarHBondContact O-CG2 3.43Å; R139-V143 PolarHBondContact O-N 2.95Å; R139-L187 HydrophobicContact CB-CD2 3.79Å; R139-L187 HydrophobicContact CG-CD2 4.07Å |
| 140 | S | 87.1 | Confident | 85.5 | Confident | 14 Ų | 14 | 28.4 Ų | 28.4 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -38.9 | 176.9 | -62 | 0 | 0 | 0 | 0 | 112.2 | H96 E97 T136 L144 | H96-S140 WeakPolarHBondContact O-CB 3.3Å; H96-S140 PolarHBondContact O-OG 3.12Å; H96-S140 VanDerWaalsContact O-OG 3.11Å; E97-S140 WeakPolarHBondContact CA-OG 3.46Å; T136-S140 WeakPolarHBondContact O-CB 3.41Å; T136-S140 PolarHBondContact O-N 3.33Å; T136-S140 PolarHBondContact O-OG 3.21Å; T136-S140 VanDerWaalsContact O-OG 3.1Å; S140-L144 WeakPolarHBondContact O-CB 3.49Å; S140-L144 PolarHBondContact O-N 2.68Å |
| 141 | A | 88.6 | Confident | 85.3 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.033 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V126 N129 L130 A137 R138 R139 L144 I145 | V126-A141 HydrophobicContact CG1-CB 3.85Å; N129-A141 HydrophobicContact CB-CB 3.78Å; L130-A141 HydrophobicContact CD2-CB 3.97Å; L130-A141 HydrophobicContact CG-CB 4.44Å; A137-A141 WeakPolarHBondContact O-CB 3.42Å; A137-A141 PolarHBondContact O-N 3.16Å; R138-A141 PolarHBondContact O-N 2.99Å; R139-A141 VanDerWaalsContact C-N 3.31Å; R139-A141 PolarHBondContact O-N 3.47Å; A141-L144 PolarHBondContact O-N 3.32Å; A141-I145 WeakPolarHBondContact O-CG1 3.48Å; A141-I145 PolarHBondContact O-N 3.19Å |
| 142 | A | 88.7 | Confident | 85 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -48.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L130 R138 R139 L144 I145 A146 L187 L188 | L130-A142 HydrophobicContact CD2-CB 4.01Å; R138-A142 WeakPolarHBondContact O-CB 3.43Å; R138-A142 PolarHBondContact O-N 2.69Å; R139-A142 PolarHBondContact O-N 2.63Å; A142-L144 VanDerWaalsContact C-N 3.31Å; A142-L144 PolarHBondContact O-N 3.21Å; A142-I145 PolarHBondContact O-N 3.12Å; A142-A146 WeakPolarHBondContact O-CB 3.49Å; A142-A146 PolarHBondContact O-N 3.16Å; A142-L187 HydrophobicContact CB-CD2 3.93Å; A142-L188 HydrophobicContact CB-CB 4.24Å; A142-L188 HydrophobicContact CB-CD1 4.39Å; A142-L188 WeakPolarHBondContact O-CD1 3.26Å |
| 143 | V | 88.7 | Confident | 84.5 | Confident | 30 Ų | 30 | 32.7 Ų | 32.7 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | R139 I145 A146 E147 | R139-V143 HydrophobicContact CG-CG2 4.49Å; R139-V143 WeakPolarHBondContact O-CG2 3.43Å; R139-V143 PolarHBondContact O-N 2.95Å; V143-I145 PolarHBondContact O-N 3.28Å; V143-A146 PolarHBondContact O-N 3.14Å; V143-E147 HydrophobicContact CG1-CG 4.05Å; V143-E147 WeakPolarHBondContact O-CB 3.47Å; V143-E147 WeakPolarHBondContact O-CG 3.23Å; V143-E147 PolarHBondContact O-N 3.17Å |
| 144 | L | 86.7 | Confident | 84 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 179.3 | -179.1 | 64.8 | 0 | 0 | 0 | 112.1 | V88 I99 F107 V126 S140 A141 A142 L148 | V88-L144 HydrophobicContact CG2-CD2 3.98Å; I99-L144 HydrophobicContact CG2-CD1 3.86Å; I99-L144 HydrophobicContact CG2-CD2 3.94Å; I99-L144 HydrophobicContact CG2-CG 4.45Å; F107-L144 HydrophobicContact CD2-CD1 4.18Å; F107-L144 HydrophobicContact CE2-CD1 3.21Å; F107-L144 HydrophobicContact CZ-CD1 3.71Å; V126-L144 HydrophobicContact CG1-CD2 3.98Å; V126-L144 HydrophobicContact CG2-CD2 3.63Å; V126-L144 HydrophobicContact CG2-CG 4.44Å; S140-L144 WeakPolarHBondContact O-CB 3.49Å; S140-L144 PolarHBondContact O-N 2.68Å; A141-L144 PolarHBondContact O-N 3.32Å; A142-L144 VanDerWaalsContact C-N 3.31Å; A142-L144 PolarHBondContact O-N 3.21Å; L144-L148 HydrophobicContact CD1-CD1 4.34Å; L144-L148 HydrophobicContact CG-CD1 4.12Å; L144-L148 WeakPolarHBondContact O-CB 3.37Å; L144-L148 WeakPolarHBondContact O-CG 3.18Å; L144-L148 PolarHBondContact O-N 3.28Å |
| 145 | I | 87.3 | Confident | 83.4 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 177.7 | -66.7 | 166.6 | 0 | 0 | 0 | 110.3 | I123 V126 L130 A141 A142 V143 L148 C149 L188 | I123-I145 HydrophobicContact CG2-CG1 4.49Å; I123-I145 HydrophobicContact CG2-CG2 4.24Å; V126-I145 HydrophobicContact CB-CD1 4.31Å; V126-I145 HydrophobicContact CB-CG1 4.12Å; V126-I145 HydrophobicContact CG1-CD1 3.89Å; V126-I145 HydrophobicContact CG1-CG1 3.75Å; L130-I145 HydrophobicContact CD1-CD1 3.86Å; L130-I145 HydrophobicContact CD2-CD1 4.41Å; L130-I145 HydrophobicContact CG-CD1 4.23Å; A141-I145 WeakPolarHBondContact O-CG1 3.48Å; A141-I145 PolarHBondContact O-N 3.19Å; A142-I145 PolarHBondContact O-N 3.12Å; V143-I145 PolarHBondContact O-N 3.28Å; I145-L148 PolarHBondContact O-N 3.22Å; I145-C149 PolarHBondContact O-N 3.08Å; I145-C149 PolarHBondContact O-SG 3.47Å; I145-L188 HydrophobicContact CB-CD1 3.85Å; I145-L188 HydrophobicContact CD1-CD2 4.18Å; I145-L188 HydrophobicContact CG2-CD1 3.79Å; I145-L188 HydrophobicContact CG2-CD2 4.12Å |
| 146 | A | 86 | Confident | 82.6 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.033 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -47.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A142 V143 L148 C149 A150 H191 L192 I195 | A142-A146 WeakPolarHBondContact O-CB 3.49Å; A142-A146 PolarHBondContact O-N 3.16Å; V143-A146 PolarHBondContact O-N 3.14Å; A146-L148 PolarHBondContact O-N 2.94Å; A146-C149 PolarHBondContact O-N 3.39Å; A146-A150 WeakPolarHBondContact O-CB 3.41Å; A146-A150 PolarHBondContact O-N 3.5Å; A146-H191 HydrophobicContact CB-CB 3.63Å; A146-L192 HydrophobicContact CB-CD2 4.47Å; A146-I195 HydrophobicContact CB-CD1 3.79Å; A146-I195 VanDerWaalsContact O-CD1 3.3Å; A146-I195 WeakPolarHBondContact O-CD1 3.39Å |
| 147 | E | 84.8 | Confident | 81.9 | Confident | 38 Ų | 38 | 33.4 Ų | 33.4 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 177.9 | -70.5 | -72.6 | 174.3 | 0 | 0 | 112.6 | N104 F107 V143 C149 A150 H151 | N104-E147 WeakPolarHBondContact CA-OE2 3.47Å; N104-E147 PolarHBondContact ND2-OE1 3.25Å; N104-E147 PolarHBondContact ND2-OE2 2.81Å; F107-E147 HydrophobicContact CD2-CB 4.45Å; V143-E147 HydrophobicContact CG1-CG 4.05Å; V143-E147 WeakPolarHBondContact O-CB 3.47Å; V143-E147 WeakPolarHBondContact O-CG 3.23Å; V143-E147 PolarHBondContact O-N 3.17Å; E147-C149 VanDerWaalsContact C-N 3.33Å; E147-C149 PolarHBondContact O-N 2.9Å; E147-A150 PolarHBondContact O-N 3.49Å; E147-H151 PolarHBondContact O-CD2 3.45Å; E147-H151 PolarHBondContact O-N 2.81Å; E147-H151 VanDerWaalsContact O-N 3.16Å; E147-H151 IonicContact OE2-CD2 3.19Å; E147-H151 IonicContact OE2-NE2 2.93Å; E147-H151 PolarHBondContact OE2-NE2 2.96Å |
| 148 | L | 85.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 173.3 | -77.7 | 170.7 | 0 | 0 | 0 | 112.2 | F107 F114 L119 L122 I123 L144 I145 A146 S152 | F107-L148 HydrophobicContact CD1-CD2 3.46Å; F107-L148 VanDerWaalsContact CD1-CD2 3.46Å; F107-L148 HydrophobicContact CD1-CG 4.49Å; F107-L148 HydrophobicContact CD2-CD2 4.04Å; F107-L148 HydrophobicContact CD2-CG 4.26Å; F107-L148 HydrophobicContact CE1-CD2 3.55Å; F107-L148 HydrophobicContact CE2-CD2 4.18Å; F107-L148 HydrophobicContact CE2-CG 4.34Å; F107-L148 HydrophobicContact CG-CD2 3.74Å; F107-L148 HydrophobicContact CG-CG 4.39Å; F107-L148 HydrophobicContact CZ-CD2 3.93Å; F107-L148 HydrophobicContact CZ-CG 4.45Å; F114-L148 HydrophobicContact CE2-CD2 4.37Å; L119-L148 HydrophobicContact CD1-CB 4.13Å; L119-L148 HydrophobicContact CD1-CD2 4.04Å; L122-L148 HydrophobicContact CD2-CD1 3.61Å; L122-L148 HydrophobicContact CD2-CD2 3.74Å; L122-L148 HydrophobicContact CD2-CG 4.36Å; L122-L148 HydrophobicContact CG-CD1 4.02Å; I123-L148 HydrophobicContact CG1-CD1 4.32Å; L144-L148 HydrophobicContact CD1-CD1 4.34Å; L144-L148 HydrophobicContact CG-CD1 4.12Å; L144-L148 WeakPolarHBondContact O-CB 3.37Å; L144-L148 WeakPolarHBondContact O-CG 3.18Å; L144-L148 PolarHBondContact O-N 3.28Å; I145-L148 PolarHBondContact O-N 3.22Å; A146-L148 PolarHBondContact O-N 2.94Å; L148-S152 WeakPolarHBondContact O-CB 3.38Å; L148-S152 PolarHBondContact O-N 3.35Å |
| 149 | C | 81.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.1 | -43 | 175.8 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | I145 A146 E147 H151 S152 T159 | I145-C149 PolarHBondContact O-N 3.08Å; I145-C149 PolarHBondContact O-SG 3.47Å; A146-C149 PolarHBondContact O-N 3.39Å; E147-C149 VanDerWaalsContact C-N 3.33Å; E147-C149 PolarHBondContact O-N 2.9Å; C149-H151 PolarHBondContact O-N 3.46Å; C149-S152 PolarHBondContact O-N 3.19Å; C149-S152 PolarHBondContact O-OG 3.13Å; C149-T159 HydrophobicContact CB-CG2 3.61Å |
| 150 | A | 80.1 | Confident | 80.3 | Confident | 12 Ų | 12 | 29.3 Ų | 29.3 | 10% | 0.099 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A146 E147 R155 I195 | A146-A150 WeakPolarHBondContact O-CB 3.41Å; A146-A150 PolarHBondContact O-N 3.5Å; E147-A150 PolarHBondContact O-N 3.49Å; A150-R155 VanDerWaalsContact O-CD 3.23Å; A150-R155 WeakPolarHBondContact O-CD 3.43Å; A150-R155 WeakPolarHBondContact O-CG 3.39Å; A150-I195 HydrophobicContact CB-CD1 3.93Å; A150-I195 HydrophobicContact CB-CG1 4.29Å; A150-I195 HydrophobicContact CB-CG2 4.21Å |
| 151 | H | 81.4 | Confident | 79.9 | Confident | 44 Ų | 44 | 34.4 Ų | 34.4 | 20% | 0.204 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 6.8 | -176 | -63 | -56.2 | 0 | 0 | 0 | 114.5 | F107 S111 L112 E147 C149 | F107-H151 HydrophobicContact CB-CB 4.49Å; F107-H151 WeakPolarHBondContact O-CB 3.26Å; S111-H151 WeakPolarHBondContact OG-CB 3.38Å; S111-H151 PolarHBondContact OG-O 3.12Å; L112-H151 WeakPolarHBondContact CD2-O 3.46Å; E147-H151 PolarHBondContact O-CD2 3.45Å; E147-H151 PolarHBondContact O-N 2.81Å; E147-H151 VanDerWaalsContact O-N 3.16Å; E147-H151 IonicContact OE2-CD2 3.19Å; E147-H151 IonicContact OE2-NE2 2.93Å; E147-H151 PolarHBondContact OE2-NE2 2.96Å; C149-H151 PolarHBondContact O-N 3.46Å |
| 152 | S | 79.6 | Confident | 79.3 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -66.1 | 156 | 178.5 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | L148 C149 K154 R155 | L148-S152 WeakPolarHBondContact O-CB 3.38Å; L148-S152 PolarHBondContact O-N 3.35Å; C149-S152 PolarHBondContact O-N 3.19Å; C149-S152 PolarHBondContact O-OG 3.13Å; S152-K154 PolarHBondContact O-N 3.47Å; S152-R155 PolarHBondContact O-N 3.49Å; S152-R155 WeakPolarHBondContact OG-CA 3.39Å; S152-R155 PolarHBondContact OG-N 3.11Å |
| 153 | R | 71.4 | Confident | 78.8 | Confident | 191 Ų | 191 | 35.1 Ų | 35.1 | 72% | 0.721 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.3 | 179.2 | -168.9 | 177.1 | -178 | -176.9 | 2.7 | 113.6 | ||
| 154 | K | 72.6 | Confident | 78.3 | Confident | 96 Ų | 96 | 35.7 Ų | 35.7 | 42% | 0.417 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | 65.1 | 177 | -64.2 | 176 | -176.2 | 158.1 | 0 | 110.4 | D116 S152 S156 D157 V158 | D116-K154 IonicContact OD2-NZ 3.62Å; D116-K154 PolarHBondContact OD2-NZ 3.12Å; S152-K154 PolarHBondContact O-N 3.47Å; K154-S156 VanDerWaalsContact C-N 3.33Å; K154-S156 PolarHBondContact O-N 2.93Å; K154-S156 VanDerWaalsContact O-N 3.17Å; K154-D157 HydrophobicContact CB-CB 4.14Å; K154-D157 PolarHBondContact O-N 3.49Å; K154-V158 HydrophobicContact CB-CG2 4.48Å; K154-V158 WeakPolarHBondContact O-CG2 3.29Å; K154-V158 PolarHBondContact O-N 3.26Å; K154-V158 VanDerWaalsContact O-N 3.07Å |
| 155 | R | 74 | Confident | 78.1 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 21% | 0.208 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -43.6 | -50.3 | -174.3 | -175.1 | 178.2 | 177.9 | 174.4 | -5 | 114.1 | A150 S152 T159 T199 E202 | A150-R155 VanDerWaalsContact O-CD 3.23Å; A150-R155 WeakPolarHBondContact O-CD 3.43Å; A150-R155 WeakPolarHBondContact O-CG 3.39Å; S152-R155 PolarHBondContact O-N 3.49Å; S152-R155 WeakPolarHBondContact OG-CA 3.39Å; S152-R155 PolarHBondContact OG-N 3.11Å; R155-T159 WeakPolarHBondContact O-CB 3.32Å; R155-T159 WeakPolarHBondContact O-CG2 3.25Å; R155-T159 PolarHBondContact O-N 3.39Å; R155-T159 VanDerWaalsContact O-N 3.13Å; R155-T159 PolarHBondContact O-OG1 3.03Å; R155-T199 HydrophobicContact CG-CG2 4.03Å; R155-E202 IonicContact CZ-OE2 2.66Å; R155-E202 IonicContact NH1-OE2 3.82Å; R155-E202 PolarHBondContact NH1-OE2 3.39Å; R155-E202 IonicContact NH2-OE2 2.75Å |
| 156 | S | 66.5 | Low | 77.8 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 20% | 0.203 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.8 | -43.6 | -177.3 | 53.6 | 0 | 0 | 0 | 0 | 114 | K154 V158 T159 S160 | K154-S156 VanDerWaalsContact C-N 3.33Å; K154-S156 PolarHBondContact O-N 2.93Å; K154-S156 VanDerWaalsContact O-N 3.17Å; S156-V158 PolarHBondContact O-N 2.92Å; S156-T159 WeakPolarHBondContact CA-OG1 3.43Å; S156-T159 PolarHBondContact O-OG1 2.88Å; S156-T159 VanDerWaalsContact O-OG1 3.13Å; S156-S160 VanDerWaalsContact O-CB 3.32Å; S156-S160 WeakPolarHBondContact O-CB 3.48Å; S156-S160 PolarHBondContact O-N 3.36Å; S156-S160 PolarHBondContact O-OG 2.87Å |
| 157 | D | 70.5 | Confident | 77.4 | Confident | 46 Ų | 46 | 39.9 Ų | 39.9 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.3 | -39.1 | -179.2 | -64.9 | -21.5 | 0 | 0 | 0 | 110.9 | K154 S160 F161 R214 | K154-D157 HydrophobicContact CB-CB 4.14Å; K154-D157 PolarHBondContact O-N 3.49Å; D157-S160 PolarHBondContact O-OG 2.79Å; D157-F161 WeakPolarHBondContact O-CB 3.21Å; D157-F161 PolarHBondContact O-N 3.43Å; D157-R214 WeakPolarHBondContact OD1-CD 3.48Å; D157-R214 IonicContact OD1-NH1 3.98Å; D157-R214 PolarHBondContact OD1-NH1 3.44Å; D157-R214 IonicContact OD2-NH1 3.84Å; D157-R214 PolarHBondContact OD2-NH1 2.77Å |
| 158 | V | 74.5 | Confident | 77.2 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 11% | 0.109 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.8 | -45.7 | -179.2 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | L119 K154 S156 F161 W162 | L119-V158 HydrophobicContact CD2-CG1 4Å; L119-V158 HydrophobicContact CD2-CG2 4.24Å; K154-V158 HydrophobicContact CB-CG2 4.48Å; K154-V158 WeakPolarHBondContact O-CG2 3.29Å; K154-V158 PolarHBondContact O-N 3.26Å; K154-V158 VanDerWaalsContact O-N 3.07Å; S156-V158 PolarHBondContact O-N 2.92Å; V158-F161 PolarHBondContact O-N 2.99Å; V158-W162 PolarHBondContact O-N 2.95Å |
| 159 | T | 75.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 178.4 | 44.9 | 0 | 0 | 0 | 0 | 112 | C149 R155 S156 W162 L163 I195 | C149-T159 HydrophobicContact CB-CG2 3.61Å; R155-T159 WeakPolarHBondContact O-CB 3.32Å; R155-T159 WeakPolarHBondContact O-CG2 3.25Å; R155-T159 PolarHBondContact O-N 3.39Å; R155-T159 VanDerWaalsContact O-N 3.13Å; R155-T159 PolarHBondContact O-OG1 3.03Å; S156-T159 WeakPolarHBondContact CA-OG1 3.43Å; S156-T159 PolarHBondContact O-OG1 2.88Å; S156-T159 VanDerWaalsContact O-OG1 3.13Å; T159-W162 PolarHBondContact O-N 3.33Å; T159-L163 WeakPolarHBondContact O-CB 3.11Å; T159-L163 PolarHBondContact O-N 2.91Å; T159-I195 HydrophobicContact CG2-CG2 4.11Å |
| 160 | S | 73.9 | Confident | 76.6 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -42 | 177.2 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | S156 D157 L163 V164 | S156-S160 VanDerWaalsContact O-CB 3.32Å; S156-S160 WeakPolarHBondContact O-CB 3.48Å; S156-S160 PolarHBondContact O-N 3.36Å; S156-S160 PolarHBondContact O-OG 2.87Å; D157-S160 PolarHBondContact O-OG 2.79Å; S160-L163 PolarHBondContact O-N 3.47Å; S160-V164 WeakPolarHBondContact O-CG2 3.17Å; S160-V164 PolarHBondContact O-N 3.47Å; S160-V164 VanDerWaalsContact O-N 3.08Å |
| 161 | F | 79.5 | Confident | 76.2 | Confident | 122 Ų | 122 | 48.6 Ų | 48.6 | 54% | 0.535 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 176.5 | 176.4 | -93.7 | 0 | 0 | 0 | 112.3 | D157 V158 V164 Y165 | D157-F161 WeakPolarHBondContact O-CB 3.21Å; D157-F161 PolarHBondContact O-N 3.43Å; V158-F161 PolarHBondContact O-N 2.99Å; F161-V164 PolarHBondContact O-N 3.28Å; F161-Y165 PolarHBondContact O-N 2.73Å |
| 162 | W | 76.8 | Confident | 75.8 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.5 | -29.2 | -178.9 | -70 | 114 | 0 | 0 | 0 | 113 | I123 R124 L127 V158 T159 Y165 I166 | I123-W162 HydrophobicContact CB-CH2 4.36Å; I123-W162 HydrophobicContact CB-CZ2 3.8Å; I123-W162 HydrophobicContact CD1-CZ2 4.33Å; I123-W162 VanDerWaalsContact CD1-NE1 3.35Å; I123-W162 HydrophobicContact CG2-CD2 3.95Å; I123-W162 HydrophobicContact CG2-CE3 4.22Å; I123-W162 HydrophobicContact CG2-CH2 3.82Å; I123-W162 HydrophobicContact CG2-CZ2 3.52Å; I123-W162 HydrophobicContact CG2-CZ3 4.17Å; R124-W162 HydrophobicContact CG-CH2 3.98Å; L127-W162 HydrophobicContact CD1-CE3 4.23Å; L127-W162 HydrophobicContact CD1-CH2 3.92Å; L127-W162 HydrophobicContact CD1-CZ3 3.5Å; L127-W162 VanDerWaalsContact CD1-CZ3 3.5Å; V158-W162 PolarHBondContact O-N 2.95Å; T159-W162 PolarHBondContact O-N 3.33Å; W162-Y165 HydrophobicContact CE3-CD1 4.1Å; W162-Y165 HydrophobicContact CE3-CG 4.02Å; W162-Y165 HydrophobicContact CZ3-CD1 4.25Å; W162-Y165 HydrophobicContact CZ3-CD2 4.4Å; W162-Y165 HydrophobicContact CZ3-CG 4.17Å; W162-Y165 WeakPolarHBondContact O-CB 3.35Å; W162-Y165 PolarHBondContact O-N 3.26Å; W162-I166 WeakPolarHBondContact O-CD1 3.43Å; W162-I166 VanDerWaalsContact O-CG1 3.24Å; W162-I166 WeakPolarHBondContact O-CG1 3.48Å; W162-I166 PolarHBondContact O-N 3.45Å |
| 163 | L | 77.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 169.4 | -175.2 | 96.2 | 0 | 0 | 0 | 110.9 | T159 S160 Y165 I166 I167 L189 F196 I218 W223 | T159-L163 WeakPolarHBondContact O-CB 3.11Å; T159-L163 PolarHBondContact O-N 2.91Å; S160-L163 PolarHBondContact O-N 3.47Å; L163-Y165 PolarHBondContact O-N 3.33Å; L163-I166 PolarHBondContact O-N 2.93Å; L163-I166 VanDerWaalsContact O-N 3.13Å; L163-I167 HydrophobicContact CD2-CD1 3.76Å; L163-I167 HydrophobicContact CG-CD1 3.84Å; L163-I167 HydrophobicContact CG-CG1 4.34Å; L163-I167 VanDerWaalsContact O-CG1 3.24Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.38Å; L163-L189 HydrophobicContact CD1-CD2 3.9Å; L163-F196 HydrophobicContact CB-CE2 4.44Å; L163-F196 HydrophobicContact CB-CZ 3.93Å; L163-F196 HydrophobicContact CD1-CE2 3.55Å; L163-F196 HydrophobicContact CD1-CZ 3.91Å; L163-F196 HydrophobicContact CD2-CZ 4.48Å; L163-F196 HydrophobicContact CG-CE2 4.42Å; L163-F196 HydrophobicContact CG-CZ 4.31Å; L163-I218 HydrophobicContact CD2-CD1 3.87Å; L163-W223 HydrophobicContact CD1-CH2 4.41Å; L163-W223 HydrophobicContact CD2-CH2 3.49Å; L163-W223 VanDerWaalsContact CD2-CH2 3.49Å; L163-W223 HydrophobicContact CD2-CZ2 3.8Å; L163-W223 HydrophobicContact CD2-CZ3 3.97Å |
| 164 | V | 79 | Confident | 74.7 | Confident | 42 Ų | 42 | 48 Ų | 48 | 26% | 0.255 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61 | -35.8 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | S160 F161 K168 I218 | S160-V164 WeakPolarHBondContact O-CG2 3.17Å; S160-V164 PolarHBondContact O-N 3.47Å; S160-V164 VanDerWaalsContact O-N 3.08Å; F161-V164 PolarHBondContact O-N 3.28Å; V164-K168 WeakPolarHBondContact O-CG 2.99Å; V164-K168 PolarHBondContact O-N 2.92Å; V164-K168 VanDerWaalsContact O-N 3.1Å; V164-I218 HydrophobicContact CG2-CG1 4.3Å |
| 165 | Y | 82.5 | Confident | 74 | Confident | 90 Ų | 90 | 46.6 Ų | 46.6 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.8 | -50.6 | 172.7 | -179.6 | -87.9 | 0 | 0 | 0 | 111.8 | L127 F161 W162 L163 I167 K168 E169 | L127-Y165 HydrophobicContact CD1-CE1 4.41Å; L127-Y165 HydrophobicContact CD2-CD1 4.5Å; L127-Y165 HydrophobicContact CD2-CE1 3.74Å; F161-Y165 PolarHBondContact O-N 2.73Å; W162-Y165 HydrophobicContact CE3-CD1 4.1Å; W162-Y165 HydrophobicContact CE3-CG 4.02Å; W162-Y165 HydrophobicContact CZ3-CD1 4.25Å; W162-Y165 HydrophobicContact CZ3-CD2 4.4Å; W162-Y165 HydrophobicContact CZ3-CG 4.17Å; W162-Y165 WeakPolarHBondContact O-CB 3.35Å; W162-Y165 PolarHBondContact O-N 3.26Å; L163-Y165 PolarHBondContact O-N 3.33Å; Y165-I167 PolarHBondContact O-N 2.97Å; Y165-K168 PolarHBondContact O-N 3.34Å; Y165-E169 HydrophobicContact CD1-CG 4.21Å; Y165-E169 HydrophobicContact CE1-CG 3.72Å; Y165-E169 PolarHBondContact O-N 3.36Å |
| 166 | I | 80.3 | Confident | 73.1 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 179.9 | -64.3 | 159.4 | 0 | 0 | 0 | 111.4 | W162 L163 K168 E169 L170 D185 L188 L189 L192 | W162-I166 WeakPolarHBondContact O-CD1 3.43Å; W162-I166 VanDerWaalsContact O-CG1 3.24Å; W162-I166 WeakPolarHBondContact O-CG1 3.48Å; W162-I166 PolarHBondContact O-N 3.45Å; L163-I166 PolarHBondContact O-N 2.93Å; L163-I166 VanDerWaalsContact O-N 3.13Å; I166-K168 VanDerWaalsContact C-N 3.29Å; I166-K168 PolarHBondContact O-N 2.9Å; I166-E169 PolarHBondContact O-N 3.46Å; I166-L170 HydrophobicContact CG2-CD1 3.87Å; I166-L170 HydrophobicContact CG2-CG 4.23Å; I166-L170 WeakPolarHBondContact O-CB 3.39Å; I166-L170 PolarHBondContact O-N 3.34Å; I166-D185 HydrophobicContact CG2-CB 4.19Å; I166-L188 HydrophobicContact CD1-CD2 3.38Å; I166-L188 HydrophobicContact CD1-CG 3.8Å; I166-L188 HydrophobicContact CG1-CD2 4.15Å; I166-L189 HydrophobicContact CG2-CD1 4.33Å; I166-L189 HydrophobicContact CG2-CD2 4.06Å; I166-L189 HydrophobicContact CG2-CG 4.04Å; I166-L192 HydrophobicContact CD1-CD1 3.54Å |
| 167 | I | 78.3 | Confident | 72.5 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 175.9 | -67.3 | 169.5 | 0 | 0 | 0 | 109.8 | L163 Y165 V171 L226 | L163-I167 HydrophobicContact CD2-CD1 3.76Å; L163-I167 HydrophobicContact CG-CD1 3.84Å; L163-I167 HydrophobicContact CG-CG1 4.34Å; L163-I167 VanDerWaalsContact O-CG1 3.24Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.38Å; Y165-I167 PolarHBondContact O-N 2.97Å; I167-V171 HydrophobicContact CG2-CG2 4.33Å; I167-V171 WeakPolarHBondContact O-CB 3.38Å; I167-V171 WeakPolarHBondContact O-CG2 3.33Å; I167-V171 PolarHBondContact O-N 3.07Å; I167-L226 HydrophobicContact CD1-CB 4.3Å; I167-L226 HydrophobicContact CD1-CD2 4.24Å; I167-L226 HydrophobicContact CG1-CB 4.06Å; I167-L226 HydrophobicContact CG1-CD1 4.14Å; I167-L226 HydrophobicContact CG1-CD2 4.12Å; I167-L226 HydrophobicContact CG1-CG 4.32Å; I167-L226 HydrophobicContact CG2-CB 4.43Å |
| 168 | K | 80.3 | Confident | 72.4 | Confident | 141 Ų | 141 | 60 Ų | 60 | 61% | 0.613 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 177.6 | -75.9 | 178.7 | 178.5 | -178.4 | 0 | 112.4 | V164 Y165 I166 M172 | V164-K168 WeakPolarHBondContact O-CG 2.99Å; V164-K168 PolarHBondContact O-N 2.92Å; V164-K168 VanDerWaalsContact O-N 3.1Å; Y165-K168 PolarHBondContact O-N 3.34Å; I166-K168 VanDerWaalsContact C-N 3.29Å; I166-K168 PolarHBondContact O-N 2.9Å; K168-M172 WeakPolarHBondContact O-CB 3.4Å; K168-M172 WeakPolarHBondContact O-CG 3.41Å; K168-M172 PolarHBondContact O-N 3Å |
| 169 | E | 77.1 | Confident | 72.6 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 176.6 | -74.2 | -65.5 | 149.3 | 0 | 0 | 111.7 | Y165 I166 V171 M172 L173 H181 | Y165-E169 HydrophobicContact CD1-CG 4.21Å; Y165-E169 HydrophobicContact CE1-CG 3.72Å; Y165-E169 PolarHBondContact O-N 3.36Å; I166-E169 PolarHBondContact O-N 3.46Å; E169-V171 VanDerWaalsContact C-N 3.27Å; E169-V171 PolarHBondContact O-N 3.38Å; E169-M172 PolarHBondContact O-N 3.14Å; E169-M172 VanDerWaalsContact O-N 3.09Å; E169-L173 WeakPolarHBondContact O-CD1 3.48Å; E169-L173 VanDerWaalsContact O-CG 3.25Å; E169-L173 WeakPolarHBondContact O-CG 2.92Å; E169-L173 PolarHBondContact O-N 3.41Å; E169-H181 IonicContact OE2-CE1 2.65Å |
| 170 | L | 77.1 | Confident | 72.9 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.9 | -35.5 | 179.4 | -77.6 | 173.4 | 0 | 0 | 0 | 113 | I166 V182 D185 L189 L226 Y233 | I166-L170 HydrophobicContact CG2-CD1 3.87Å; I166-L170 HydrophobicContact CG2-CG 4.23Å; I166-L170 WeakPolarHBondContact O-CB 3.39Å; I166-L170 PolarHBondContact O-N 3.34Å; L170-V182 HydrophobicContact CD2-CG1 4.49Å; L170-D185 HydrophobicContact CD1-CB 4.49Å; L170-D185 HydrophobicContact CD2-CB 3.79Å; L170-D185 HydrophobicContact CG-CB 4.09Å; L170-L189 HydrophobicContact CD1-CD1 3.49Å; L170-L189 VanDerWaalsContact CD1-CD1 3.49Å; L170-L226 HydrophobicContact CD1-CD1 4Å; L170-Y233 HydrophobicContact CD2-CE2 4.01Å; L170-Y233 PolarHBondContact O-OH 3.27Å |
| 171 | V | 72.5 | Confident | 73.3 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | I167 E169 L173 S174 K225 F275 | I167-V171 HydrophobicContact CG2-CG2 4.33Å; I167-V171 WeakPolarHBondContact O-CB 3.38Å; I167-V171 WeakPolarHBondContact O-CG2 3.33Å; I167-V171 PolarHBondContact O-N 3.07Å; E169-V171 VanDerWaalsContact C-N 3.27Å; E169-V171 PolarHBondContact O-N 3.38Å; V171-L173 VanDerWaalsContact C-N 3.3Å; V171-L173 PolarHBondContact O-N 2.75Å; V171-S174 PolarHBondContact O-N 2.93Å; V171-S174 PolarHBondContact O-OG 3.02Å; V171-K225 HydrophobicContact CG2-CB 4.13Å; V171-F275 HydrophobicContact CB-CZ 3.99Å; V171-F275 HydrophobicContact CG1-CE2 4.5Å; V171-F275 HydrophobicContact CG1-CZ 3.83Å; V171-F275 HydrophobicContact CG2-CE2 4.41Å; V171-F275 HydrophobicContact CG2-CZ 3.79Å |
| 172 | M | 71.9 | Confident | 73.5 | Confident | 155 Ų | 155 | 58.1 Ų | 58.1 | 76% | 0.764 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.7 | -23.6 | -179.5 | -72 | -76.9 | -83.2 | 0 | 0 | 113.7 | K168 E169 S174 | K168-M172 WeakPolarHBondContact O-CB 3.4Å; K168-M172 WeakPolarHBondContact O-CG 3.41Å; K168-M172 PolarHBondContact O-N 3Å; E169-M172 PolarHBondContact O-N 3.14Å; E169-M172 VanDerWaalsContact O-N 3.09Å; M172-S174 VanDerWaalsContact C-N 3.31Å |
| 173 | L | 66.1 | Low | 73.9 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.6 | -179.7 | -70.6 | 164.2 | 0 | 0 | 0 | 114.1 | E169 V171 G175 K176 H181 | E169-L173 WeakPolarHBondContact O-CD1 3.48Å; E169-L173 VanDerWaalsContact O-CG 3.25Å; E169-L173 WeakPolarHBondContact O-CG 2.92Å; E169-L173 PolarHBondContact O-N 3.41Å; V171-L173 VanDerWaalsContact C-N 3.3Å; V171-L173 PolarHBondContact O-N 2.75Å; L173-G175 PolarHBondContact O-N 3.06Å; L173-G175 VanDerWaalsContact O-N 3.11Å; L173-K176 PolarHBondContact O-N 3.4Å; L173-H181 VanDerWaalsContact CD1-ND1 3.32Å; L173-H181 WeakPolarHBondContact CD1-ND1 3.28Å |
| 174 | S | 61.9 | Low | 74.3 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 115 | 175.5 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | V171 M172 | V171-S174 PolarHBondContact O-N 2.93Å; V171-S174 PolarHBondContact O-OG 3.02Å; M172-S174 VanDerWaalsContact C-N 3.31Å |
| 175 | G | 58.5 | Low | 74.6 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 69% | 0.691 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.8 | 4.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | L173 | L173-G175 PolarHBondContact O-N 3.06Å; L173-G175 VanDerWaalsContact O-N 3.11Å |
| 176 | K | 55.9 | Low | 74.8 | Confident | 165 Ų | 165 | 52.1 Ų | 52.1 | 72% | 0.717 | 28% | 0.282 | S | S | * | . | trans | -120.8 | 134.8 | 176.9 | -70.7 | -179.5 | 178.8 | 174.5 | 0 | 113.1 | L173 S178 | L173-K176 PolarHBondContact O-N 3.4Å; K176-S178 VanDerWaalsContact C-N 3.3Å; K176-S178 PolarHBondContact O-N 2.97Å | ||
| 177 | E | 53.9 | Low | 75.2 | Confident | 200 Ų | 200 | 53.5 Ų | 53.5 | 94% | 0.935 | 29% | 0.289 | S | S | * | . | trans | -69.5 | 19.3 | -166.1 | -61.7 | -174.8 | 151.5 | 0 | 0 | 118.2 | S179 | E177-S179 PolarHBondContact O-N 3.45Š| ||
| 178 | S | 68.3 | Low | 75.6 | Confident | 48 Ų | 48 | 53.4 Ų | 53.4 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | trans | -82.5 | 79.5 | -178.9 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | K176 T180 H181 | K176-S178 VanDerWaalsContact C-N 3.3Å; K176-S178 PolarHBondContact O-N 2.97Å; S178-T180 VanDerWaalsContact C-N 3.27Å; S178-T180 PolarHBondContact O-N 2.85Å; S178-H181 PolarHBondContact O-N 2.89Å | ||
| 179 | S | 77.4 | Confident | 75.9 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.1 | -33.9 | -175.4 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | E177 L183 | E177-S179 PolarHBondContact O-N 3.45Å; S179-L183 WeakPolarHBondContact O-CB 3.41Å; S179-L183 WeakPolarHBondContact O-CD1 3.36Å; S179-L183 VanDerWaalsContact O-CG 3.24Å; S179-L183 WeakPolarHBondContact O-CG 3.32Å; S179-L183 PolarHBondContact O-N 3.46Å |
| 180 | T | 82.1 | Confident | 76.4 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.9 | -34.7 | -177.8 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | Q131 R138 S178 G184 | Q131-T180 WeakPolarHBondContact O-CB 3.43Å; Q131-T180 PolarHBondContact O-OG1 3.35Å; R138-T180 PolarHBondContact NH1-O 2.87Å; S178-T180 VanDerWaalsContact C-N 3.27Å; S178-T180 PolarHBondContact O-N 2.85Å; T180-G184 PolarHBondContact O-N 2.85Å |
| 181 | H | 83.1 | Confident | 76.8 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -51.9 | -178.6 | -160.8 | -58.5 | 0 | 0 | 0 | 111.2 | Q131 E169 L173 S178 L183 G184 D185 | Q131-H181 HydrophobicContact CG-CB 4.26Å; Q131-H181 WeakPolarHBondContact CG-CD2 3.18Å; Q131-H181 PolarHBondContact NE2-CD2 3.28Å; Q131-H181 PolarHBondContact NE2-NE2 3.48Å; E169-H181 IonicContact OE2-CE1 2.65Å; L173-H181 VanDerWaalsContact CD1-ND1 3.32Å; L173-H181 WeakPolarHBondContact CD1-ND1 3.28Å; S178-H181 PolarHBondContact O-N 2.89Å; H181-L183 VanDerWaalsContact C-N 3.3Å; H181-L183 PolarHBondContact O-N 3.47Å; H181-G184 PolarHBondContact O-N 3.42Å; H181-G184 VanDerWaalsContact O-N 3.08Å; H181-D185 IonicContact CE1-OD2 2.97Å; H181-D185 PolarHBondContact CE1-OD2 3.01Å; H181-D185 IonicContact ND1-OD2 3.71Å; H181-D185 PolarHBondContact ND1-OD2 3.32Å; H181-D185 PolarHBondContact O-N 3.33Å |
| 182 | V | 83.9 | Confident | 77.3 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.8 | -45 | 178.4 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | L170 G184 D185 L186 Y233 I241 | L170-V182 HydrophobicContact CD2-CG1 4.49Å; V182-G184 VanDerWaalsContact C-N 3.35Å; V182-G184 PolarHBondContact O-N 3.47Å; V182-D185 PolarHBondContact O-N 3.36Å; V182-L186 HydrophobicContact CG1-CD1 3.94Å; V182-L186 HydrophobicContact CG1-CG 4.34Å; V182-L186 WeakPolarHBondContact O-CB 2.99Å; V182-L186 VanDerWaalsContact O-CG 3.3Å; V182-L186 WeakPolarHBondContact O-CG 3.44Å; V182-L186 PolarHBondContact O-N 3.29Å; V182-Y233 HydrophobicContact CG1-CD1 3.81Å; V182-Y233 HydrophobicContact CG1-CD2 4.26Å; V182-Y233 HydrophobicContact CG1-CE1 3.72Å; V182-Y233 HydrophobicContact CG1-CE2 4.21Å; V182-Y233 HydrophobicContact CG1-CG 4.1Å; V182-Y233 HydrophobicContact CG2-CE1 4.01Å; V182-I241 HydrophobicContact CG1-CG2 4.13Å |
| 183 | L | 85.1 | Confident | 77.7 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 177.2 | -75.6 | 171.3 | 0 | 0 | 0 | 112.6 | R138 S179 H181 L187 V240 I241 A244 | R138-L183 VanDerWaalsContact NH1-CD1 3.26Å; S179-L183 WeakPolarHBondContact O-CB 3.41Å; S179-L183 WeakPolarHBondContact O-CD1 3.36Å; S179-L183 VanDerWaalsContact O-CG 3.24Å; S179-L183 WeakPolarHBondContact O-CG 3.32Å; S179-L183 PolarHBondContact O-N 3.46Å; H181-L183 VanDerWaalsContact C-N 3.3Å; H181-L183 PolarHBondContact O-N 3.47Å; L183-L187 WeakPolarHBondContact O-CB 3.49Å; L183-L187 PolarHBondContact O-N 3.06Å; L183-V240 HydrophobicContact CD1-CG1 4.05Å; L183-V240 HydrophobicContact CD2-CG1 4.01Å; L183-I241 HydrophobicContact CD2-CG1 4.18Å; L183-I241 HydrophobicContact CG-CG1 4.12Å; L183-A244 HydrophobicContact CD2-CB 3.54Å |
| 184 | G | 84.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L130 T180 H181 V182 L187 L188 | L130-G184 WeakPolarHBondContact O-CA 3.48Å; T180-G184 PolarHBondContact O-N 2.85Å; H181-G184 PolarHBondContact O-N 3.42Å; H181-G184 VanDerWaalsContact O-N 3.08Å; V182-G184 VanDerWaalsContact C-N 3.35Å; V182-G184 PolarHBondContact O-N 3.47Å; G184-L187 PolarHBondContact O-N 3.4Å; G184-L188 PolarHBondContact O-N 3.11Å |
| 185 | D | 86.1 | Confident | 78.8 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69 | -41.9 | 179.9 | -65.7 | -31.6 | 0 | 0 | 0 | 112.3 | I166 L170 H181 V182 L187 L188 L189 | I166-D185 HydrophobicContact CG2-CB 4.19Å; L170-D185 HydrophobicContact CD1-CB 4.49Å; L170-D185 HydrophobicContact CD2-CB 3.79Å; L170-D185 HydrophobicContact CG-CB 4.09Å; H181-D185 IonicContact CE1-OD2 2.97Å; H181-D185 PolarHBondContact CE1-OD2 3.01Å; H181-D185 IonicContact ND1-OD2 3.71Å; H181-D185 PolarHBondContact ND1-OD2 3.32Å; H181-D185 PolarHBondContact O-N 3.33Å; V182-D185 PolarHBondContact O-N 3.36Å; D185-L187 VanDerWaalsContact C-N 3.32Å; D185-L187 PolarHBondContact O-N 3.37Å; D185-L188 PolarHBondContact O-N 2.92Å; D185-L189 WeakPolarHBondContact O-CG 3.41Å; D185-L189 PolarHBondContact O-N 3.27Å |
| 186 | L | 87 | Confident | 79.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 173.4 | -72.9 | 175.6 | 0 | 0 | 0 | 111.3 | V182 L188 L189 Q190 I230 A244 A245 T248 | V182-L186 HydrophobicContact CG1-CD1 3.94Å; V182-L186 HydrophobicContact CG1-CG 4.34Å; V182-L186 WeakPolarHBondContact O-CB 2.99Å; V182-L186 VanDerWaalsContact O-CG 3.3Å; V182-L186 WeakPolarHBondContact O-CG 3.44Å; V182-L186 PolarHBondContact O-N 3.29Å; L186-L188 VanDerWaalsContact C-N 3.34Å; L186-L188 PolarHBondContact O-N 3.34Å; L186-L189 HydrophobicContact CD2-CD1 4.47Å; L186-L189 WeakPolarHBondContact O-CB 3.45Å; L186-L189 PolarHBondContact O-N 2.87Å; L186-Q190 WeakPolarHBondContact O-CG 3.45Å; L186-Q190 PolarHBondContact O-N 2.98Å; L186-Q190 VanDerWaalsContact O-N 3.09Å; L186-I230 HydrophobicContact CD2-CG1 4.37Å; L186-A244 HydrophobicContact CD1-CB 4.22Å; L186-A245 HydrophobicContact CD1-CB 4.15Å; L186-T248 HydrophobicContact CD2-CG2 4.36Å; L186-T248 PolarHBondContact O-OG1 3.06Å |
| 187 | L | 87.1 | Confident | 79.7 | Confident | 33 Ų | 33 | 27.9 Ų | 27.9 | 17% | 0.173 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 177.9 | -154 | 95.4 | 0 | 0 | 0 | 111.8 | R139 A142 L183 G184 D185 Q190 H191 | R139-L187 HydrophobicContact CB-CD2 3.79Å; R139-L187 HydrophobicContact CG-CD2 4.07Å; A142-L187 HydrophobicContact CB-CD2 3.93Å; L183-L187 WeakPolarHBondContact O-CB 3.49Å; L183-L187 PolarHBondContact O-N 3.06Å; G184-L187 PolarHBondContact O-N 3.4Å; D185-L187 VanDerWaalsContact C-N 3.32Å; D185-L187 PolarHBondContact O-N 3.37Å; L187-Q190 WeakPolarHBondContact O-CB 3.38Å; L187-Q190 PolarHBondContact O-N 3.09Å; L187-H191 PolarHBondContact O-CD2 3.42Å; L187-H191 PolarHBondContact O-N 3.14Å |
| 188 | L | 87.8 | Confident | 80 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 174 | 179.2 | 57.8 | 0 | 0 | 0 | 111.7 | L130 A142 I145 I166 G184 D185 L186 Q190 H191 L192 | L130-L188 HydrophobicContact CD1-CD2 3.85Å; A142-L188 HydrophobicContact CB-CB 4.24Å; A142-L188 HydrophobicContact CB-CD1 4.39Å; A142-L188 WeakPolarHBondContact O-CD1 3.26Å; I145-L188 HydrophobicContact CB-CD1 3.85Å; I145-L188 HydrophobicContact CD1-CD2 4.18Å; I145-L188 HydrophobicContact CG2-CD1 3.79Å; I145-L188 HydrophobicContact CG2-CD2 4.12Å; I166-L188 HydrophobicContact CD1-CD2 3.38Å; I166-L188 HydrophobicContact CD1-CG 3.8Å; I166-L188 HydrophobicContact CG1-CD2 4.15Å; G184-L188 PolarHBondContact O-N 3.11Å; D185-L188 PolarHBondContact O-N 2.92Å; L186-L188 VanDerWaalsContact C-N 3.34Å; L186-L188 PolarHBondContact O-N 3.34Å; L188-Q190 VanDerWaalsContact C-N 3.29Å; L188-Q190 PolarHBondContact O-N 3.08Å; L188-H191 PolarHBondContact O-N 2.67Å; L188-H191 VanDerWaalsContact O-N 3.11Å; L188-L192 HydrophobicContact CD1-CD1 4.15Å; L188-L192 HydrophobicContact CD1-CG 4.04Å; L188-L192 HydrophobicContact CD2-CD1 4.48Å; L188-L192 HydrophobicContact CG-CD1 3.87Å; L188-L192 HydrophobicContact CG-CG 4.24Å; L188-L192 WeakPolarHBondContact O-CG 3.5Å; L188-L192 PolarHBondContact O-N 3.45Å |
| 189 | L | 85.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58 | -41.8 | 173.3 | -71.8 | 172.4 | 0 | 0 | 0 | 111.8 | L163 I166 L170 D185 L186 H191 L192 F193 L226 T248 | L163-L189 HydrophobicContact CD1-CD2 3.9Å; I166-L189 HydrophobicContact CG2-CD1 4.33Å; I166-L189 HydrophobicContact CG2-CD2 4.06Å; I166-L189 HydrophobicContact CG2-CG 4.04Å; L170-L189 HydrophobicContact CD1-CD1 3.49Å; L170-L189 VanDerWaalsContact CD1-CD1 3.49Å; D185-L189 WeakPolarHBondContact O-CG 3.41Å; D185-L189 PolarHBondContact O-N 3.27Å; L186-L189 HydrophobicContact CD2-CD1 4.47Å; L186-L189 WeakPolarHBondContact O-CB 3.45Å; L186-L189 PolarHBondContact O-N 2.87Å; L189-H191 PolarHBondContact O-N 2.81Å; L189-H191 VanDerWaalsContact O-N 3.15Å; L189-L192 PolarHBondContact O-N 2.73Å; L189-F193 HydrophobicContact CD2-CE2 4.27Å; L189-F193 WeakPolarHBondContact O-CD2 3.41Å; L189-F193 PolarHBondContact O-N 2.58Å; L189-F193 VanDerWaalsContact O-N 3.1Å; L189-L226 HydrophobicContact CD1-CD1 3.79Å; L189-T248 HydrophobicContact CB-CG2 4.08Å |
| 190 | Q | 88.4 | Confident | 77.9 | Confident | 17 Ų | 17 | 23 Ų | 23 | 8% | 0.079 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.3 | -27.5 | 177.3 | -67.3 | 172.3 | 13.5 | 0 | 0 | 113.7 | L186 L187 L188 P194 A244 T248 R251 | L186-Q190 WeakPolarHBondContact O-CG 3.45Å; L186-Q190 PolarHBondContact O-N 2.98Å; L186-Q190 VanDerWaalsContact O-N 3.09Å; L187-Q190 WeakPolarHBondContact O-CB 3.38Å; L187-Q190 PolarHBondContact O-N 3.09Å; L188-Q190 VanDerWaalsContact C-N 3.29Å; L188-Q190 PolarHBondContact O-N 3.08Å; Q190-P194 VanDerWaalsContact O-CD 3.27Å; Q190-P194 WeakPolarHBondContact O-CD 3.49Å; Q190-A244 PolarHBondContact NE2-O 2.97Å; Q190-T248 HydrophobicContact CG-CG2 4.29Å; Q190-T248 WeakPolarHBondContact CG-OG1 3.39Å; Q190-T248 PolarHBondContact NE2-OG1 3.41Å; Q190-R251 HydrophobicContact CB-CG 4.36Å; Q190-R251 WeakPolarHBondContact O-CG 3.41Å; Q190-R251 PolarHBondContact O-NE 2.98Å |
| 191 | H | 85.7 | Confident | 76 | Confident | 52 Ų | 52 | 22.7 Ų | 22.7 | 24% | 0.241 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -93.9 | -26.9 | 177.3 | -67.8 | -68.1 | 0 | 0 | 0 | 113.6 | A146 L187 L188 L189 I195 | A146-H191 HydrophobicContact CB-CB 3.63Å; L187-H191 PolarHBondContact O-CD2 3.42Å; L187-H191 PolarHBondContact O-N 3.14Å; L188-H191 PolarHBondContact O-N 2.67Å; L188-H191 VanDerWaalsContact O-N 3.11Å; L189-H191 PolarHBondContact O-N 2.81Å; L189-H191 VanDerWaalsContact O-N 3.15Å; H191-I195 WeakPolarHBondContact O-CD1 3.31Å |
| 192 | L | 83.2 | Confident | 73.9 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75.5 | -36.5 | 177.4 | -70.3 | 174.8 | 0 | 0 | 0 | 112.9 | A146 I166 L188 L189 I195 F196 | A146-L192 HydrophobicContact CB-CD2 4.47Å; I166-L192 HydrophobicContact CD1-CD1 3.54Å; L188-L192 HydrophobicContact CD1-CD1 4.15Å; L188-L192 HydrophobicContact CD1-CG 4.04Å; L188-L192 HydrophobicContact CD2-CD1 4.48Å; L188-L192 HydrophobicContact CG-CD1 3.87Å; L188-L192 HydrophobicContact CG-CG 4.24Å; L188-L192 WeakPolarHBondContact O-CG 3.5Å; L188-L192 PolarHBondContact O-N 3.45Å; L189-L192 PolarHBondContact O-N 2.73Å; L192-I195 WeakPolarHBondContact O-CB 2.94Å; L192-I195 PolarHBondContact O-N 3.11Å; L192-I195 VanDerWaalsContact O-N 3.13Å; L192-F196 HydrophobicContact CB-CD2 4.43Å; L192-F196 HydrophobicContact CB-CE2 3.78Å; L192-F196 WeakPolarHBondContact O-CD2 3.39Å; L192-F196 PolarHBondContact O-N 2.92Å; L192-F196 VanDerWaalsContact O-N 3.12Å |
| 193 | F | 79.5 | Confident | 71.7 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | -179.8 | -92.5 | -89.2 | 0 | 0 | 0 | 115.6 | L189 I195 F196 A197 W223 L226 I252 | L189-F193 HydrophobicContact CD2-CE2 4.27Å; L189-F193 WeakPolarHBondContact O-CD2 3.41Å; L189-F193 PolarHBondContact O-N 2.58Å; L189-F193 VanDerWaalsContact O-N 3.1Å; F193-I195 VanDerWaalsContact C-N 3.26Å; F193-I195 PolarHBondContact O-N 3.37Å; F193-F196 WeakPolarHBondContact O-CB 3.22Å; F193-F196 PolarHBondContact O-N 3.49Å; F193-F196 VanDerWaalsContact O-N 3.14Å; F193-A197 PolarHBondContact O-N 2.97Å; F193-A197 VanDerWaalsContact O-N 3.14Å; F193-W223 HydrophobicContact CE1-CH2 4.42Å; F193-W223 HydrophobicContact CE1-CZ3 4.06Å; F193-W223 HydrophobicContact CZ-CH2 4.31Å; F193-W223 AromaticContact CZ-CZ3 3.66Å; F193-W223 HydrophobicContact CZ-CZ3 3.66Å; F193-L226 HydrophobicContact CE2-CD2 4.32Å; F193-L226 HydrophobicContact CZ-CD2 4.24Å; F193-I252 HydrophobicContact CD1-CB 4.48Å; F193-I252 HydrophobicContact CD1-CG1 3.99Å; F193-I252 HydrophobicContact CD2-CD1 4.27Å; F193-I252 HydrophobicContact CD2-CG1 3.68Å; F193-I252 HydrophobicContact CE1-CB 4.33Å; F193-I252 HydrophobicContact CE1-CD1 4.48Å; F193-I252 HydrophobicContact CE1-CG1 3.83Å; F193-I252 HydrophobicContact CE1-CG2 4.02Å; F193-I252 HydrophobicContact CE2-CD1 3.68Å; F193-I252 HydrophobicContact CE2-CG1 3.51Å; F193-I252 HydrophobicContact CG-CG1 3.9Å; F193-I252 HydrophobicContact CZ-CB 4.45Å; F193-I252 HydrophobicContact CZ-CD1 3.77Å; F193-I252 HydrophobicContact CZ-CG1 3.56Å; F193-I252 HydrophobicContact CZ-CG2 4.23Å |
| 194 | P | 78 | Confident | 69.5 | Low | 30 Ų | 30 | 30.9 Ų | 30.9 | 20% | 0.195 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.5 | -39.6 | 172.7 | -26.3 | 34.4 | 0 | 0 | 0 | 113.2 | Q190 F196 A197 D198 | Q190-P194 VanDerWaalsContact O-CD 3.27Å; Q190-P194 WeakPolarHBondContact O-CD 3.49Å; P194-F196 VanDerWaalsContact C-N 3.3Å; P194-F196 PolarHBondContact O-N 3.5Å; P194-A197 PolarHBondContact O-N 3.07Å; P194-D198 PolarHBondContact O-N 3.44Å; P194-D198 VanDerWaalsContact O-N 3.09Å |
| 195 | I | 74 | Confident | 67.3 | Low | 16 Ų | 16 | 36.8 Ų | 36.8 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -35.9 | 179.3 | -59.5 | 166.4 | 0 | 0 | 0 | 110.7 | A146 A150 T159 H191 L192 F193 T199 | A146-I195 HydrophobicContact CB-CD1 3.79Å; A146-I195 VanDerWaalsContact O-CD1 3.3Å; A146-I195 WeakPolarHBondContact O-CD1 3.39Å; A150-I195 HydrophobicContact CB-CD1 3.93Å; A150-I195 HydrophobicContact CB-CG1 4.29Å; A150-I195 HydrophobicContact CB-CG2 4.21Å; T159-I195 HydrophobicContact CG2-CG2 4.11Å; H191-I195 WeakPolarHBondContact O-CD1 3.31Å; L192-I195 WeakPolarHBondContact O-CB 2.94Å; L192-I195 PolarHBondContact O-N 3.11Å; L192-I195 VanDerWaalsContact O-N 3.13Å; F193-I195 VanDerWaalsContact C-N 3.26Å; F193-I195 PolarHBondContact O-N 3.37Å; I195-T199 WeakPolarHBondContact O-CG2 3.25Å; I195-T199 PolarHBondContact O-N 3.47Å; I195-T199 PolarHBondContact O-OG1 3.41Å |
| 196 | F | 68.6 | Low | 64.8 | Low | 7 Ų | 7 | 41.4 Ų | 41.4 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 174.8 | -69.2 | -58.2 | 0 | 0 | 0 | 112.3 | L163 L192 F193 P194 D198 T199 F215 | L163-F196 HydrophobicContact CB-CE2 4.44Å; L163-F196 HydrophobicContact CB-CZ 3.93Å; L163-F196 HydrophobicContact CD1-CE2 3.55Å; L163-F196 HydrophobicContact CD1-CZ 3.91Å; L163-F196 HydrophobicContact CD2-CZ 4.48Å; L163-F196 HydrophobicContact CG-CE2 4.42Å; L163-F196 HydrophobicContact CG-CZ 4.31Å; L192-F196 HydrophobicContact CB-CD2 4.43Å; L192-F196 HydrophobicContact CB-CE2 3.78Å; L192-F196 WeakPolarHBondContact O-CD2 3.39Å; L192-F196 PolarHBondContact O-N 2.92Å; L192-F196 VanDerWaalsContact O-N 3.12Å; F193-F196 WeakPolarHBondContact O-CB 3.22Å; F193-F196 PolarHBondContact O-N 3.49Å; F193-F196 VanDerWaalsContact O-N 3.14Å; P194-F196 VanDerWaalsContact C-N 3.3Å; P194-F196 PolarHBondContact O-N 3.5Å; F196-D198 VanDerWaalsContact C-N 3.34Å; F196-D198 PolarHBondContact O-N 2.61Å; F196-T199 PolarHBondContact O-N 2.89Å; F196-T199 PolarHBondContact O-OG1 3.14Å; F196-F215 AromaticContact CD1-CE1 3.72Å; F196-F215 HydrophobicContact CD1-CE1 3.72Å; F196-F215 HydrophobicContact CD1-CZ 4.21Å; F196-F215 HydrophobicContact CE1-CE1 4.05Å |
| 197 | A | 63.1 | Low | 62.6 | Low | 34 Ų | 34 | 42.5 Ų | 42.5 | 28% | 0.281 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F193 P194 T199 D200 N255 | F193-A197 PolarHBondContact O-N 2.97Å; F193-A197 VanDerWaalsContact O-N 3.14Å; P194-A197 PolarHBondContact O-N 3.07Å; A197-T199 VanDerWaalsContact C-N 3.34Å; A197-T199 PolarHBondContact O-N 3.09Å; A197-D200 PolarHBondContact O-N 3.49Å; A197-N255 HydrophobicContact CB-CB 3.92Å |
| 198 | D | 60.8 | Low | 60 | Low | 88 Ų | 88 | 47.6 Ų | 47.6 | 47% | 0.471 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.6 | -31.5 | 177 | -78.2 | -18.3 | 0 | 0 | 0 | 113 | P194 F196 D200 G201 E202 | P194-D198 PolarHBondContact O-N 3.44Å; P194-D198 VanDerWaalsContact O-N 3.09Å; F196-D198 VanDerWaalsContact C-N 3.34Å; F196-D198 PolarHBondContact O-N 2.61Å; D198-D200 PolarHBondContact O-N 2.95Å; D198-G201 PolarHBondContact O-N 3.48Å; D198-E202 PolarHBondContact O-N 3.45Å |
| 199 | T | 53.7 | Low | 57.4 | Low | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.6 | -22.3 | 177.4 | 47.4 | 0 | 0 | 0 | 0 | 113.8 | R155 I195 F196 A197 G201 N203 F215 | R155-T199 HydrophobicContact CG-CG2 4.03Å; I195-T199 WeakPolarHBondContact O-CG2 3.25Å; I195-T199 PolarHBondContact O-N 3.47Å; I195-T199 PolarHBondContact O-OG1 3.41Å; F196-T199 PolarHBondContact O-N 2.89Å; F196-T199 PolarHBondContact O-OG1 3.14Å; A197-T199 VanDerWaalsContact C-N 3.34Å; A197-T199 PolarHBondContact O-N 3.09Å; T199-G201 VanDerWaalsContact C-N 3.34Å; T199-N203 WeakPolarHBondContact O-CB 3.48Å; T199-N203 PolarHBondContact O-ND2 3.39Å; T199-F215 WeakPolarHBondContact OG1-CZ 3.19Å |
| 200 | D | 48.2 | Very low | 54.8 | Low | 100 Ų | 100 | 59 Ų | 59 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -78 | -20.9 | 171.1 | -74.3 | -17.9 | 0 | 0 | 0 | 112 | A197 D198 | A197-D200 PolarHBondContact O-N 3.49Å; D198-D200 PolarHBondContact O-N 2.95Å |
| 201 | G | 42.3 | Very low | 52.3 | Low | 37 Ų | 37 | 59.6 Ų | 59.6 | 38% | 0.381 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -97.4 | -42.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D198 T199 A204 | D198-G201 PolarHBondContact O-N 3.48Å; T199-G201 VanDerWaalsContact C-N 3.34Å; G201-A204 VanDerWaalsContact O-CB 3.31Å; G201-A204 WeakPolarHBondContact O-CB 3.38Å; G201-A204 PolarHBondContact O-N 3.21Å |
| 202 | E | 38.7 | Very low | 50 | Low | 102 Ų | 102 | 61.9 Ų | 61.9 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -82 | -23.4 | -175 | -73.1 | -173.4 | 144.8 | 0 | 0 | 113.7 | R155 D198 A204 I205 | R155-E202 IonicContact CZ-OE2 2.66Å; R155-E202 IonicContact NH1-OE2 3.82Å; R155-E202 PolarHBondContact NH1-OE2 3.39Å; R155-E202 IonicContact NH2-OE2 2.75Å; D198-E202 PolarHBondContact O-N 3.45Å; E202-A204 PolarHBondContact O-N 3.37Å; E202-I205 PolarHBondContact O-N 3.28Å |
| 203 | N | 37.8 | Very low | 48 | Very low | 89 Ų | 89 | 64.6 Ų | 64.6 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -4.2 | 170.7 | -72.8 | -31.3 | 0 | 0 | 0 | 112.6 | T199 I205 Y1279 R1281 | T199-N203 WeakPolarHBondContact O-CB 3.48Å; T199-N203 PolarHBondContact O-ND2 3.39Å; N203-I205 VanDerWaalsContact C-N 3.3Å; N203-Y1279 PolarHBondContact O-OH 2.85Å; N203-R1281 PolarHBondContact O-NH2 3.46Å |
| 204 | A | 39.5 | Very low | 46.4 | Very low | 29 Ų | 29 | 69.7 Ų | 69.7 | 24% | 0.24 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114 | G201 E202 R1281 | G201-A204 VanDerWaalsContact O-CB 3.31Å; G201-A204 WeakPolarHBondContact O-CB 3.38Å; G201-A204 PolarHBondContact O-N 3.21Å; E202-A204 PolarHBondContact O-N 3.37Å; A204-R1281 VanDerWaalsContact C-CZ 3.43Å; A204-R1281 HydrophobicContact CB-CG 4.32Å; A204-R1281 WeakPolarHBondContact O-CD 2.75Å; A204-R1281 WeakPolarHBondContact O-CG 3.29Å; A204-R1281 PolarHBondContact O-NE 2.9Å; A204-R1281 PolarHBondContact O-NH1 2.96Å |
| 205 | I | 38.4 | Very low | 45 | Very low | 124 Ų | 124 | 70.7 Ų | 70.7 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | -32.1 | -175.6 | -58.2 | 176.5 | 0 | 0 | 0 | 112.9 | E202 N203 R1281 | E202-I205 PolarHBondContact O-N 3.28Å; N203-I205 VanDerWaalsContact C-N 3.3Å; I205-R1281 PolarHBondContact O-NH1 3.22Å |
| 206 | D | 32.7 | Very low | 43.9 | Very low | 102 Ų | 102 | 74.1 Ų | 74.1 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -102.2 | 116.2 | -176.9 | -71.4 | -23.9 | 0 | 0 | 0 | 112.5 | R208 R1281 | D206-R208 PolarHBondContact O-N 3.19Å; D206-R1281 VanDerWaalsContact C-NH2 3.28Å; D206-R1281 PolarHBondContact O-NH2 2.74Å; D206-R1281 VanDerWaalsContact O-NH2 3.1Å |
| 207 | G | 41 | Very low | 43.3 | Very low | 23 Ų | 23 | 80.6 Ų | 80.6 | 24% | 0.237 | 46% | 0.459 | C | S | . | . | trans | -75.5 | 43.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 208 | R | 32 | Very low | 43.4 | Very low | 140 Ų | 140 | 79.4 Ų | 79.4 | 53% | 0.528 | 45% | 0.447 | S | S | . | . | trans | -133.5 | 121.5 | 177.8 | -81.8 | -176.1 | 164.8 | -164.2 | -9.4 | 113 | D206 E1191 | D206-R208 PolarHBondContact O-N 3.19Å; R208-E1191 PolarHBondContact NE-O 3.02Å; R208-E1191 PolarHBondContact NH2-O 3.49Å | ||
| 209 | T | 34.2 | Very low | 44 | Very low | 110 Ų | 110 | 77.9 Ų | 77.9 | 68% | 0.675 | 44% | 0.444 | S | S | * | . | trans | 98.3 | 136.5 | 154.2 | 74.3 | 0 | 0 | 0 | 0 | 119 | A211 | T209-A211 PolarHBondContact O-N 3.46Š| ||
| 210 | V | 31.8 | Very low | 44.9 | Very low | 134 Ų | 134 | 80.5 Ų | 80.5 | 81% | 0.812 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -60.8 | 58.7 | 168.9 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 211 | A | 36.3 | Very low | 46.2 | Very low | 29 Ų | 29 | 80.8 Ų | 80.8 | 24% | 0.24 | 46% | 0.459 | C | S | . | . | trans | -126.5 | 9.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | T209 A213 R214 | T209-A211 PolarHBondContact O-N 3.46Å; A211-A213 PolarHBondContact O-N 3.03Å; A211-R214 PolarHBondContact O-N 3.48Å | ||
| 212 | A | 36.4 | Very low | 47.9 | Very low | 99 Ų | 99 | 80.3 Ų | 80.3 | 82% | 0.818 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -11.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 213 | A | 42 | Very low | 49.9 | Very low | 59 Ų | 59 | 76.2 Ų | 76.2 | 49% | 0.488 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 13.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A211 | A211-A213 PolarHBondContact O-N 3.03Š|
| 214 | R | 45.4 | Very low | 51.9 | Low | 108 Ų | 108 | 72.6 Ų | 72.6 | 41% | 0.408 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -104.2 | -24.7 | -177.6 | -71 | -165.2 | -173.9 | 177.3 | 3.1 | 116.4 | D157 A211 D216 Q217 | D157-R214 WeakPolarHBondContact OD1-CD 3.48Å; D157-R214 IonicContact OD1-NH1 3.98Å; D157-R214 PolarHBondContact OD1-NH1 3.44Å; D157-R214 IonicContact OD2-NH1 3.84Å; D157-R214 PolarHBondContact OD2-NH1 2.77Å; A211-R214 PolarHBondContact O-N 3.48Å; R214-D216 PolarHBondContact O-N 2.72Å; R214-Q217 WeakPolarHBondContact O-CB 3.48Å; R214-Q217 WeakPolarHBondContact O-CG 3.28Å; R214-Q217 PolarHBondContact O-N 3.09Å; R214-Q217 VanDerWaalsContact O-N 3.13Å |
| 215 | F | 49.1 | Very low | 53.8 | Low | 50 Ų | 50 | 75.7 Ų | 75.7 | 22% | 0.219 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -63.2 | -20.1 | 162.3 | -73.9 | -68.5 | 0 | 0 | 0 | 111.6 | F196 T199 Q217 I218 | F196-F215 AromaticContact CD1-CE1 3.72Å; F196-F215 HydrophobicContact CD1-CE1 3.72Å; F196-F215 HydrophobicContact CD1-CZ 4.21Å; F196-F215 HydrophobicContact CE1-CE1 4.05Å; T199-F215 WeakPolarHBondContact OG1-CZ 3.19Å; F215-Q217 PolarHBondContact O-N 3.15Å; F215-Q217 VanDerWaalsContact O-N 3.16Å; F215-I218 PolarHBondContact O-N 3.17Å |
| 216 | D | 49.5 | Very low | 55.9 | Low | 88 Ų | 88 | 69.8 Ų | 69.8 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -65.7 | -12.9 | 173.7 | -67.3 | -28.6 | 0 | 0 | 0 | 114.8 | R214 R259 | R214-D216 PolarHBondContact O-N 2.72Å; D216-R259 IonicContact OD1-CZ 2.85Å; D216-R259 IonicContact OD1-NH1 3.88Å; D216-R259 PolarHBondContact OD1-NH1 2.93Å |
| 217 | Q | 55.9 | Low | 58.4 | Low | 144 Ų | 144 | 65 Ų | 65 | 67% | 0.673 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -77.6 | -19.4 | 178.3 | -62.4 | -177.1 | 2.9 | 0 | 0 | 113.3 | R214 F215 S219 | R214-Q217 WeakPolarHBondContact O-CB 3.48Å; R214-Q217 WeakPolarHBondContact O-CG 3.28Å; R214-Q217 PolarHBondContact O-N 3.09Å; R214-Q217 VanDerWaalsContact O-N 3.13Å; F215-Q217 PolarHBondContact O-N 3.15Å; F215-Q217 VanDerWaalsContact O-N 3.16Å; Q217-S219 PolarHBondContact O-N 3.2Å |
| 218 | I | 65.6 | Low | 60.3 | Low | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -79.1 | 112.9 | 173 | -56.2 | 172.3 | 0 | 0 | 0 | 107.6 | L163 V164 F215 W223 | L163-I218 HydrophobicContact CD2-CD1 3.87Å; V164-I218 HydrophobicContact CG2-CG1 4.3Å; F215-I218 PolarHBondContact O-N 3.17Å; I218-W223 HydrophobicContact CD1-CZ2 4.18Å |
| 219 | S | 73.3 | Confident | 62.7 | Low | 57 Ų | 57 | 57.5 Ų | 57.5 | 40% | 0.399 | 33% | 0.328 | S | S | . | . | trans | -58.5 | 140.4 | 178.1 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | Q217 D221 S222 | Q217-S219 PolarHBondContact O-N 3.2Å; S219-D221 PolarHBondContact O-N 3.25Å; S219-D221 VanDerWaalsContact O-N 3.14Å; S219-S222 WeakPolarHBondContact O-CB 3.48Å; S219-S222 PolarHBondContact O-N 3.44Å; S219-S222 WeakPolarHBondContact OG-CB 3.38Å; S219-S222 PolarHBondContact OG-N 3.29Å; S219-S222 PolarHBondContact OG-OG 3.37Å | ||
| 220 | D | 72.7 | Confident | 65.1 | Low | 58 Ų | 58 | 52.4 Ų | 52.4 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.6 | -34.7 | 175 | -66 | -19.4 | 0 | 0 | 0 | 112.1 | S222 W223 L224 R259 L263 | D220-S222 VanDerWaalsContact C-N 3.29Å; D220-S222 PolarHBondContact O-N 3.26Å; D220-W223 WeakPolarHBondContact O-CB 3.44Å; D220-W223 PolarHBondContact O-N 3.1Å; D220-L224 WeakPolarHBondContact O-CG 3.4Å; D220-L224 PolarHBondContact O-N 3.12Å; D220-R259 IonicContact OD1-CZ 3.63Å; D220-R259 IonicContact OD1-NE 3.47Å; D220-R259 PolarHBondContact OD1-NE 3.23Å; D220-R259 IonicContact OD1-NH2 2.73Å; D220-R259 PolarHBondContact OD1-NH2 3.17Å; D220-R259 IonicContact OD2-NH2 3.53Å; D220-L263 HydrophobicContact CB-CD1 4.17Å; D220-L263 HydrophobicContact CB-CD2 4.12Å |
| 221 | D | 75.3 | Confident | 67.6 | Low | 106 Ų | 106 | 46 Ų | 46 | 57% | 0.567 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58.5 | -34.2 | 174.8 | -88.7 | 5.1 | 0 | 0 | 0 | 114.1 | S219 K225 | S219-D221 PolarHBondContact O-N 3.25Å; S219-D221 VanDerWaalsContact O-N 3.14Å; D221-K225 WeakPolarHBondContact O-CB 3.44Å; D221-K225 VanDerWaalsContact O-CG 3.29Å; D221-K225 WeakPolarHBondContact O-CG 3.3Å; D221-K225 PolarHBondContact O-N 3.29Å |
| 222 | S | 79 | Confident | 69.9 | Low | 28 Ų | 28 | 48.5 Ų | 48.5 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.1 | -34.9 | 179.8 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | S219 D220 L226 | S219-S222 WeakPolarHBondContact O-CB 3.48Å; S219-S222 PolarHBondContact O-N 3.44Å; S219-S222 WeakPolarHBondContact OG-CB 3.38Å; S219-S222 PolarHBondContact OG-N 3.29Å; S219-S222 PolarHBondContact OG-OG 3.37Å; D220-S222 VanDerWaalsContact C-N 3.29Å; D220-S222 PolarHBondContact O-N 3.26Å; S222-L226 PolarHBondContact O-N 3.5Å |
| 223 | W | 79.7 | Confident | 72.2 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.5 | -45.8 | 173.2 | -75.5 | 114.3 | 0 | 0 | 0 | 111.7 | L163 F193 I218 D220 K225 L226 F227 V260 L263 | L163-W223 HydrophobicContact CD1-CH2 4.41Å; L163-W223 HydrophobicContact CD2-CH2 3.49Å; L163-W223 VanDerWaalsContact CD2-CH2 3.49Å; L163-W223 HydrophobicContact CD2-CZ2 3.8Å; L163-W223 HydrophobicContact CD2-CZ3 3.97Å; F193-W223 HydrophobicContact CE1-CH2 4.42Å; F193-W223 HydrophobicContact CE1-CZ3 4.06Å; F193-W223 HydrophobicContact CZ-CH2 4.31Å; F193-W223 AromaticContact CZ-CZ3 3.66Å; F193-W223 HydrophobicContact CZ-CZ3 3.66Å; I218-W223 HydrophobicContact CD1-CZ2 4.18Å; D220-W223 WeakPolarHBondContact O-CB 3.44Å; D220-W223 PolarHBondContact O-N 3.1Å; W223-K225 VanDerWaalsContact C-N 3.34Å; W223-K225 PolarHBondContact O-N 2.98Å; W223-L226 HydrophobicContact CE3-CD2 4.11Å; W223-L226 HydrophobicContact CZ3-CD2 4.03Å; W223-L226 WeakPolarHBondContact O-CB 3.49Å; W223-L226 PolarHBondContact O-N 3.47Å; W223-L226 VanDerWaalsContact O-N 3.14Å; W223-F227 HydrophobicContact CB-CE2 3.87Å; W223-F227 HydrophobicContact CB-CZ 4.11Å; W223-F227 HydrophobicContact CD2-CZ 4.39Å; W223-F227 HydrophobicContact CE3-CE1 4.17Å; W223-F227 AromaticContact CE3-CZ 3.73Å; W223-F227 HydrophobicContact CE3-CZ 3.73Å; W223-F227 WeakPolarHBondContact O-CD2 3.38Å; W223-F227 WeakPolarHBondContact O-CE2 3.37Å; W223-F227 VanDerWaalsContact O-CG 3.28Å; W223-F227 WeakPolarHBondContact O-CG 3.47Å; W223-F227 PolarHBondContact O-N 2.92Å; W223-V260 HydrophobicContact CD2-CG1 4.46Å; W223-V260 HydrophobicContact CD2-CG2 4.16Å; W223-V260 HydrophobicContact CE3-CG1 4.41Å; W223-V260 HydrophobicContact CZ2-CG2 4.23Å; W223-L263 HydrophobicContact CB-CD1 4.06Å |
| 224 | L | 79.4 | Confident | 74.2 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | 178.3 | -70.9 | 168.5 | 0 | 0 | 0 | 111.5 | D220 L226 F227 E228 L263 L270 | D220-L224 WeakPolarHBondContact O-CG 3.4Å; D220-L224 PolarHBondContact O-N 3.12Å; L224-L226 VanDerWaalsContact C-N 3.32Å; L224-L226 PolarHBondContact O-N 3.45Å; L224-F227 PolarHBondContact O-N 3.15Å; L224-F227 VanDerWaalsContact O-N 3.16Å; L224-E228 WeakPolarHBondContact O-CG 3.5Å; L224-E228 PolarHBondContact O-N 3.43Å; L224-L263 HydrophobicContact CD2-CB 4.45Å; L224-L270 HydrophobicContact CB-CD2 3.89Å; L224-L270 HydrophobicContact CD1-CD2 4.17Å; L224-L270 HydrophobicContact CD2-CD2 3.89Å; L224-L270 HydrophobicContact CD2-CG 4.28Å; L224-L270 HydrophobicContact CG-CD2 4.19Å |
| 225 | K | 80 | Confident | 75.9 | Confident | 94 Ų | 94 | 38.7 Ų | 38.7 | 41% | 0.409 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.6 | -37.2 | 174.5 | -75.5 | 173.9 | -176.6 | 177.7 | 0 | 113.5 | V171 D221 W223 A229 | V171-K225 HydrophobicContact CG2-CB 4.13Å; D221-K225 WeakPolarHBondContact O-CB 3.44Å; D221-K225 VanDerWaalsContact O-CG 3.29Å; D221-K225 WeakPolarHBondContact O-CG 3.3Å; D221-K225 PolarHBondContact O-N 3.29Å; W223-K225 VanDerWaalsContact C-N 3.34Å; W223-K225 PolarHBondContact O-N 2.98Å; K225-A229 WeakPolarHBondContact O-CB 3.31Å; K225-A229 PolarHBondContact O-N 3.35Å |
| 226 | L | 83.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -45 | 174.7 | 177.1 | 62 | 0 | 0 | 0 | 111.1 | I167 L170 L189 F193 S222 W223 L224 A229 I230 | I167-L226 HydrophobicContact CD1-CB 4.3Å; I167-L226 HydrophobicContact CD1-CD2 4.24Å; I167-L226 HydrophobicContact CG1-CB 4.06Å; I167-L226 HydrophobicContact CG1-CD1 4.14Å; I167-L226 HydrophobicContact CG1-CD2 4.12Å; I167-L226 HydrophobicContact CG1-CG 4.32Å; I167-L226 HydrophobicContact CG2-CB 4.43Å; L170-L226 HydrophobicContact CD1-CD1 4Å; L189-L226 HydrophobicContact CD1-CD1 3.79Å; F193-L226 HydrophobicContact CE2-CD2 4.32Å; F193-L226 HydrophobicContact CZ-CD2 4.24Å; S222-L226 PolarHBondContact O-N 3.5Å; W223-L226 HydrophobicContact CE3-CD2 4.11Å; W223-L226 HydrophobicContact CZ3-CD2 4.03Å; W223-L226 WeakPolarHBondContact O-CB 3.49Å; W223-L226 PolarHBondContact O-N 3.47Å; W223-L226 VanDerWaalsContact O-N 3.14Å; L224-L226 VanDerWaalsContact C-N 3.32Å; L224-L226 PolarHBondContact O-N 3.45Å; L226-A229 PolarHBondContact O-N 3.01Å; L226-I230 HydrophobicContact CD1-CD1 4.02Å; L226-I230 HydrophobicContact CD1-CG1 4.31Å; L226-I230 HydrophobicContact CG-CD1 4.03Å; L226-I230 WeakPolarHBondContact O-CG1 3.48Å; L226-I230 PolarHBondContact O-N 3.44Å |
| 227 | F | 84.2 | Confident | 78.6 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.1 | -42.2 | -180 | -54.9 | -34.8 | 0 | 0 | 0 | 111.9 | W223 L224 A229 I230 L231 V260 W264 L438 | W223-F227 HydrophobicContact CB-CE2 3.87Å; W223-F227 HydrophobicContact CB-CZ 4.11Å; W223-F227 HydrophobicContact CD2-CZ 4.39Å; W223-F227 HydrophobicContact CE3-CE1 4.17Å; W223-F227 AromaticContact CE3-CZ 3.73Å; W223-F227 HydrophobicContact CE3-CZ 3.73Å; W223-F227 WeakPolarHBondContact O-CD2 3.38Å; W223-F227 WeakPolarHBondContact O-CE2 3.37Å; W223-F227 VanDerWaalsContact O-CG 3.28Å; W223-F227 WeakPolarHBondContact O-CG 3.47Å; W223-F227 PolarHBondContact O-N 2.92Å; L224-F227 PolarHBondContact O-N 3.15Å; L224-F227 VanDerWaalsContact O-N 3.16Å; F227-A229 VanDerWaalsContact C-N 3.34Å; F227-A229 PolarHBondContact O-N 3.22Å; F227-I230 PolarHBondContact O-N 2.95Å; F227-L231 VanDerWaalsContact O-CG 3.31Å; F227-L231 WeakPolarHBondContact O-CG 3.42Å; F227-L231 PolarHBondContact O-N 3.47Å; F227-V260 HydrophobicContact CE1-CG1 4.37Å; F227-V260 HydrophobicContact CE2-CG1 3.7Å; F227-V260 HydrophobicContact CZ-CG1 3.26Å; F227-W264 HydrophobicContact CB-CH2 4.17Å; F227-W264 HydrophobicContact CB-CZ2 3.67Å; F227-W264 AromaticContact CD1-CE2 3.91Å; F227-W264 AromaticContact CD1-CZ2 3.49Å; F227-W264 HydrophobicContact CD1-CZ2 3.49Å; F227-W264 VanDerWaalsContact CD1-CZ2 3.49Å; F227-W264 AromaticContact CD1-NE1 3.76Å; F227-W264 AromaticContact CD2-CE2 3.74Å; F227-W264 AromaticContact CD2-CZ2 3.97Å; F227-W264 HydrophobicContact CD2-CZ2 3.97Å; F227-W264 AromaticContact CD2-NE1 3.34Å; F227-W264 VanDerWaalsContact CD2-NE1 3.34Å; F227-W264 HydrophobicContact CE1-CZ2 4.16Å; F227-W264 AromaticContact CE1-NE1 3.65Å; F227-W264 AromaticContact CE2-CD1 3.84Å; F227-W264 AromaticContact CE2-NE1 3.21Å; F227-W264 AromaticContact CG-CE2 3.69Å; F227-W264 HydrophobicContact CG-CH2 4.37Å; F227-W264 AromaticContact CG-CZ2 3.41Å; F227-W264 HydrophobicContact CG-CZ2 3.41Å; F227-W264 VanDerWaalsContact CG-CZ2 3.41Å; F227-W264 AromaticContact CG-NE1 3.66Å; F227-W264 AromaticContact CZ-NE1 3.41Å; F227-L438 HydrophobicContact CB-CD2 3.91Å; F227-L438 HydrophobicContact CD2-CD2 4.2Å; F227-L438 HydrophobicContact CG-CD2 4.42Å |
| 228 | E | 81.4 | Confident | 79.9 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -45 | 172.5 | -71.5 | -177.8 | 169.6 | 0 | 0 | 111.9 | L224 I230 L231 Y232 L270 S273 F275 | L224-E228 WeakPolarHBondContact O-CG 3.5Å; L224-E228 PolarHBondContact O-N 3.43Å; E228-I230 PolarHBondContact O-N 2.94Å; E228-L231 PolarHBondContact O-N 3.46Å; E228-Y232 WeakPolarHBondContact O-CB 3.29Å; E228-Y232 PolarHBondContact O-N 3.45Å; E228-L270 HydrophobicContact CG-CD1 4.44Å; E228-L270 HydrophobicContact CG-CD2 4.45Å; E228-L270 WeakPolarHBondContact OE1-CD2 3.07Å; E228-S273 VanDerWaalsContact CD-CB 3.49Å; E228-S273 WeakPolarHBondContact OE1-CB 3.43Å; E228-S273 WeakPolarHBondContact OE2-CB 3.24Å; E228-F275 HydrophobicContact CB-CD2 3.69Å; E228-F275 HydrophobicContact CB-CE2 4.07Å; E228-F275 WeakPolarHBondContact OE2-CD2 3.41Å |
| 229 | A | 81.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | K225 L226 F227 Y232 Y233 F275 | K225-A229 WeakPolarHBondContact O-CB 3.31Å; K225-A229 PolarHBondContact O-N 3.35Å; L226-A229 PolarHBondContact O-N 3.01Å; F227-A229 VanDerWaalsContact C-N 3.34Å; F227-A229 PolarHBondContact O-N 3.22Å; A229-Y232 WeakPolarHBondContact O-CB 3.4Å; A229-Y232 PolarHBondContact O-N 3.44Å; A229-Y233 HydrophobicContact CB-CE2 4.24Å; A229-Y233 WeakPolarHBondContact O-CD2 3.21Å; A229-Y233 PolarHBondContact O-N 3.24Å; A229-F275 HydrophobicContact CB-CE1 4.06Å; A229-F275 HydrophobicContact CB-CE2 4.32Å; A229-F275 HydrophobicContact CB-CZ 3.77Å |
| 230 | I | 85.3 | Confident | 81.2 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.4 | -65.6 | 169.3 | 0 | 0 | 0 | 110.8 | L186 L226 F227 E228 Y232 Y233 I234 T248 L249 I252 | L186-I230 HydrophobicContact CD2-CG1 4.37Å; L226-I230 HydrophobicContact CD1-CD1 4.02Å; L226-I230 HydrophobicContact CD1-CG1 4.31Å; L226-I230 HydrophobicContact CG-CD1 4.03Å; L226-I230 WeakPolarHBondContact O-CG1 3.48Å; L226-I230 PolarHBondContact O-N 3.44Å; F227-I230 PolarHBondContact O-N 2.95Å; E228-I230 PolarHBondContact O-N 2.94Å; I230-Y232 VanDerWaalsContact C-N 3.29Å; I230-Y232 PolarHBondContact O-N 2.68Å; I230-Y233 PolarHBondContact O-N 3.13Å; I230-I234 HydrophobicContact CG2-CD1 4.46Å; I230-I234 WeakPolarHBondContact O-CG1 3.48Å; I230-I234 PolarHBondContact O-N 3.03Å; I230-I234 VanDerWaalsContact O-N 3.13Å; I230-T248 HydrophobicContact CD1-CG2 4.2Å; I230-L249 HydrophobicContact CG2-CB 4.46Å; I230-L249 HydrophobicContact CG2-CD1 3.96Å; I230-L249 HydrophobicContact CG2-CG 4.17Å; I230-I252 HydrophobicContact CD1-CD1 3.4Å |
| 231 | L | 84 | Confident | 81.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -36.9 | 176.3 | -68.9 | 170.8 | 0 | 0 | 0 | 111.9 | F227 E228 I234 C235 L249 F276 L438 F441 C442 L445 | F227-L231 VanDerWaalsContact O-CG 3.31Å; F227-L231 WeakPolarHBondContact O-CG 3.42Å; F227-L231 PolarHBondContact O-N 3.47Å; E228-L231 PolarHBondContact O-N 3.46Å; L231-I234 PolarHBondContact O-N 3.34Å; L231-C235 PolarHBondContact O-SG 3.05Å; L231-C235 VanDerWaalsContact O-SG 3.4Å; L231-L249 HydrophobicContact CD2-CD1 4.09Å; L231-F276 HydrophobicContact CB-CZ 4.28Å; L231-L438 HydrophobicContact CD1-CD1 4.34Å; L231-F441 HydrophobicContact CD1-CD1 4.2Å; L231-F441 HydrophobicContact CD1-CE1 4.22Å; L231-C442 HydrophobicContact CD2-CB 4.06Å; L231-L445 HydrophobicContact CD2-CD2 4.31Å |
| 232 | Y | 84.1 | Confident | 82.4 | Confident | 82 Ų | 82 | 33 Ų | 33 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 173.5 | 176.4 | -94.7 | 0 | 0 | 0 | 112 | E228 A229 I230 I234 C235 F275 F276 | E228-Y232 WeakPolarHBondContact O-CB 3.29Å; E228-Y232 PolarHBondContact O-N 3.45Å; A229-Y232 WeakPolarHBondContact O-CB 3.4Å; A229-Y232 PolarHBondContact O-N 3.44Å; I230-Y232 VanDerWaalsContact C-N 3.29Å; I230-Y232 PolarHBondContact O-N 2.68Å; Y232-I234 VanDerWaalsContact C-N 3.27Å; Y232-I234 PolarHBondContact O-N 3.5Å; Y232-C235 WeakPolarHBondContact O-CB 3.48Å; Y232-C235 PolarHBondContact O-N 3.02Å; Y232-F275 HydrophobicContact CD2-CB 4.37Å; Y232-F275 HydrophobicContact CG-CD1 4.48Å; Y232-F276 HydrophobicContact CD2-CE1 4.4Å |
| 233 | Y | 84.6 | Confident | 82.9 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -24.4 | 180 | -70.9 | -58.3 | 0 | 0 | 0 | 113.9 | L170 V182 A229 I230 C235 S236 I241 | L170-Y233 HydrophobicContact CD2-CE2 4.01Å; L170-Y233 PolarHBondContact O-OH 3.27Å; V182-Y233 HydrophobicContact CG1-CD1 3.81Å; V182-Y233 HydrophobicContact CG1-CD2 4.26Å; V182-Y233 HydrophobicContact CG1-CE1 3.72Å; V182-Y233 HydrophobicContact CG1-CE2 4.21Å; V182-Y233 HydrophobicContact CG1-CG 4.1Å; V182-Y233 HydrophobicContact CG2-CE1 4.01Å; A229-Y233 HydrophobicContact CB-CE2 4.24Å; A229-Y233 WeakPolarHBondContact O-CD2 3.21Å; A229-Y233 PolarHBondContact O-N 3.24Å; I230-Y233 PolarHBondContact O-N 3.13Å; Y233-C235 PolarHBondContact O-N 3.29Å; Y233-S236 VanDerWaalsContact O-CB 3.3Å; Y233-S236 WeakPolarHBondContact O-CB 3.28Å; Y233-S236 PolarHBondContact O-N 3.49Å; Y233-S236 PolarHBondContact O-OG 2.9Å; Y233-I241 HydrophobicContact CD1-CG2 4.26Å |
| 234 | I | 84.4 | Confident | 83.2 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -32.7 | 170.7 | -72.6 | 168.4 | 0 | 0 | 0 | 111.6 | I230 L231 Y232 S236 A245 L246 L249 L446 L449 F450 | I230-I234 HydrophobicContact CG2-CD1 4.46Å; I230-I234 WeakPolarHBondContact O-CG1 3.48Å; I230-I234 PolarHBondContact O-N 3.03Å; I230-I234 VanDerWaalsContact O-N 3.13Å; L231-I234 PolarHBondContact O-N 3.34Å; Y232-I234 VanDerWaalsContact C-N 3.27Å; Y232-I234 PolarHBondContact O-N 3.5Å; I234-S236 PolarHBondContact O-N 2.9Å; I234-A245 HydrophobicContact CG1-CB 3.67Å; I234-L246 HydrophobicContact CD1-CD2 4.01Å; I234-L246 HydrophobicContact CG1-CD2 4.24Å; I234-L246 HydrophobicContact CG1-CG 4.38Å; I234-L246 HydrophobicContact CG2-CD2 4.31Å; I234-L249 HydrophobicContact CD1-CD1 3.31Å; I234-L446 HydrophobicContact CD1-CD2 4.32Å; I234-L446 HydrophobicContact CG2-CD2 3.98Å; I234-L449 HydrophobicContact CG2-CD1 4.11Å; I234-F450 HydrophobicContact CG2-CE2 3.68Å; I234-F450 HydrophobicContact CG2-CZ 3.98Å |
| 235 | C | 81.4 | Confident | 83.7 | Confident | 44 Ų | 44 | 32 Ų | 32 | 30% | 0.297 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 2.1 | 179.4 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | L231 Y232 Y233 | L231-C235 PolarHBondContact O-SG 3.05Å; L231-C235 VanDerWaalsContact O-SG 3.4Å; Y232-C235 WeakPolarHBondContact O-CB 3.48Å; Y232-C235 PolarHBondContact O-N 3.02Å; Y233-C235 PolarHBondContact O-N 3.29Å |
| 236 | S | 79.9 | Confident | 84.1 | Confident | 37 Ų | 37 | 27.6 Ų | 27.6 | 26% | 0.259 | 16% | 0.162 | S | C | . | . | trans | -69.1 | 146.1 | -177.7 | 68 | 0 | 0 | 0 | 0 | 112.6 | Y233 I234 N238 | Y233-S236 VanDerWaalsContact O-CB 3.3Å; Y233-S236 WeakPolarHBondContact O-CB 3.28Å; Y233-S236 PolarHBondContact O-N 3.49Å; Y233-S236 PolarHBondContact O-OG 2.9Å; I234-S236 PolarHBondContact O-N 2.9Å; S236-N238 PolarHBondContact O-N 3.3Å | ||
| 237 | T | 74.3 | Confident | 84.4 | Confident | 156 Ų | 156 | 31.7 Ų | 31.7 | 96% | 0.957 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -68.5 | -15.9 | 176.4 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | S239 | T237-S239 PolarHBondContact O-N 3.47Š|
| 238 | N | 83.4 | Confident | 84.6 | Confident | 60 Ų | 60 | 31.6 Ų | 31.6 | 32% | 0.321 | 18% | 0.181 | S | C | . | . | trans | -85.3 | 108.3 | 178.5 | -172.3 | -30.9 | 0 | 0 | 0 | 110.8 | S236 V240 I241 A242 | S236-N238 PolarHBondContact O-N 3.3Å; N238-V240 PolarHBondContact O-N 2.92Å; N238-V240 PolarHBondContact OD1-N 2.96Å; N238-I241 HydrophobicContact CB-CB 4.27Å; N238-I241 HydrophobicContact CB-CD1 3.93Å; N238-I241 HydrophobicContact CB-CG1 4.03Å; N238-I241 PolarHBondContact O-N 3.4Å; N238-A242 PolarHBondContact O-N 3.38Å; N238-A242 VanDerWaalsContact O-N 3.08Å | ||
| 239 | S | 83 | Confident | 84.9 | Confident | 38 Ų | 38 | 31.5 Ų | 31.5 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -54.6 | -28.3 | -177.5 | 63.8 | 0 | 0 | 0 | 0 | 114.7 | T237 S243 H469 | T237-S239 PolarHBondContact O-N 3.47Å; S239-S243 WeakPolarHBondContact O-CB 3.49Å; S239-S243 PolarHBondContact O-N 2.92Å; S239-S243 VanDerWaalsContact O-N 3.12Å; S239-S243 PolarHBondContact O-OG 3.37Å; S239-S243 VanDerWaalsContact O-OG 3.04Å; S239-H469 PolarHBondContact O-NE2 3.31Å; S239-H469 VanDerWaalsContact O-NE2 3.16Å |
| 240 | V | 84.7 | Confident | 85.3 | Confident | 80 Ų | 80 | 32.1 Ų | 32.1 | 49% | 0.485 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -77.8 | -38.9 | -179.5 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | L183 N238 S243 A244 | L183-V240 HydrophobicContact CD1-CG1 4.05Å; L183-V240 HydrophobicContact CD2-CG1 4.01Å; N238-V240 PolarHBondContact O-N 2.92Å; N238-V240 PolarHBondContact OD1-N 2.96Å; V240-S243 PolarHBondContact O-N 3.46Å; V240-A244 WeakPolarHBondContact O-CB 3.27Å; V240-A244 PolarHBondContact O-N 3.45Å |
| 241 | I | 86.4 | Confident | 85.3 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -44.7 | 175.9 | -61.3 | 178.6 | 0 | 0 | 0 | 109.4 | V182 L183 Y233 N238 S243 A244 A245 | V182-I241 HydrophobicContact CG1-CG2 4.13Å; L183-I241 HydrophobicContact CD2-CG1 4.18Å; L183-I241 HydrophobicContact CG-CG1 4.12Å; Y233-I241 HydrophobicContact CD1-CG2 4.26Å; N238-I241 HydrophobicContact CB-CB 4.27Å; N238-I241 HydrophobicContact CB-CD1 3.93Å; N238-I241 HydrophobicContact CB-CG1 4.03Å; N238-I241 PolarHBondContact O-N 3.4Å; I241-S243 PolarHBondContact O-N 3.16Å; I241-A244 PolarHBondContact O-N 2.99Å; I241-A245 WeakPolarHBondContact O-CB 3.49Å; I241-A245 PolarHBondContact O-N 3.41Å |
| 242 | A | 86.1 | Confident | 85.3 | Confident | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | N238 A245 L246 | N238-A242 PolarHBondContact O-N 3.38Å; N238-A242 VanDerWaalsContact O-N 3.08Å; A242-A245 PolarHBondContact O-N 3.26Å; A242-L246 WeakPolarHBondContact O-CG 3.44Å; A242-L246 PolarHBondContact O-N 2.87Å |
| 243 | S | 88.6 | Confident | 85.2 | Confident | 25 Ų | 25 | 33.5 Ų | 33.5 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 175.2 | -68.6 | 0 | 0 | 0 | 0 | 112.9 | S239 V240 I241 A245 L246 E247 H469 | S239-S243 WeakPolarHBondContact O-CB 3.49Å; S239-S243 PolarHBondContact O-N 2.92Å; S239-S243 VanDerWaalsContact O-N 3.12Å; S239-S243 PolarHBondContact O-OG 3.37Å; S239-S243 VanDerWaalsContact O-OG 3.04Å; V240-S243 PolarHBondContact O-N 3.46Å; I241-S243 PolarHBondContact O-N 3.16Å; S243-A245 VanDerWaalsContact C-N 3.34Å; S243-A245 PolarHBondContact O-N 3.08Å; S243-L246 PolarHBondContact O-N 3.19Å; S243-E247 PolarHBondContact O-N 2.96Å; S243-H469 PolarHBondContact OG-CD2 3.34Å; S243-H469 VanDerWaalsContact OG-CD2 3.26Å; S243-H469 PolarHBondContact OG-NE2 3.15Å; S243-H469 VanDerWaalsContact OG-NE2 3.1Å |
| 244 | A | 86.8 | Confident | 85.1 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L183 L186 Q190 V240 I241 E247 T248 | L183-A244 HydrophobicContact CD2-CB 3.54Å; L186-A244 HydrophobicContact CD1-CB 4.22Å; Q190-A244 PolarHBondContact NE2-O 2.97Å; V240-A244 WeakPolarHBondContact O-CB 3.27Å; V240-A244 PolarHBondContact O-N 3.45Å; I241-A244 PolarHBondContact O-N 2.99Å; A244-E247 PolarHBondContact O-N 3.46Å; A244-T248 WeakPolarHBondContact O-CB 3.36Å; A244-T248 PolarHBondContact O-N 3.27Å; A244-T248 PolarHBondContact O-OG1 2.95Å |
| 245 | A | 89.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L186 I234 I241 A242 S243 T248 L249 | L186-A245 HydrophobicContact CD1-CB 4.15Å; I234-A245 HydrophobicContact CG1-CB 3.67Å; I241-A245 WeakPolarHBondContact O-CB 3.49Å; I241-A245 PolarHBondContact O-N 3.41Å; A242-A245 PolarHBondContact O-N 3.26Å; S243-A245 VanDerWaalsContact C-N 3.34Å; S243-A245 PolarHBondContact O-N 3.08Å; A245-T248 WeakPolarHBondContact O-CB 3.42Å; A245-T248 PolarHBondContact O-N 3.25Å; A245-L249 WeakPolarHBondContact O-CB 3.06Å; A245-L249 PolarHBondContact O-N 2.9Å |
| 246 | L | 89.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 173.6 | -72.2 | 170.8 | 0 | 0 | 0 | 112 | I234 A242 S243 T248 L249 V250 L446 F450 L472 V476 | I234-L246 HydrophobicContact CD1-CD2 4.01Å; I234-L246 HydrophobicContact CG1-CD2 4.24Å; I234-L246 HydrophobicContact CG1-CG 4.38Å; I234-L246 HydrophobicContact CG2-CD2 4.31Å; A242-L246 WeakPolarHBondContact O-CG 3.44Å; A242-L246 PolarHBondContact O-N 2.87Å; S243-L246 PolarHBondContact O-N 3.19Å; L246-T248 VanDerWaalsContact C-N 3.31Å; L246-T248 PolarHBondContact O-N 3.37Å; L246-L249 WeakPolarHBondContact O-CB 3.39Å; L246-L249 PolarHBondContact O-N 3.32Å; L246-L249 VanDerWaalsContact O-N 3.11Å; L246-V250 WeakPolarHBondContact O-CG2 3.39Å; L246-V250 PolarHBondContact O-N 2.95Å; L246-L446 HydrophobicContact CD2-CD2 3.42Å; L246-L446 VanDerWaalsContact CD2-CD2 3.42Å; L246-F450 HydrophobicContact CD1-CE2 4.05Å; L246-F450 HydrophobicContact CD1-CZ 4.24Å; L246-F450 HydrophobicContact CD2-CE2 4.23Å; L246-L472 HydrophobicContact CB-CB 4.01Å; L246-L472 HydrophobicContact CB-CD1 4.35Å; L246-L472 HydrophobicContact CD1-CB 4.09Å; L246-V476 HydrophobicContact CD2-CG2 4.31Å |
| 247 | E | 88.8 | Confident | 83.7 | Confident | 87 Ų | 87 | 38.9 Ų | 38.9 | 41% | 0.407 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 175.3 | -79.8 | 179.5 | 175.3 | 0 | 0 | 112 | S243 A244 L249 V250 R251 L472 | S243-E247 PolarHBondContact O-N 2.96Å; A244-E247 PolarHBondContact O-N 3.46Å; E247-L249 VanDerWaalsContact C-N 3.28Å; E247-L249 PolarHBondContact O-N 3.45Å; E247-V250 PolarHBondContact O-N 3.34Å; E247-R251 WeakPolarHBondContact O-CB 3.38Å; E247-R251 PolarHBondContact O-N 3.02Å; E247-L472 HydrophobicContact CG-CD1 4.06Å; E247-L472 HydrophobicContact CG-CD2 3.54Å; E247-L472 HydrophobicContact CG-CG 4.46Å |
| 248 | T | 88.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 174.6 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | L186 L189 Q190 I230 A244 A245 L246 R251 I252 | L186-T248 HydrophobicContact CD2-CG2 4.36Å; L186-T248 PolarHBondContact O-OG1 3.06Å; L189-T248 HydrophobicContact CB-CG2 4.08Å; Q190-T248 HydrophobicContact CG-CG2 4.29Å; Q190-T248 WeakPolarHBondContact CG-OG1 3.39Å; Q190-T248 PolarHBondContact NE2-OG1 3.41Å; I230-T248 HydrophobicContact CD1-CG2 4.2Å; A244-T248 WeakPolarHBondContact O-CB 3.36Å; A244-T248 PolarHBondContact O-N 3.27Å; A244-T248 PolarHBondContact O-OG1 2.95Å; A245-T248 WeakPolarHBondContact O-CB 3.42Å; A245-T248 PolarHBondContact O-N 3.25Å; L246-T248 VanDerWaalsContact C-N 3.31Å; L246-T248 PolarHBondContact O-N 3.37Å; T248-R251 PolarHBondContact O-N 3.41Å; T248-I252 HydrophobicContact CG2-CD1 3.78Å; T248-I252 HydrophobicContact CG2-CG1 4.31Å; T248-I252 WeakPolarHBondContact O-CB 3.36Å; T248-I252 WeakPolarHBondContact O-CG1 3.41Å; T248-I252 PolarHBondContact O-N 2.97Å |
| 249 | L | 89.4 | Confident | 82.2 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.6 | -43.1 | 178.4 | -134.3 | 161.4 | 0 | 0 | 0 | 112.1 | I230 L231 I234 A245 L246 E247 R251 I252 F253 V476 | I230-L249 HydrophobicContact CG2-CB 4.46Å; I230-L249 HydrophobicContact CG2-CD1 3.96Å; I230-L249 HydrophobicContact CG2-CG 4.17Å; L231-L249 HydrophobicContact CD2-CD1 4.09Å; I234-L249 HydrophobicContact CD1-CD1 3.31Å; A245-L249 WeakPolarHBondContact O-CB 3.06Å; A245-L249 PolarHBondContact O-N 2.9Å; L246-L249 WeakPolarHBondContact O-CB 3.39Å; L246-L249 PolarHBondContact O-N 3.32Å; L246-L249 VanDerWaalsContact O-N 3.11Å; E247-L249 VanDerWaalsContact C-N 3.28Å; E247-L249 PolarHBondContact O-N 3.45Å; L249-R251 VanDerWaalsContact C-N 3.33Å; L249-R251 PolarHBondContact O-N 3.5Å; L249-I252 PolarHBondContact O-N 3.13Å; L249-F253 HydrophobicContact CD2-CD2 3.32Å; L249-F253 HydrophobicContact CD2-CE2 2.92Å; L249-F253 HydrophobicContact CD2-CG 4.31Å; L249-F253 HydrophobicContact CD2-CZ 3.62Å; L249-F253 HydrophobicContact CG-CE2 4.43Å; L249-F253 PolarHBondContact O-N 3.23Å; L249-V476 HydrophobicContact CB-CG2 4.34Å; L249-V476 HydrophobicContact CD2-CG1 3.99Å |
| 250 | V | 88.9 | Confident | 81.7 | Confident | 14 Ų | 14 | 33 Ų | 33 | 9% | 0.085 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 171.8 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | L246 E247 I252 F253 R254 V476 | L246-V250 WeakPolarHBondContact O-CG2 3.39Å; L246-V250 PolarHBondContact O-N 2.95Å; E247-V250 PolarHBondContact O-N 3.34Å; V250-I252 VanDerWaalsContact C-N 3.33Å; V250-I252 PolarHBondContact O-N 3.3Å; V250-F253 PolarHBondContact O-N 3.15Å; V250-R254 WeakPolarHBondContact O-CB 3.39Å; V250-R254 WeakPolarHBondContact O-CG 3.32Å; V250-R254 PolarHBondContact O-N 2.87Å; V250-V476 HydrophobicContact CG2-CB 4.31Å; V250-V476 HydrophobicContact CG2-CG2 3.41Å; V250-V476 VanDerWaalsContact CG2-CG2 3.41Å |
| 251 | R | 86.4 | Confident | 81.1 | Confident | 102 Ų | 102 | 30.3 Ų | 30.3 | 39% | 0.385 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -66.1 | -36.7 | -178.1 | -152.4 | 104.4 | 175.4 | 129.2 | -0.4 | 112.3 | Q190 E247 T248 L249 N255 | Q190-R251 HydrophobicContact CB-CG 4.36Å; Q190-R251 WeakPolarHBondContact O-CG 3.41Å; Q190-R251 PolarHBondContact O-NE 2.98Å; E247-R251 WeakPolarHBondContact O-CB 3.38Å; E247-R251 PolarHBondContact O-N 3.02Å; T248-R251 PolarHBondContact O-N 3.41Å; L249-R251 VanDerWaalsContact C-N 3.33Å; L249-R251 PolarHBondContact O-N 3.5Å; R251-N255 PolarHBondContact O-N 2.98Å; R251-N255 PolarHBondContact O-ND2 2.72Å |
| 252 | I | 83.6 | Confident | 80.3 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.6 | -54.7 | 175.9 | -74.3 | 173.7 | 0 | 0 | 0 | 109.9 | F193 I230 T248 L249 V250 R254 N255 L256 | F193-I252 HydrophobicContact CD1-CB 4.48Å; F193-I252 HydrophobicContact CD1-CG1 3.99Å; F193-I252 HydrophobicContact CD2-CD1 4.27Å; F193-I252 HydrophobicContact CD2-CG1 3.68Å; F193-I252 HydrophobicContact CE1-CB 4.33Å; F193-I252 HydrophobicContact CE1-CD1 4.48Å; F193-I252 HydrophobicContact CE1-CG1 3.83Å; F193-I252 HydrophobicContact CE1-CG2 4.02Å; F193-I252 HydrophobicContact CE2-CD1 3.68Å; F193-I252 HydrophobicContact CE2-CG1 3.51Å; F193-I252 HydrophobicContact CG-CG1 3.9Å; F193-I252 HydrophobicContact CZ-CB 4.45Å; F193-I252 HydrophobicContact CZ-CD1 3.77Å; F193-I252 HydrophobicContact CZ-CG1 3.56Å; F193-I252 HydrophobicContact CZ-CG2 4.23Å; I230-I252 HydrophobicContact CD1-CD1 3.4Å; T248-I252 HydrophobicContact CG2-CD1 3.78Å; T248-I252 HydrophobicContact CG2-CG1 4.31Å; T248-I252 WeakPolarHBondContact O-CB 3.36Å; T248-I252 WeakPolarHBondContact O-CG1 3.41Å; T248-I252 PolarHBondContact O-N 2.97Å; L249-I252 PolarHBondContact O-N 3.13Å; V250-I252 VanDerWaalsContact C-N 3.33Å; V250-I252 PolarHBondContact O-N 3.3Å; I252-R254 VanDerWaalsContact C-N 3.26Å; I252-R254 PolarHBondContact O-N 3.45Å; I252-N255 CarbonylContact O-C 3.58Å; I252-N255 PolarHBondContact O-N 3.26Å; I252-N255 VanDerWaalsContact O-N 3.08Å; I252-L256 HydrophobicContact CG2-CD1 3.48Å; I252-L256 VanDerWaalsContact CG2-CD1 3.48Å; I252-L256 HydrophobicContact CG2-CG 4.22Å; I252-L256 WeakPolarHBondContact O-CA 3.29Å; I252-L256 VanDerWaalsContact O-CB 3.31Å; I252-L256 WeakPolarHBondContact O-CB 2.99Å; I252-L256 PolarHBondContact O-N 3.11Å; I252-L256 VanDerWaalsContact O-N 3.09Å |
| 253 | F | 82.4 | Confident | 79.8 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.9 | -33.9 | -179.5 | -76.4 | -46.4 | 0 | 0 | 0 | 113.2 | L249 V250 N255 L256 W264 L439 V476 E479 I480 L483 | L249-F253 HydrophobicContact CD2-CD2 3.32Å; L249-F253 HydrophobicContact CD2-CE2 2.92Å; L249-F253 HydrophobicContact CD2-CG 4.31Å; L249-F253 HydrophobicContact CD2-CZ 3.62Å; L249-F253 HydrophobicContact CG-CE2 4.43Å; L249-F253 PolarHBondContact O-N 3.23Å; V250-F253 PolarHBondContact O-N 3.15Å; F253-N255 VanDerWaalsContact C-N 3.34Å; F253-N255 PolarHBondContact O-N 2.89Å; F253-L256 HydrophobicContact CD1-CD1 3.49Å; F253-L256 VanDerWaalsContact CD1-CD1 3.49Å; F253-L256 HydrophobicContact CE1-CD1 4.03Å; F253-L256 HydrophobicContact CG-CD1 4.39Å; F253-W264 AromaticContact CE1-CD2 3.83Å; F253-W264 HydrophobicContact CE1-CD2 3.83Å; F253-W264 AromaticContact CE1-CE3 3.92Å; F253-W264 HydrophobicContact CE1-CE3 3.92Å; F253-W264 HydrophobicContact CE1-CG 4.33Å; F253-W264 HydrophobicContact CE1-CH2 4.41Å; F253-W264 HydrophobicContact CE1-CZ2 4.32Å; F253-W264 HydrophobicContact CE1-CZ3 4.22Å; F253-W264 HydrophobicContact CZ-CD2 4.14Å; F253-W264 AromaticContact CZ-CE3 3.76Å; F253-W264 HydrophobicContact CZ-CE3 3.76Å; F253-W264 AromaticContact CZ-CH2 3.94Å; F253-W264 HydrophobicContact CZ-CH2 3.94Å; F253-W264 HydrophobicContact CZ-CZ2 4.29Å; F253-W264 AromaticContact CZ-CZ3 3.67Å; F253-W264 HydrophobicContact CZ-CZ3 3.67Å; F253-L439 HydrophobicContact CE1-CD1 3.74Å; F253-L439 HydrophobicContact CZ-CD1 3.69Å; F253-V476 HydrophobicContact CD2-CG1 4.07Å; F253-V476 HydrophobicContact CE2-CG1 3.94Å; F253-E479 HydrophobicContact CB-CB 3.64Å; F253-E479 HydrophobicContact CB-CG 4.23Å; F253-E479 HydrophobicContact CG-CB 4.41Å; F253-I480 HydrophobicContact CD2-CG1 4.22Å; F253-I480 HydrophobicContact CE2-CD1 4.12Å; F253-I480 HydrophobicContact CE2-CG1 3.68Å; F253-I480 HydrophobicContact CZ-CG1 4.24Å; F253-L483 HydrophobicContact CD1-CD1 3.7Å; F253-L483 HydrophobicContact CE1-CD1 4.25Å; F253-L483 HydrophobicContact CG-CD1 4.31Å |
| 254 | R | 81.1 | Confident | 79.3 | Confident | 114 Ų | 114 | 32.6 Ų | 32.6 | 43% | 0.43 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65 | -33.5 | 175.1 | -79.9 | -178.5 | 177.6 | 167.2 | 6.7 | 114.2 | V250 I252 E479 | V250-R254 WeakPolarHBondContact O-CB 3.39Å; V250-R254 WeakPolarHBondContact O-CG 3.32Å; V250-R254 PolarHBondContact O-N 2.87Å; I252-R254 VanDerWaalsContact C-N 3.26Å; I252-R254 PolarHBondContact O-N 3.45Å; R254-E479 HydrophobicContact CG-CG 3.92Å; R254-E479 WeakPolarHBondContact CG-OE1 3.35Å; R254-E479 IonicContact CZ-OE1 3.07Å; R254-E479 IonicContact NE-OE1 2.72Å; R254-E479 PolarHBondContact NE-OE1 2.94Å; R254-E479 IonicContact NH2-OE1 2.65Å |
| 255 | N | 77.5 | Confident | 78.6 | Confident | 43 Ų | 43 | 34.7 Ų | 34.7 | 23% | 0.23 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 31 | -169.7 | -58.6 | -58.3 | 0 | 0 | 0 | 112.4 | A197 R251 I252 F253 P257 | A197-N255 HydrophobicContact CB-CB 3.92Å; R251-N255 PolarHBondContact O-N 2.98Å; R251-N255 PolarHBondContact O-ND2 2.72Å; I252-N255 CarbonylContact O-C 3.58Å; I252-N255 PolarHBondContact O-N 3.26Å; I252-N255 VanDerWaalsContact O-N 3.08Å; F253-N255 VanDerWaalsContact C-N 3.34Å; F253-N255 PolarHBondContact O-N 2.89Å; N255-P257 WeakPolarHBondContact O-CD 3.24Å |
| 256 | L | 73.4 | Confident | 77.8 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | trans | -81.8 | 124 | -168.8 | -138.5 | 139.8 | 0 | 0 | 0 | 111.7 | I252 F253 V260 L261 | I252-L256 HydrophobicContact CG2-CD1 3.48Å; I252-L256 VanDerWaalsContact CG2-CD1 3.48Å; I252-L256 HydrophobicContact CG2-CG 4.22Å; I252-L256 WeakPolarHBondContact O-CA 3.29Å; I252-L256 VanDerWaalsContact O-CB 3.31Å; I252-L256 WeakPolarHBondContact O-CB 2.99Å; I252-L256 PolarHBondContact O-N 3.11Å; I252-L256 VanDerWaalsContact O-N 3.09Å; F253-L256 HydrophobicContact CD1-CD1 3.49Å; F253-L256 VanDerWaalsContact CD1-CD1 3.49Å; F253-L256 HydrophobicContact CE1-CD1 4.03Å; F253-L256 HydrophobicContact CG-CD1 4.39Å; L256-V260 HydrophobicContact CD2-CB 3.7Å; L256-V260 HydrophobicContact CD2-CG1 3.67Å; L256-V260 HydrophobicContact CG-CG1 4.38Å; L256-L261 VanDerWaalsContact CD2-CA 3.45Å; L256-L261 HydrophobicContact CD2-CB 3.82Å | ||
| 257 | P | 65.2 | Low | 76.8 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 16% | 0.156 | 24% | 0.236 | C | C | . | . | trans | -64.8 | 146.4 | 175.1 | -19.6 | 31 | 0 | 0 | 0 | 111.7 | N255 R259 V260 L261 | N255-P257 WeakPolarHBondContact O-CD 3.24Å; P257-R259 VanDerWaalsContact C-N 3.3Å; P257-R259 PolarHBondContact O-N 3.21Å; P257-V260 HydrophobicContact CB-CG2 4.14Å; P257-V260 HydrophobicContact CG-CG2 4.2Å; P257-V260 WeakPolarHBondContact O-CB 3.36Å; P257-V260 PolarHBondContact O-N 2.75Å; P257-L261 PolarHBondContact O-N 2.95Å | ||
| 258 | A | 62 | Low | 75.7 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 22% | 0.223 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -33.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V260 L261 C262 | A258-V260 VanDerWaalsContact C-N 3.33Å; A258-L261 PolarHBondContact O-N 3.16Å; A258-C262 PolarHBondContact O-N 3.14Å; A258-C262 PolarHBondContact O-SG 3.11Å |
| 259 | R | 65.3 | Low | 74.6 | Confident | 99 Ų | 99 | 50.7 Ų | 50.7 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 174.2 | 177.6 | 178.1 | 166 | 173.6 | -8.7 | 111.4 | D216 D220 P257 C262 | D216-R259 IonicContact OD1-CZ 2.85Å; D216-R259 IonicContact OD1-NH1 3.88Å; D216-R259 PolarHBondContact OD1-NH1 2.93Å; D220-R259 IonicContact OD1-CZ 3.63Å; D220-R259 IonicContact OD1-NE 3.47Å; D220-R259 PolarHBondContact OD1-NE 3.23Å; D220-R259 IonicContact OD1-NH2 2.73Å; D220-R259 PolarHBondContact OD1-NH2 3.17Å; D220-R259 IonicContact OD2-NH2 3.53Å; P257-R259 VanDerWaalsContact C-N 3.3Å; P257-R259 PolarHBondContact O-N 3.21Å; R259-C262 WeakPolarHBondContact O-CB 3.39Å; R259-C262 PolarHBondContact O-N 3.38Å |
| 260 | V | 71.6 | Confident | 73.3 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.5 | -35.2 | -179.2 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | W223 F227 L256 P257 A258 C262 L263 W264 | W223-V260 HydrophobicContact CD2-CG1 4.46Å; W223-V260 HydrophobicContact CD2-CG2 4.16Å; W223-V260 HydrophobicContact CE3-CG1 4.41Å; W223-V260 HydrophobicContact CZ2-CG2 4.23Å; F227-V260 HydrophobicContact CE1-CG1 4.37Å; F227-V260 HydrophobicContact CE2-CG1 3.7Å; F227-V260 HydrophobicContact CZ-CG1 3.26Å; L256-V260 HydrophobicContact CD2-CB 3.7Å; L256-V260 HydrophobicContact CD2-CG1 3.67Å; L256-V260 HydrophobicContact CG-CG1 4.38Å; P257-V260 HydrophobicContact CB-CG2 4.14Å; P257-V260 HydrophobicContact CG-CG2 4.2Å; P257-V260 WeakPolarHBondContact O-CB 3.36Å; P257-V260 PolarHBondContact O-N 2.75Å; A258-V260 VanDerWaalsContact C-N 3.33Å; V260-C262 VanDerWaalsContact C-N 3.27Å; V260-C262 PolarHBondContact O-N 3Å; V260-L263 WeakPolarHBondContact O-CB 3.4Å; V260-L263 PolarHBondContact O-N 2.87Å; V260-W264 PolarHBondContact O-N 3.37Å |
| 261 | L | 71.9 | Confident | 72.1 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.12 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -39.8 | 174.6 | -179.9 | 64 | 0 | 0 | 0 | 111.7 | L256 P257 A258 L263 W264 T265 L483 T1399 | L256-L261 VanDerWaalsContact CD2-CA 3.45Å; L256-L261 HydrophobicContact CD2-CB 3.82Å; P257-L261 PolarHBondContact O-N 2.95Å; A258-L261 PolarHBondContact O-N 3.16Å; L261-L263 PolarHBondContact O-N 3.25Å; L261-W264 PolarHBondContact O-N 2.98Å; L261-T265 HydrophobicContact CD1-CG2 4.41Å; L261-T265 PolarHBondContact O-N 2.99Å; L261-T265 VanDerWaalsContact O-N 3.16Å; L261-T265 PolarHBondContact O-OG1 3.15Å; L261-L483 HydrophobicContact CD1-CD1 3.86Å; L261-L483 HydrophobicContact CD1-CD2 3.84Å; L261-L483 HydrophobicContact CD1-CG 4.35Å; L261-L483 HydrophobicContact CD2-CD2 4.17Å; L261-T1399 HydrophobicContact CD2-CG2 4.43Å |
| 262 | C | 70.5 | Confident | 70.5 | Confident | 76 Ų | 76 | 62.1 Ų | 62.1 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.8 | -30.3 | 175.5 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | A258 R259 V260 R266 | A258-C262 PolarHBondContact O-N 3.14Å; A258-C262 PolarHBondContact O-SG 3.11Å; R259-C262 WeakPolarHBondContact O-CB 3.39Å; R259-C262 PolarHBondContact O-N 3.38Å; V260-C262 VanDerWaalsContact C-N 3.27Å; V260-C262 PolarHBondContact O-N 3Å; C262-R266 WeakPolarHBondContact O-CB 3.38Å; C262-R266 PolarHBondContact O-N 3.04Å |
| 263 | L | 76.1 | Confident | 69.4 | Low | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.8 | -33.3 | 176 | -63 | 173.6 | 0 | 0 | 0 | 112.2 | D220 W223 L224 V260 L261 | D220-L263 HydrophobicContact CB-CD1 4.17Å; D220-L263 HydrophobicContact CB-CD2 4.12Å; W223-L263 HydrophobicContact CB-CD1 4.06Å; L224-L263 HydrophobicContact CD2-CB 4.45Å; V260-L263 WeakPolarHBondContact O-CB 3.4Å; V260-L263 PolarHBondContact O-N 2.87Å; L261-L263 PolarHBondContact O-N 3.25Å |
| 264 | W | 77.2 | Confident | 68.2 | Low | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.9 | -35.7 | 177.2 | -79.4 | 85.4 | 0 | 0 | 0 | 113.1 | F227 F253 V260 L261 L438 L439 C442 | F227-W264 HydrophobicContact CB-CH2 4.17Å; F227-W264 HydrophobicContact CB-CZ2 3.67Å; F227-W264 AromaticContact CD1-CE2 3.91Å; F227-W264 AromaticContact CD1-CZ2 3.49Å; F227-W264 HydrophobicContact CD1-CZ2 3.49Å; F227-W264 VanDerWaalsContact CD1-CZ2 3.49Å; F227-W264 AromaticContact CD1-NE1 3.76Å; F227-W264 AromaticContact CD2-CE2 3.74Å; F227-W264 AromaticContact CD2-CZ2 3.97Å; F227-W264 HydrophobicContact CD2-CZ2 3.97Å; F227-W264 AromaticContact CD2-NE1 3.34Å; F227-W264 VanDerWaalsContact CD2-NE1 3.34Å; F227-W264 HydrophobicContact CE1-CZ2 4.16Å; F227-W264 AromaticContact CE1-NE1 3.65Å; F227-W264 AromaticContact CE2-CD1 3.84Å; F227-W264 AromaticContact CE2-NE1 3.21Å; F227-W264 AromaticContact CG-CE2 3.69Å; F227-W264 HydrophobicContact CG-CH2 4.37Å; F227-W264 AromaticContact CG-CZ2 3.41Å; F227-W264 HydrophobicContact CG-CZ2 3.41Å; F227-W264 VanDerWaalsContact CG-CZ2 3.41Å; F227-W264 AromaticContact CG-NE1 3.66Å; F227-W264 AromaticContact CZ-NE1 3.41Å; F253-W264 AromaticContact CE1-CD2 3.83Å; F253-W264 HydrophobicContact CE1-CD2 3.83Å; F253-W264 AromaticContact CE1-CE3 3.92Å; F253-W264 HydrophobicContact CE1-CE3 3.92Å; F253-W264 HydrophobicContact CE1-CG 4.33Å; F253-W264 HydrophobicContact CE1-CH2 4.41Å; F253-W264 HydrophobicContact CE1-CZ2 4.32Å; F253-W264 HydrophobicContact CE1-CZ3 4.22Å; F253-W264 HydrophobicContact CZ-CD2 4.14Å; F253-W264 AromaticContact CZ-CE3 3.76Å; F253-W264 HydrophobicContact CZ-CE3 3.76Å; F253-W264 AromaticContact CZ-CH2 3.94Å; F253-W264 HydrophobicContact CZ-CH2 3.94Å; F253-W264 HydrophobicContact CZ-CZ2 4.29Å; F253-W264 AromaticContact CZ-CZ3 3.67Å; F253-W264 HydrophobicContact CZ-CZ3 3.67Å; V260-W264 PolarHBondContact O-N 3.37Å; L261-W264 PolarHBondContact O-N 2.98Å; W264-L438 HydrophobicContact CD2-CD2 3.82Å; W264-L438 HydrophobicContact CE3-CB 4.08Å; W264-L438 HydrophobicContact CE3-CD2 3.66Å; W264-L438 HydrophobicContact CE3-CG 3.89Å; W264-L438 HydrophobicContact CG-CD2 4.49Å; W264-L438 HydrophobicContact CH2-CD2 4.05Å; W264-L438 HydrophobicContact CZ2-CD2 4.2Å; W264-L438 HydrophobicContact CZ3-CD2 3.77Å; W264-L438 HydrophobicContact CZ3-CG 3.93Å; W264-L438 PolarHBondContact O-N 3.4Å; W264-L439 HydrophobicContact CB-CD1 4.5Å; W264-L439 HydrophobicContact CE3-CD1 4.13Å; W264-L439 PolarHBondContact O-N 2.98Å; W264-C442 HydrophobicContact CZ3-CB 4.11Å |
| 265 | T | 72.4 | Confident | 67.3 | Low | 55 Ų | 55 | 61.5 Ų | 61.5 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -91.7 | -22.1 | -177.4 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | L261 R267 | L261-T265 HydrophobicContact CD1-CG2 4.41Å; L261-T265 PolarHBondContact O-N 2.99Å; L261-T265 VanDerWaalsContact O-N 3.16Å; L261-T265 PolarHBondContact O-OG1 3.15Å; T265-R267 PolarHBondContact O-N 3.16Å |
| 266 | R | 71.3 | Confident | 66.5 | Low | 165 Ų | 165 | 60.6 Ų | 60.6 | 62% | 0.623 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -67.2 | 120.4 | -179.4 | -178.5 | 176.2 | -170.2 | 176.9 | 4 | 111.3 | C262 G268 A269 | C262-R266 WeakPolarHBondContact O-CB 3.38Å; C262-R266 PolarHBondContact O-N 3.04Å; R266-G268 PolarHBondContact O-N 3.13Å; R266-A269 HydrophobicContact CB-CB 4.31Å; R266-A269 HydrophobicContact CG-CB 4.47Å; R266-A269 WeakPolarHBondContact O-CB 3.37Å; R266-A269 PolarHBondContact O-N 3.31Å |
| 267 | R | 70 | Confident | 65.6 | Low | 196 Ų | 196 | 66.2 Ų | 66.2 | 74% | 0.74 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 128 | 172.9 | -69.7 | -174.5 | -173.3 | -175.3 | 0.2 | 110.9 | T265 G435 | T265-R267 PolarHBondContact O-N 3.16Å; R267-G435 VanDerWaalsContact CB-O 3.26Å; R267-G435 WeakPolarHBondContact CB-O 3.31Å; R267-G435 WeakPolarHBondContact CG-O 3.37Å |
| 268 | G | 64.6 | Low | 64.4 | Low | 35 Ų | 35 | 68.4 Ų | 68.4 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 28.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | R266 L270 E436 | R266-G268 PolarHBondContact O-N 3.13Å; G268-L270 VanDerWaalsContact C-N 3.33Å; G268-E436 PolarHBondContact N-O 3.48Å |
| 269 | A | 65.2 | Low | 62.9 | Low | 27 Ų | 27 | 72.5 Ų | 72.5 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | trans | -66.8 | -32.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R266 | R266-A269 HydrophobicContact CB-CB 4.31Å; R266-A269 HydrophobicContact CG-CB 4.47Å; R266-A269 WeakPolarHBondContact O-CB 3.37Å; R266-A269 PolarHBondContact O-N 3.31Å | ||
| 270 | L | 62.5 | Low | 61.1 | Low | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.063 | 39% | 0.391 | C | S | . | . | trans | -91.8 | 130.3 | 176.5 | -73.8 | 175.3 | 0 | 0 | 0 | 110.9 | L224 E228 G268 F429 L433 L438 | L224-L270 HydrophobicContact CB-CD2 3.89Å; L224-L270 HydrophobicContact CD1-CD2 4.17Å; L224-L270 HydrophobicContact CD2-CD2 3.89Å; L224-L270 HydrophobicContact CD2-CG 4.28Å; L224-L270 HydrophobicContact CG-CD2 4.19Å; E228-L270 HydrophobicContact CG-CD1 4.44Å; E228-L270 HydrophobicContact CG-CD2 4.45Å; E228-L270 WeakPolarHBondContact OE1-CD2 3.07Å; G268-L270 VanDerWaalsContact C-N 3.33Å; L270-F429 HydrophobicContact CD1-CE2 4.28Å; L270-F429 HydrophobicContact CD1-CZ 4.05Å; L270-L433 HydrophobicContact CB-CD2 3.98Å; L270-L438 HydrophobicContact CD1-CD1 3.41Å; L270-L438 VanDerWaalsContact CD1-CD1 3.41Å; L270-L438 HydrophobicContact CG-CD1 4.37Å | ||
| 271 | K | 63.3 | Low | 59.3 | Low | 170 Ų | 170 | 79.8 Ų | 79.8 | 74% | 0.739 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -101.3 | -37.5 | 175.3 | -66 | -176 | 180 | 179.2 | 0 | 113.2 | ||
| 272 | F | 54.1 | Low | 57.2 | Low | 177 Ų | 177 | 85.6 Ų | 85.6 | 78% | 0.776 | 46% | 0.459 | S | S | * | . | trans | -155.9 | 144.1 | -179.6 | -52.6 | -81.1 | 0 | 0 | 0 | 108.8 | ||||
| 273 | S | 59.3 | Low | 55.1 | Low | 11 Ų | 11 | 86 Ų | 86 | 8% | 0.077 | 47% | 0.468 | C | S | . | . | trans | -118.4 | 149.2 | 174.8 | 91.4 | 0 | 0 | 0 | 0 | 112.9 | E228 F429 | E228-S273 VanDerWaalsContact CD-CB 3.49Å; E228-S273 WeakPolarHBondContact OE1-CB 3.43Å; E228-S273 WeakPolarHBondContact OE2-CB 3.24Å; S273-F429 WeakPolarHBondContact OG-CE1 3.39Å; S273-F429 WeakPolarHBondContact OG-CZ 3.35Å | ||
| 274 | S | 58.6 | Low | 52.8 | Low | 81 Ų | 81 | 92.3 Ų | 92.3 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -94.9 | -11.3 | 176.6 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 275 | F | 61.7 | Low | 50.5 | Low | 19 Ų | 19 | 97.8 Ų | 97.8 | 8% | 0.083 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -100.4 | -27.5 | -170.2 | -65.9 | -86.4 | 0 | 0 | 0 | 114.8 | V171 E228 A229 Y232 | V171-F275 HydrophobicContact CB-CZ 3.99Å; V171-F275 HydrophobicContact CG1-CE2 4.5Å; V171-F275 HydrophobicContact CG1-CZ 3.83Å; V171-F275 HydrophobicContact CG2-CE2 4.41Å; V171-F275 HydrophobicContact CG2-CZ 3.79Å; E228-F275 HydrophobicContact CB-CD2 3.69Å; E228-F275 HydrophobicContact CB-CE2 4.07Å; E228-F275 WeakPolarHBondContact OE2-CD2 3.41Å; A229-F275 HydrophobicContact CB-CE1 4.06Å; A229-F275 HydrophobicContact CB-CE2 4.32Å; A229-F275 HydrophobicContact CB-CZ 3.77Å; Y232-F275 HydrophobicContact CD2-CB 4.37Å; Y232-F275 HydrophobicContact CG-CD1 4.48Å |
| 276 | F | 61.2 | Low | 48.3 | Very low | 25 Ų | 25 | 103.5 Ų | 103.5 | 11% | 0.11 | 56% | 0.559 | C | S | . | * | S | Bend | trans | -109.8 | 14.8 | -170.7 | -66.2 | -80.6 | 0 | 0 | 0 | 113.9 | L231 Y232 I425 F429 | L231-F276 HydrophobicContact CB-CZ 4.28Å; Y232-F276 HydrophobicContact CD2-CE1 4.4Å; F276-I425 HydrophobicContact CD1-CG2 4Å; F276-I425 HydrophobicContact CE1-CG2 4.04Å; F276-F429 HydrophobicContact CB-CD1 4.03Å; F276-F429 HydrophobicContact CB-CE1 4.35Å; F276-F429 HydrophobicContact CB-CG 4.18Å; F276-F429 HydrophobicContact CD2-CD1 4.44Å; F276-F429 AromaticContact CD2-CD2 3.8Å; F276-F429 HydrophobicContact CD2-CD2 3.8Å; F276-F429 HydrophobicContact CD2-CE1 4.29Å; F276-F429 AromaticContact CD2-CE2 3.61Å; F276-F429 HydrophobicContact CD2-CE2 3.61Å; F276-F429 HydrophobicContact CD2-CG 4.23Å; F276-F429 AromaticContact CD2-CZ 3.88Å; F276-F429 HydrophobicContact CD2-CZ 3.88Å; F276-F429 HydrophobicContact CE2-CD2 4.17Å; F276-F429 AromaticContact CE2-CE2 3.91Å; F276-F429 HydrophobicContact CE2-CE2 3.91Å; F276-F429 HydrophobicContact CG-CD1 4.47Å; F276-F429 HydrophobicContact CG-CD2 4.19Å; F276-F429 HydrophobicContact CG-CE2 4.4Å; F276-F429 HydrophobicContact CG-CG 4.23Å |
| 277 | Q | 53.6 | Low | 46.1 | Very low | 148 Ų | 148 | 101.6 Ų | 101.6 | 69% | 0.692 | 57% | 0.571 | S | S | * | * | trans | -93.4 | 121.8 | 175.9 | -75.9 | -173.3 | -12.2 | 0 | 0 | 112.1 | S279 | Q277-S279 PolarHBondContact O-N 3.35Š| ||
| 278 | S | 40.8 | Very low | 44 | Very low | 70 Ų | 70 | 98.7 Ų | 98.7 | 49% | 0.49 | 58% | 0.575 | S | S | . | * | trans | -70.8 | 120 | 169.8 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | N280 Q426 | S278-N280 PolarHBondContact O-N 2.93Å; S278-N280 VanDerWaalsContact O-N 3.13Å; S278-Q426 PolarHBondContact OG-NE2 2.98Å | ||
| 279 | S | 28.9 | Very low | 42.3 | Very low | 113 Ų | 113 | 102.2 Ų | 102.2 | 79% | 0.79 | 59% | 0.592 | S | S | * | * | trans | -62.5 | 106.4 | 165.9 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | Q277 | Q277-S279 PolarHBondContact O-N 3.35Š| ||
| 280 | N | 29.1 | Very low | 40.3 | Very low | 149 Ų | 149 | 108.7 Ų | 108.7 | 80% | 0.797 | 62% | 0.622 | S | S | * | * | trans | -109 | 117.5 | 161.3 | -97.1 | -17.9 | 0 | 0 | 0 | 109.6 | S278 | S278-N280 PolarHBondContact O-N 2.93Å; S278-N280 VanDerWaalsContact O-N 3.13Å | ||
| 281 | P | 33.1 | Very low | 38.4 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 70% | 0.695 | 65% | 0.651 | S | S | * | * | trans | -84.8 | 121.6 | 175.1 | 32.4 | -27.3 | 0 | 0 | 0 | 109.3 | ||||
| 282 | T | 26.9 | Very low | 36.5 | Very low | 145 Ų | 145 | 114 Ų | 114 | 89% | 0.89 | 65% | 0.653 | S | S | * | * | trans | 169.1 | 122.4 | 141.1 | 33.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 283 | A | 27.5 | Very low | 35.1 | Very low | 85 Ų | 85 | 111.6 Ų | 111.6 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | trans | 65.9 | 101.4 | 144.3 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 284 | D | 27.7 | Very low | 33.4 | Very low | 144 Ų | 144 | 116.3 Ų | 116.3 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | 87.3 | 112.3 | 114.5 | -62.3 | -13.3 | 0 | 0 | 0 | 124.3 | |||||
| 285 | T | 28.2 | Very low | 31.8 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | trans | 60 | 138.9 | 133.2 | 53.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 286 | E | 26 | Very low | 30 | Very low | 175 Ų | 175 | 121.7 Ų | 121.7 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | cis | -170.3 | 138.7 | 8.2 | -112.4 | 176.5 | -169.7 | 0 | 0 | 108 | ||||
| 287 | S | 26.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | 161 | 130.7 | 134.2 | 53 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 288 | T | 25.8 | Very low | 26.8 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | trans | -64.5 | 163.1 | -174.9 | 45.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 289 | P | 27.7 | Very low | 25.9 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | cis | -145.4 | 149.7 | 39.1 | 39.3 | -18.7 | 0 | 0 | 0 | 119.2 | ||||
| 290 | L | 24.1 | Very low | 25.5 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 175.8 | 101.5 | 131.5 | -99.8 | 151.3 | 0 | 0 | 0 | 110.9 | ||||
| 291 | D | 22.7 | Very low | 25.3 | Very low | 126 Ų | 126 | 130 Ų | 130 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | 2.3 | 140.4 | 123.1 | -69.9 | -48.5 | 0 | 0 | 0 | 115.4 | |||||
| 292 | Q | 24.2 | Very low | 25.1 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | cis | 172 | 145.3 | 33.3 | -111.4 | 167.2 | 34.4 | 0 | 0 | 103.2 | ||||
| 293 | V | 24.6 | Very low | 24.9 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | -152.6 | 126.9 | 31.8 | 173.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 294 | S | 22.7 | Very low | 24.7 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -81.8 | 146.3 | 155.7 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 295 | V | 26 | Very low | 24.4 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -61.8 | 132.6 | 162.2 | 175.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 296 | G | 23.5 | Very low | 24.1 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -162.1 | 111.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 297 | S | 26.4 | Very low | 23.9 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -50.1 | 150 | -173.5 | -47.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 298 | L | 20.9 | Very low | 23.6 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | -158.9 | 140.4 | 119.1 | -130.2 | 90.7 | 0 | 0 | 0 | 112.8 | |||||
| 299 | E | 20.8 | Very low | 23.4 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -48.4 | 133.8 | 157.2 | -59.8 | 166.8 | 145.6 | 0 | 0 | 111.3 | ||||
| 300 | S | 21.5 | Very low | 23.1 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | 169.1 | 111.1 | 112.6 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 301 | S | 24.8 | Very low | 23 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -48.2 | 167.5 | 156.3 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 302 | P | 28.9 | Very low | 23.1 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | cis | -150.9 | 161.6 | 34.1 | 37.6 | -13.9 | 0 | 0 | 0 | 119.8 | ||||
| 303 | Q | 22 | Very low | 23 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | 14.7 | 135.4 | 139.7 | -60.8 | 174.7 | -38.6 | 0 | 0 | 120.9 | ||||
| 304 | E | 23.7 | Very low | 23 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | -169.7 | 159.5 | 108.2 | -101.9 | -178.2 | -169.9 | 0 | 0 | 113.3 | |||||
| 305 | H | 22.1 | Very low | 23.1 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -63.7 | 157.8 | -163.1 | -69.3 | -100.6 | 0 | 0 | 0 | 116.2 | ||||
| 306 | F | 21.4 | Very low | 23 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | -167.1 | 130.3 | 79.1 | -104 | -92.5 | 0 | 0 | 0 | 112.9 | |||||
| 307 | E | 21.5 | Very low | 23 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | 7.5 | 141.4 | 125.5 | -86.4 | 177.8 | -172.4 | 0 | 0 | 118.4 | |||||
| 308 | I | 21.2 | Very low | 23 | Very low | 139 Ų | 139 | 151.1 Ų | 151.1 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | cis | -170.2 | 138.4 | 39.8 | -100.7 | 149 | 0 | 0 | 0 | 109.5 | ||||
| 309 | S | 21.1 | Very low | 23.1 | Very low | 92 Ų | 92 | 154.6 Ų | 154.6 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | 33.2 | 156.3 | 149.5 | 70.6 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 310 | L | 22 | Very low | 23.4 | Very low | 145 Ų | 145 | 152.1 Ų | 152.1 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 82.8 | 127.8 | 158.5 | -53.2 | 174.6 | 0 | 0 | 0 | 115.1 | ||||
| 311 | D | 22 | Very low | 23.5 | Very low | 126 Ų | 126 | 154 Ų | 154 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | cis | -159.4 | 156.7 | 10.2 | -89.1 | -37.2 | 0 | 0 | 0 | 110.7 | ||||
| 312 | E | 24.2 | Very low | 23.4 | Very low | 174 Ų | 174 | 154.4 Ų | 154.4 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 60.3 | 134.3 | 142.3 | -68.4 | -175.4 | 167.2 | 0 | 0 | 124.8 | ||||
| 313 | E | 22.6 | Very low | 23.3 | Very low | 193 Ų | 193 | 155 Ų | 155 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | 98 | 127 | 156 | -62.8 | -167.1 | 172.5 | 0 | 0 | 121.9 | ||||
| 314 | S | 23 | Very low | 23.4 | Very low | 104 Ų | 104 | 151.5 Ų | 151.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -98.7 | 137.1 | -155.7 | 50.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 315 | Q | 26.4 | Very low | 23.4 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -141.6 | 130.3 | 149.7 | -75 | -168 | -8.1 | 0 | 0 | 112.2 | ||||
| 316 | F | 23.2 | Very low | 23.5 | Very low | 208 Ų | 208 | 154.2 Ų | 154.2 | 91% | 0.912 | 79% | 0.789 | S | S | * | * | trans | -69.7 | 123.3 | 179.3 | -92.4 | -104 | 0 | 0 | 0 | 112 | ||||
| 317 | N | 23.9 | Very low | 23.6 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -111.8 | 126.8 | 157.1 | -91.1 | -23.3 | 0 | 0 | 0 | 108.9 | ||||
| 318 | P | 26.4 | Very low | 23.7 | Very low | 119 Ų | 119 | 151 Ų | 151 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 124.4 | 172.1 | 31.6 | -28.6 | 0 | 0 | 0 | 109.3 | ||
| 319 | R | 22.5 | Very low | 23.7 | Very low | 238 Ų | 238 | 153.3 Ų | 153.3 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 135.7 | 173.4 | -71.7 | 177.1 | 174.2 | 170.3 | -2.4 | 110.3 | ||
| 320 | P | 26.5 | Very low | 23.9 | Very low | 124 Ų | 124 | 155.9 Ų | 155.9 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76 | 130.5 | 165 | 29.9 | -29.3 | 0 | 0 | 0 | 109.9 | S322 | P320-S322 PolarHBondContact O-N 3.27Š|
| 321 | L | 23.9 | Very low | 23.9 | Very low | 155 Ų | 155 | 157.9 Ų | 157.9 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -71.6 | 111.9 | 172.8 | -79.3 | 160 | 0 | 0 | 0 | 109.7 | ||||
| 322 | S | 23.4 | Very low | 24.1 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -81.1 | 117.6 | 167.7 | 61.6 | 0 | 0 | 0 | 0 | 110.1 | P320 | P320-S322 PolarHBondContact O-N 3.27Š| ||
| 323 | I | 27 | Very low | 24.3 | Very low | 123 Ų | 123 | 153.9 Ų | 153.9 | 63% | 0.631 | 82% | 0.821 | S | S | * | * | trans | -120 | 115.4 | 167 | -60.2 | 175.9 | 0 | 0 | 0 | 108 | ||||
| 324 | S | 23.4 | Very low | 24.3 | Very low | 100 Ų | 100 | 152 Ų | 152 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -86.1 | 126 | 178.2 | 166.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 325 | F | 24.3 | Very low | 24.3 | Very low | 208 Ų | 208 | 151.5 Ų | 151.5 | 91% | 0.912 | 82% | 0.819 | S | S | * | * | trans | -84.8 | 111.6 | 162.4 | -94.7 | -92.1 | 0 | 0 | 0 | 109.1 | ||||
| 326 | K | 23.1 | Very low | 24.2 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -96.7 | 118.6 | 160.1 | -84.1 | -172.9 | 174.2 | -176.5 | 0 | 107.9 | ||||
| 327 | G | 23.5 | Very low | 24.3 | Very low | 78 Ų | 78 | 145.3 Ų | 145.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -73.8 | 133 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 328 | E | 23.8 | Very low | 24.4 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -108.9 | 117.8 | 160.4 | -83.3 | -179.1 | 163.4 | 0 | 0 | 108 | ||||
| 329 | Q | 22.1 | Very low | 24.2 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -64.1 | 135.7 | 161.6 | -65.2 | 172.3 | -21 | 0 | 0 | 108.4 | ||||
| 330 | T | 24.3 | Very low | 24.4 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -146.4 | 142.9 | 145.4 | 37.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 331 | E | 21.8 | Very low | 24.2 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -80 | 152.6 | -162.6 | -58 | 161.4 | 145.3 | 0 | 0 | 112.6 | ||||
| 332 | S | 26.7 | Very low | 24.1 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -62.4 | 156.8 | 158.6 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 333 | P | 27.6 | Very low | 24 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | -156.7 | 160 | 97.1 | 35.7 | -15.2 | 0 | 0 | 0 | 118.4 | |||||
| 334 | N | 23.1 | Very low | 23.7 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 60.5 | 116.9 | 148.9 | -58.9 | -13.4 | 0 | 0 | 0 | 120 | ||||
| 335 | A | 23.9 | Very low | 23.6 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | 86.3 | 104.5 | 57.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 336 | A | 24.8 | Very low | 23.4 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | 87 | 140 | 125 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 337 | E | 24.9 | Very low | 23.3 | Very low | 185 Ų | 185 | 131.3 Ų | 131.3 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | 86.5 | 141.3 | 154.3 | -61.6 | -172.9 | -178.6 | 0 | 0 | 120.7 | ||||
| 338 | S | 24.7 | Very low | 23.2 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | cis | -178 | 165.1 | -22.2 | 58 | 0 | 0 | 0 | 0 | 108 | ||||
| 339 | G | 22.6 | Very low | 23.1 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | 126.5 | 109.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 340 | Y | 27.4 | Very low | 23.2 | Very low | 226 Ų | 226 | 131.2 Ų | 131.2 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | cis | -155.8 | 140.3 | 45.6 | -90.3 | -93.1 | 0 | 0 | 0 | 112.2 | ||||
| 341 | S | 23 | Very low | 23.1 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | 20.6 | 148.9 | 135.6 | 61.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 342 | E | 21.6 | Very low | 23.1 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | cis | -175.8 | 152.3 | 4.1 | -110.8 | 171.3 | 176.5 | 0 | 0 | 107.8 | ||||
| 343 | S | 20.9 | Very low | 22.9 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | 33 | 142.3 | 148.8 | 64.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 344 | G | 20.4 | Very low | 22.7 | Very low | 64 Ų | 64 | 130.1 Ų | 130.1 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | cis | 152 | 144.1 | 13.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 345 | T | 20.6 | Very low | 22.7 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | trans | 67.2 | 130.5 | 152.1 | 61.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 346 | A | 20.7 | Very low | 22.8 | Very low | 93 Ų | 93 | 126.6 Ų | 126.6 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 73.4 | 151.2 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 347 | L | 20.8 | Very low | 22.6 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | cis | -178.3 | 143.4 | -23.3 | -152.1 | 104.5 | 0 | 0 | 0 | 103.7 | ||||
| 348 | E | 21.1 | Very low | 22.5 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | trans | 63.3 | 138.8 | 153.8 | -76 | 174.6 | -179.4 | 0 | 0 | 123.4 | ||||
| 349 | D | 22.1 | Very low | 22.5 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 80.3 | 100 | 143.4 | -73.8 | 0.4 | 0 | 0 | 0 | 121.3 | ||||
| 350 | M | 23.6 | Very low | 22.4 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | 161.6 | 121.7 | 97.8 | -93.1 | -163.1 | 147.6 | 0 | 0 | 114.2 | |||||
| 351 | I | 22.5 | Very low | 22.3 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | trans | 81.6 | 118.2 | 133.3 | -58 | 170.2 | 0 | 0 | 0 | 120.9 | ||||
| 352 | S | 22.6 | Very low | 22.2 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | 101.6 | 115.7 | 138.4 | 61.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 353 | N | 22.5 | Very low | 22.3 | Very low | 144 Ų | 144 | 122.9 Ų | 122.9 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | 59.2 | 134 | 138.2 | -67.2 | 16.4 | 0 | 0 | 0 | 118.9 | ||||
| 354 | D | 23.6 | Very low | 22.3 | Very low | 151 Ų | 151 | 121.2 Ų | 121.2 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | cis | -152.3 | 169.8 | 20 | -91.5 | -37.6 | 0 | 0 | 0 | 110.6 | ||||
| 355 | G | 23.2 | Very low | 22.4 | Very low | 79 Ų | 79 | 125.3 Ų | 125.3 | 81% | 0.814 | 74% | 0.737 | S | S | * | * | trans | -59.8 | -177.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 356 | A | 24.5 | Very low | 22.5 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 78% | 0.777 | 73% | 0.728 | S | S | * | * | cis | -150.6 | 146.3 | 23.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 357 | T | 21.8 | Very low | 22.6 | Very low | 143 Ų | 143 | 125.2 Ų | 125.2 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | trans | -67.9 | 122.9 | 159.1 | 41.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 358 | V | 23.2 | Very low | 22.8 | Very low | 103 Ų | 103 | 123 Ų | 123 | 62% | 0.624 | 70% | 0.702 | S | S | * | * | trans | -134.9 | 102.6 | 159 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | F360 | V358-F360 HydrophobicContact CG1-CD2 3.06Å; V358-F360 HydrophobicContact CG1-CE2 3.27Å; V358-F360 HydrophobicContact CG1-CG 4.06Å; V358-F360 HydrophobicContact CG1-CZ 4.4Å | ||
| 359 | A | 22.9 | Very low | 22.8 | Very low | 98 Ų | 98 | 120 Ų | 120 | 81% | 0.81 | 69% | 0.691 | S | S | * | * | trans | -69.8 | 129.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 360 | F | 21.8 | Very low | 22.9 | Very low | 183 Ų | 183 | 118.5 Ų | 118.5 | 80% | 0.803 | 69% | 0.691 | S | S | * | * | trans | -129 | 136.4 | 155.1 | -91.3 | -66.9 | 0 | 0 | 0 | 109.9 | V358 | V358-F360 HydrophobicContact CG1-CD2 3.06Å; V358-F360 HydrophobicContact CG1-CE2 3.27Å; V358-F360 HydrophobicContact CG1-CG 4.06Å; V358-F360 HydrophobicContact CG1-CZ 4.4Å | ||
| 361 | P | 24 | Very low | 22.8 | Very low | 94 Ų | 94 | 117.1 Ų | 117.1 | 61% | 0.61 | 69% | 0.691 | S | S | * | * | trans | -83.3 | 156.7 | -178.9 | 35.4 | -28.4 | 0 | 0 | 0 | 110.9 | H363 | P361-H363 PolarHBondContact O-N 3.48Å; P361-H363 VanDerWaalsContact O-N 3.09Å | ||
| 362 | L | 22.5 | Very low | 22.9 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 48% | 0.482 | 69% | 0.692 | S | S | . | * | trans | -65.8 | 100.4 | 174.2 | -73.4 | 154 | 0 | 0 | 0 | 110.5 | T136 | T136-L362 HydrophobicContact CG2-CD1 4.12Å; T136-L362 HydrophobicContact CG2-CD2 4.11Å | ||
| 363 | H | 23.2 | Very low | 23 | Very low | 157 Ų | 157 | 114.1 Ų | 114.1 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -83.2 | 116.6 | 160.3 | -87.5 | -70.6 | 0 | 0 | 0 | 109.9 | P361 | P361-H363 PolarHBondContact O-N 3.48Å; P361-H363 VanDerWaalsContact O-N 3.09Å | ||
| 364 | S | 20.4 | Very low | 23.1 | Very low | 84 Ų | 84 | 114.7 Ų | 114.7 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | trans | -117.2 | 128.6 | 146.7 | 42.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 365 | D | 23.3 | Very low | 23 | Very low | 150 Ų | 150 | 112.3 Ų | 112.3 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 67.1 | 89.3 | -178.1 | -56.6 | -21.2 | 0 | 0 | 0 | 114.8 | ||
| 366 | E | 22.3 | Very low | 23 | Very low | 147 Ų | 147 | 116.4 Ų | 116.4 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | 178.6 | 128.2 | 128.3 | -98.8 | 172.7 | -174.7 | 0 | 0 | 109.6 | |||||
| 367 | L | 23.4 | Very low | 22.9 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 45% | 0.45 | 70% | 0.7 | S | S | . | * | trans | 57.2 | 106.4 | 139.5 | -66.8 | 160.2 | 0 | 0 | 0 | 119 | W600 | L367-W600 HydrophobicContact CD1-CH2 3.79Å; L367-W600 HydrophobicContact CD1-CZ2 3.49Å; L367-W600 VanDerWaalsContact CD1-CZ2 3.49Å; L367-W600 HydrophobicContact CD2-CH2 3.34Å; L367-W600 HydrophobicContact CD2-CZ2 3.61Å; L367-W600 HydrophobicContact CD2-CZ3 4.46Å; L367-W600 HydrophobicContact CG-CH2 4.2Å; L367-W600 HydrophobicContact CG-CZ2 4.15Å | ||
| 368 | L | 24 | Very low | 22.9 | Very low | 93 Ų | 93 | 120.6 Ų | 120.6 | 49% | 0.487 | 70% | 0.7 | S | S | . | * | 100.7 | 126.6 | 97.3 | -159.2 | -110.7 | 0 | 0 | 0 | 119.2 | S370 R678 | L368-S370 PolarHBondContact O-N 3.18Å; L368-S370 VanDerWaalsContact O-N 3.17Å; L368-R678 VanDerWaalsContact CD2-NE 3.34Å | |||
| 369 | D | 21.8 | Very low | 22.9 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 50% | 0.497 | 70% | 0.703 | S | S | . | * | trans | -23.6 | 108.1 | 163.5 | -81.5 | -52.1 | 0 | 0 | 0 | 113.7 | R977 | D369-R977 IonicContact OD1-CZ 3.96Å; D369-R977 IonicContact OD1-NH2 2.94Å; D369-R977 PolarHBondContact OD1-NH2 3.31Å; D369-R977 IonicContact OD2-NH2 3.12Å; D369-R977 PolarHBondContact OD2-NH2 3.34Å; D369-R977 VanDerWaalsContact OD2-NH2 3.07Å | ||
| 370 | S | 23.2 | Very low | 22.8 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | trans | -79.4 | 109.3 | 151.6 | 57.3 | 0 | 0 | 0 | 0 | 108 | L368 | L368-S370 PolarHBondContact O-N 3.18Å; L368-S370 VanDerWaalsContact O-N 3.17Å | ||
| 371 | V | 22.7 | Very low | 22.8 | Very low | 132 Ų | 132 | 120.8 Ų | 120.8 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | trans | -91.6 | 108.5 | 141.7 | 179.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 372 | S | 23.9 | Very low | 22.7 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | trans | -65.7 | 140.7 | 168.4 | 48.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 373 | G | 24.6 | Very low | 22.7 | Very low | 64 Ų | 64 | 127.4 Ų | 127.4 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | trans | 88.7 | 121.8 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 374 | D | 24 | Very low | 22.7 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | cis | -147.4 | 117.4 | 49.9 | -73.2 | -31.3 | 0 | 0 | 0 | 109.9 | ||||
| 375 | S | 22.8 | Very low | 22.7 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | 69.2 | 94.3 | 91.7 | 78.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 376 | D | 23.1 | Very low | 22.6 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 89% | 0.888 | 74% | 0.74 | S | S | * | * | trans | -155.9 | 86.5 | 142.8 | -92.9 | -25.1 | 0 | 0 | 0 | 107.9 | ||||
| 377 | E | 22.8 | Very low | 22.6 | Very low | 196 Ų | 196 | 123.1 Ų | 123.1 | 92% | 0.916 | 74% | 0.743 | S | S | * | * | 179.2 | 128.5 | 112.8 | -94.2 | -168.9 | 172.4 | 0 | 0 | 111 | |||||
| 378 | C | 22.2 | Very low | 22.5 | Very low | 129 Ų | 129 | 126 Ų | 126 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -74.9 | 140.6 | -177.7 | -73.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 379 | S | 21.7 | Very low | 22.5 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -57.4 | 139.9 | 152.1 | 53 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 380 | F | 21.1 | Very low | 22.6 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 160.5 | 131.7 | 139.2 | -99.8 | -79.6 | 0 | 0 | 0 | 106.1 | ||||
| 381 | S | 21.1 | Very low | 22.6 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | cis | -163.6 | 148.2 | 38.5 | 49.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 382 | T | 22.8 | Very low | 22.5 | Very low | 135 Ų | 135 | 141 Ų | 141 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | trans | -55.1 | 127.9 | 153 | 43.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 383 | Q | 22.6 | Very low | 22.4 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -113.6 | 105.9 | 145 | -78.4 | -170.3 | 1.9 | 0 | 0 | 108.9 | ||||
| 384 | S | 22.9 | Very low | 22.3 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -88.8 | 125.9 | 150.2 | 150.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 385 | A | 20.8 | Very low | 22.2 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -161.6 | 92.5 | 146.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 386 | N | 21.4 | Very low | 22.5 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | 29.9 | 116.5 | 131.9 | -75.9 | -24.1 | 0 | 0 | 0 | 119.6 | ||||
| 387 | A | 22.5 | Very low | 22.4 | Very low | 90 Ų | 90 | 145 Ų | 145 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -154.3 | 98.8 | 134.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 388 | N | 21 | Very low | 22.4 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | 61 | 102.5 | 125.4 | -70.7 | -32.4 | 0 | 0 | 0 | 120.6 | |||||
| 389 | R | 24.3 | Very low | 22.5 | Very low | 218 Ų | 218 | 141.4 Ų | 141.4 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | 155.8 | 105.8 | 107.8 | -87.7 | 166.7 | -179.6 | -165.3 | 1.3 | 110 | |||||
| 390 | R | 23.2 | Very low | 22.5 | Very low | 209 Ų | 209 | 143.7 Ų | 143.7 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | 75.9 | 132.9 | 93.1 | -79.5 | -174.8 | -173.6 | -176 | 1.5 | 112.7 | |||||
| 391 | R | 23.1 | Very low | 22.5 | Very low | 212 Ų | 212 | 142 Ų | 142 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | cis | 178.9 | 156.5 | -3.3 | -131.2 | -178.1 | -167.2 | -175.8 | 0.2 | 108.5 | ||||
| 392 | S | 21.2 | Very low | 22.6 | Very low | 100 Ų | 100 | 143 Ų | 143 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | 76.7 | 137.3 | 143.5 | -110.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 393 | E | 22.2 | Very low | 22.5 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | cis | -153.1 | 145.3 | 19.1 | -71.9 | -176.3 | 157.7 | 0 | 0 | 113.3 | ||||
| 394 | T | 21.4 | Very low | 22.5 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 62.1 | 119.4 | 139.8 | 58.1 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 395 | L | 21.9 | Very low | 22.4 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -26.9 | 175.8 | 140.3 | -73.6 | 151.2 | 0 | 0 | 0 | 117.1 | ||||
| 396 | P | 28.9 | Very low | 22.5 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | cis | -147.7 | -167.5 | 16 | 25.4 | 4.1 | 0 | 0 | 0 | 117.3 | ||||
| 397 | S | 22.2 | Very low | 22.5 | Very low | 100 Ų | 100 | 150 Ų | 150 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 165.8 | -176.9 | 56 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 398 | L | 21.1 | Very low | 22.6 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 92 | 109.5 | 143.9 | -79.5 | 154.3 | 0 | 0 | 0 | 122.3 | ||||
| 399 | S | 25 | Very low | 22.7 | Very low | 92 Ų | 92 | 149.1 Ų | 149.1 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | 29.3 | 121.7 | 140.3 | 61.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 400 | L | 22.5 | Very low | 22.7 | Very low | 147 Ų | 147 | 146 Ų | 146 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | 161.1 | 133.8 | 110.6 | -98.8 | 150.1 | 0 | 0 | 0 | 113.2 | |||||
| 401 | E | 21.1 | Very low | 22.8 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 55.2 | 126.5 | 146.4 | -79.7 | 174.4 | -163.4 | 0 | 0 | 126.3 | ||||
| 402 | T | 22.1 | Very low | 22.9 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | trans | 69.1 | 125.4 | 137.8 | 60.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 403 | N | 21.2 | Very low | 23.2 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | 68.1 | 120.1 | 149.5 | -59.7 | -12.5 | 0 | 0 | 0 | 119.8 | ||||
| 404 | F | 21.7 | Very low | 23.4 | Very low | 208 Ų | 208 | 140.2 Ų | 140.2 | 91% | 0.912 | 78% | 0.778 | S | S | * | * | -179 | 133.4 | 113.8 | -101.9 | -76.3 | 0 | 0 | 0 | 111.5 | |||||
| 405 | E | 22.1 | Very low | 23.8 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -67.1 | 150.1 | 170.3 | -62.6 | 168.7 | 147.2 | 0 | 0 | 112.4 | ||||
| 406 | F | 22.9 | Very low | 24.3 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | 176.1 | 134.8 | 112.7 | -116.4 | -115.7 | 0 | 0 | 0 | 114.9 | |||||
| 407 | E | 21.4 | Very low | 24.5 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | trans | 59.1 | 106.7 | 141.3 | -76 | -179 | 172.2 | 0 | 0 | 125.2 | ||||
| 408 | S | 25.1 | Very low | 25.4 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | 29.9 | 124.7 | 124.9 | 63.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 409 | S | 22.8 | Very low | 26.3 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | -164 | 120.4 | 123.6 | 60.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 410 | N | 23.9 | Very low | 27.4 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | 42.2 | 100.1 | 144.7 | -62.6 | -16.6 | 0 | 0 | 0 | 120.5 | ||||
| 411 | F | 25.7 | Very low | 28.9 | Very low | 215 Ų | 215 | 132.1 Ų | 132.1 | 94% | 0.943 | 71% | 0.709 | S | S | * | * | trans | -145.6 | 125 | 131 | -114.1 | -87.5 | 0 | 0 | 0 | 109.2 | G413 | F411-G413 PolarHBondContact O-N 3.37Š| ||
| 412 | A | 24.1 | Very low | 30.7 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 91% | 0.909 | 71% | 0.705 | S | S | * | * | trans | -69 | 117.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 413 | G | 27.9 | Very low | 32.5 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | 174.1 | 54.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F411 C415 | F411-G413 PolarHBondContact O-N 3.37Å; G413-C415 PolarHBondContact O-N 3.31Å | ||
| 414 | Q | 27.1 | Very low | 34.9 | Very low | 171 Ų | 171 | 127.1 Ų | 127.1 | 80% | 0.799 | 67% | 0.672 | S | S | * | * | trans | -77.3 | 102.5 | 177.5 | -77.8 | -176.7 | -6.5 | 0 | 0 | 110.8 | ||||
| 415 | C | 28.6 | Very low | 37.1 | Very low | 70 Ų | 70 | 118.1 Ų | 118.1 | 47% | 0.473 | 63% | 0.633 | S | S | . | * | trans | -148.6 | 135.7 | 141.5 | -107.8 | 0 | 0 | 0 | 0 | 106.4 | G413 | G413-C415 PolarHBondContact O-N 3.31Š| ||
| 416 | W | 33.4 | Very low | 39.3 | Very low | 146 Ų | 146 | 112.7 Ų | 112.7 | 55% | 0.553 | 61% | 0.607 | S | S | * | * | trans | 92.5 | 77.5 | -170.8 | -68.7 | 70.5 | 0 | 0 | 0 | 116.3 | ||||
| 417 | L | 33.7 | Very low | 41.5 | Very low | 107 Ų | 107 | 110.2 Ų | 110.2 | 56% | 0.56 | 60% | 0.6 | S | S | * | * | trans | -108.2 | 118.8 | 149.2 | -92.6 | 142.9 | 0 | 0 | 0 | 107 | N419 K420 | L417-N419 PolarHBondContact O-N 3.49Å; L417-N419 VanDerWaalsContact O-N 3.12Å; L417-K420 PolarHBondContact O-N 3.07Å | ||
| 418 | P | 39.8 | Very low | 43.7 | Very low | 95 Ų | 95 | 103 Ų | 103 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -27.5 | -175.9 | 18.2 | -28.9 | 0 | 0 | 0 | 113.5 | K420 A421 | P418-K420 VanDerWaalsContact C-N 3.29Å; P418-K420 PolarHBondContact O-N 3.28Å; P418-A421 WeakPolarHBondContact O-CB 3.32Å; P418-A421 PolarHBondContact O-N 3.06Å |
| 419 | N | 39.2 | Very low | 45.7 | Very low | 125 Ų | 125 | 98.2 Ų | 98.2 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72.5 | -13.8 | -178 | -62.2 | 1.5 | 0 | 0 | 0 | 114.7 | L417 | L417-N419 PolarHBondContact O-N 3.49Å; L417-N419 VanDerWaalsContact O-N 3.12Å |
| 420 | K | 48.3 | Very low | 47.9 | Very low | 148 Ų | 148 | 98.4 Ų | 98.4 | 64% | 0.643 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -89.1 | -15.9 | 172.9 | -81 | -171.2 | 174 | -174.8 | 0 | 113.4 | L417 P418 W424 | L417-K420 PolarHBondContact O-N 3.07Å; P418-K420 VanDerWaalsContact C-N 3.29Å; P418-K420 PolarHBondContact O-N 3.28Å; K420-W424 WeakPolarHBondContact O-CB 3.45Å; K420-W424 PolarHBondContact O-N 3.27Å; K420-W424 VanDerWaalsContact O-N 3.08Å |
| 421 | A | 55.2 | Low | 49.8 | Very low | 46 Ų | 46 | 95.2 Ų | 95.2 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.5 | -41.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | P418 W424 I425 | P418-A421 WeakPolarHBondContact O-CB 3.32Å; P418-A421 PolarHBondContact O-N 3.06Å; A421-W424 PolarHBondContact O-N 3.47Å; A421-I425 WeakPolarHBondContact O-CB 3.34Å; A421-I425 WeakPolarHBondContact O-CG1 3.31Å; A421-I425 PolarHBondContact O-N 3.33Å |
| 422 | E | 57.8 | Low | 51.6 | Low | 145 Ų | 145 | 85.2 Ų | 85.2 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.6 | -46.1 | 176.3 | -70.7 | -178.1 | 167.9 | 0 | 0 | 111.9 | W424 I425 Q426 | E422-W424 VanDerWaalsContact C-N 3.32Å; E422-W424 PolarHBondContact O-N 3.25Å; E422-I425 PolarHBondContact O-N 2.94Å; E422-Q426 VanDerWaalsContact O-CB 3.32Å; E422-Q426 WeakPolarHBondContact O-CB 3.47Å; E422-Q426 PolarHBondContact O-N 3.42Å |
| 423 | E | 60.1 | Low | 53.5 | Low | 132 Ų | 132 | 82.8 Ų | 82.8 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60 | -40 | 175.1 | -73.6 | -177 | 162.2 | 0 | 0 | 112.4 | M427 | E423-M427 PolarHBondContact O-N 3.43Å |
| 424 | W | 72.4 | Confident | 55.1 | Low | 35 Ų | 35 | 84.1 Ų | 84.1 | 13% | 0.133 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.9 | -46 | 176.5 | 176.7 | 81.2 | 0 | 0 | 0 | 112.4 | K420 A421 E422 Q426 M427 E428 L445 R448 I493 | K420-W424 WeakPolarHBondContact O-CB 3.45Å; K420-W424 PolarHBondContact O-N 3.27Å; K420-W424 VanDerWaalsContact O-N 3.08Å; A421-W424 PolarHBondContact O-N 3.47Å; E422-W424 VanDerWaalsContact C-N 3.32Å; E422-W424 PolarHBondContact O-N 3.25Å; W424-Q426 PolarHBondContact O-N 3.22Å; W424-M427 PolarHBondContact O-N 3.32Å; W424-E428 HydrophobicContact CZ2-CB 4.48Å; W424-E428 HydrophobicContact CZ2-CG 4.27Å; W424-E428 WeakPolarHBondContact O-CB 3.11Å; W424-E428 PolarHBondContact O-N 3.39Å; W424-L445 HydrophobicContact CZ3-CD1 4.31Å; W424-R448 HydrophobicContact CE3-CG 4.14Å; W424-R448 HydrophobicContact CH2-CB 3.54Å; W424-R448 HydrophobicContact CH2-CG 3.77Å; W424-R448 HydrophobicContact CZ2-CB 4.24Å; W424-R448 HydrophobicContact CZ2-CG 4.18Å; W424-R448 HydrophobicContact CZ3-CB 3.79Å; W424-R448 HydrophobicContact CZ3-CG 3.75Å; W424-I493 HydrophobicContact CZ2-CD1 4.15Å; W424-I493 HydrophobicContact CZ2-CG1 4.18Å |
| 425 | I | 67.6 | Low | 57 | Low | 19 Ų | 19 | 77.4 Ų | 77.4 | 10% | 0.097 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.5 | -41.9 | 176.8 | -69.6 | 166.4 | 0 | 0 | 0 | 109.7 | F276 A421 E422 E428 F429 L445 | F276-I425 HydrophobicContact CD1-CG2 4Å; F276-I425 HydrophobicContact CE1-CG2 4.04Å; A421-I425 WeakPolarHBondContact O-CB 3.34Å; A421-I425 WeakPolarHBondContact O-CG1 3.31Å; A421-I425 PolarHBondContact O-N 3.33Å; E422-I425 PolarHBondContact O-N 2.94Å; I425-E428 PolarHBondContact O-N 3.05Å; I425-F429 VanDerWaalsContact O-CB 3.25Å; I425-F429 WeakPolarHBondContact O-CB 3.26Å; I425-F429 PolarHBondContact O-N 3.21Å; I425-L445 HydrophobicContact CD1-CD1 4.23Å; I425-L445 HydrophobicContact CG1-CD1 3.88Å; I425-L445 HydrophobicContact CG2-CD1 4.41Å |
| 426 | Q | 67.4 | Low | 58.9 | Low | 48 Ų | 48 | 75.9 Ų | 75.9 | 22% | 0.224 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68 | -44.5 | -179.6 | -159.1 | 164.4 | -11.7 | 0 | 0 | 111.8 | S278 E422 W424 E428 F429 E430 | S278-Q426 PolarHBondContact OG-NE2 2.98Å; E422-Q426 VanDerWaalsContact O-CB 3.32Å; E422-Q426 WeakPolarHBondContact O-CB 3.47Å; E422-Q426 PolarHBondContact O-N 3.42Å; W424-Q426 PolarHBondContact O-N 3.22Å; Q426-E428 PolarHBondContact O-N 3.37Å; Q426-F429 PolarHBondContact O-N 2.87Å; Q426-E430 WeakPolarHBondContact O-CG 3.34Å; Q426-E430 PolarHBondContact O-N 2.69Å |
| 427 | M | 69.6 | Low | 61.1 | Low | 111 Ų | 111 | 69.1 Ų | 69.1 | 55% | 0.547 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 173 | -116.4 | -164.6 | -45.1 | 0 | 0 | 112.9 | E423 W424 F429 E430 R431 | E423-M427 PolarHBondContact O-N 3.43Å; W424-M427 PolarHBondContact O-N 3.32Å; M427-F429 VanDerWaalsContact C-N 3.34Å; M427-E430 WeakPolarHBondContact O-CB 3.19Å; M427-E430 PolarHBondContact O-N 3.38Å; M427-R431 PolarHBondContact O-N 3.34Å; M427-R431 VanDerWaalsContact O-N 3.07Å |
| 428 | E | 67 | Low | 63.4 | Low | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74.2 | -30.3 | -177.1 | -159.9 | 62.7 | -166.3 | 0 | 0 | 111.2 | W424 I425 Q426 R431 C432 F441 R444 | W424-E428 HydrophobicContact CZ2-CB 4.48Å; W424-E428 HydrophobicContact CZ2-CG 4.27Å; W424-E428 WeakPolarHBondContact O-CB 3.11Å; W424-E428 PolarHBondContact O-N 3.39Å; I425-E428 PolarHBondContact O-N 3.05Å; Q426-E428 PolarHBondContact O-N 3.37Å; E428-R431 WeakPolarHBondContact O-CB 3.46Å; E428-R431 PolarHBondContact O-N 2.82Å; E428-R431 WeakPolarHBondContact OE2-CD 3.45Å; E428-R431 IonicContact OE2-CZ 3.55Å; E428-R431 IonicContact OE2-NH1 2.92Å; E428-R431 PolarHBondContact OE2-NH1 3.48Å; E428-C432 PolarHBondContact O-N 3.29Å; E428-C432 VanDerWaalsContact O-N 3.14Å; E428-F441 HydrophobicContact CB-CD2 4.38Å; E428-F441 HydrophobicContact CB-CE2 4.14Å; E428-F441 HydrophobicContact CG-CD2 4.11Å; E428-F441 HydrophobicContact CG-CE2 4.32Å; E428-R444 WeakPolarHBondContact OE1-CD 3.49Å; E428-R444 IonicContact OE1-CZ 3.32Å; E428-R444 IonicContact OE1-NE 3.76Å; E428-R444 IonicContact OE1-NH1 3.88Å; E428-R444 PolarHBondContact OE1-NH1 3.2Å |
| 429 | F | 68.5 | Low | 65.5 | Low | 6 Ų | 6 | 59.9 Ų | 59.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69 | -38.8 | 170.4 | -168.6 | -93 | 0 | 0 | 0 | 111.9 | L270 S273 F276 I425 Q426 M427 R431 C432 L433 F441 | L270-F429 HydrophobicContact CD1-CE2 4.28Å; L270-F429 HydrophobicContact CD1-CZ 4.05Å; S273-F429 WeakPolarHBondContact OG-CE1 3.39Å; S273-F429 WeakPolarHBondContact OG-CZ 3.35Å; F276-F429 HydrophobicContact CB-CD1 4.03Å; F276-F429 HydrophobicContact CB-CE1 4.35Å; F276-F429 HydrophobicContact CB-CG 4.18Å; F276-F429 HydrophobicContact CD2-CD1 4.44Å; F276-F429 AromaticContact CD2-CD2 3.8Å; F276-F429 HydrophobicContact CD2-CD2 3.8Å; F276-F429 HydrophobicContact CD2-CE1 4.29Å; F276-F429 AromaticContact CD2-CE2 3.61Å; F276-F429 HydrophobicContact CD2-CE2 3.61Å; F276-F429 HydrophobicContact CD2-CG 4.23Å; F276-F429 AromaticContact CD2-CZ 3.88Å; F276-F429 HydrophobicContact CD2-CZ 3.88Å; F276-F429 HydrophobicContact CE2-CD2 4.17Å; F276-F429 AromaticContact CE2-CE2 3.91Å; F276-F429 HydrophobicContact CE2-CE2 3.91Å; F276-F429 HydrophobicContact CG-CD1 4.47Å; F276-F429 HydrophobicContact CG-CD2 4.19Å; F276-F429 HydrophobicContact CG-CE2 4.4Å; F276-F429 HydrophobicContact CG-CG 4.23Å; I425-F429 VanDerWaalsContact O-CB 3.25Å; I425-F429 WeakPolarHBondContact O-CB 3.26Å; I425-F429 PolarHBondContact O-N 3.21Å; Q426-F429 PolarHBondContact O-N 2.87Å; M427-F429 VanDerWaalsContact C-N 3.34Å; F429-R431 VanDerWaalsContact C-N 3.26Å; F429-R431 PolarHBondContact O-N 3.46Å; F429-C432 VanDerWaalsContact O-CB 3.32Å; F429-C432 WeakPolarHBondContact O-CB 3.39Å; F429-C432 PolarHBondContact O-N 3.02Å; F429-C432 VanDerWaalsContact O-N 3.14Å; F429-L433 HydrophobicContact CD1-CD1 3.94Å; F429-L433 HydrophobicContact CD1-CG 4.39Å; F429-L433 HydrophobicContact CE1-CD1 3.86Å; F429-L433 HydrophobicContact CE1-CG 4.14Å; F429-L433 PolarHBondContact O-N 3.21Å; F429-F441 HydrophobicContact CB-CE2 3.87Å; F429-F441 HydrophobicContact CB-CZ 4.01Å; F429-F441 HydrophobicContact CD2-CD1 4.33Å; F429-F441 AromaticContact CD2-CE1 3.75Å; F429-F441 HydrophobicContact CD2-CE1 3.75Å; F429-F441 HydrophobicContact CD2-CE2 4.14Å; F429-F441 AromaticContact CD2-CZ 3.65Å; F429-F441 HydrophobicContact CD2-CZ 3.65Å; F429-F441 HydrophobicContact CE2-CE1 4.39Å; F429-F441 HydrophobicContact CG-CZ 4.34Å |
| 430 | E | 68 | Low | 67.6 | Low | 113 Ų | 113 | 55.6 Ų | 55.6 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61 | -33.3 | 171.4 | -76.2 | 176.4 | -178.8 | 0 | 0 | 112.4 | Q426 M427 L433 S434 | Q426-E430 WeakPolarHBondContact O-CG 3.34Å; Q426-E430 PolarHBondContact O-N 2.69Å; M427-E430 WeakPolarHBondContact O-CB 3.19Å; M427-E430 PolarHBondContact O-N 3.38Å; E430-L433 WeakPolarHBondContact O-CB 3.45Å; E430-L433 PolarHBondContact O-N 3.44Å; E430-S434 PolarHBondContact O-N 3.41Å; E430-S434 VanDerWaalsContact O-N 3.11Å |
| 431 | R | 63.9 | Low | 69.3 | Low | 88 Ų | 88 | 48.7 Ų | 48.7 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 171.1 | -80.4 | 176.5 | 170.3 | 170.6 | -8.5 | 113.2 | M427 E428 F429 L433 S434 G435 | M427-R431 PolarHBondContact O-N 3.34Å; M427-R431 VanDerWaalsContact O-N 3.07Å; E428-R431 WeakPolarHBondContact O-CB 3.46Å; E428-R431 PolarHBondContact O-N 2.82Å; E428-R431 WeakPolarHBondContact OE2-CD 3.45Å; E428-R431 IonicContact OE2-CZ 3.55Å; E428-R431 IonicContact OE2-NH1 2.92Å; E428-R431 PolarHBondContact OE2-NH1 3.48Å; F429-R431 VanDerWaalsContact C-N 3.26Å; F429-R431 PolarHBondContact O-N 3.46Å; R431-L433 VanDerWaalsContact C-N 3.25Å; R431-L433 PolarHBondContact O-N 2.74Å; R431-S434 WeakPolarHBondContact CA-OG 3.31Å; R431-S434 WeakPolarHBondContact O-CA 3.46Å; R431-S434 WeakPolarHBondContact O-CB 3.49Å; R431-S434 PolarHBondContact O-N 2.82Å; R431-S434 PolarHBondContact O-OG 3.36Å; R431-G435 PolarHBondContact O-N 2.81Å |
| 432 | C | 63.2 | Low | 70.8 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.3 | -41.4 | 171.6 | -166.3 | 0 | 0 | 0 | 0 | 111.2 | E428 F429 S434 G435 F441 | E428-C432 PolarHBondContact O-N 3.29Å; E428-C432 VanDerWaalsContact O-N 3.14Å; F429-C432 VanDerWaalsContact O-CB 3.32Å; F429-C432 WeakPolarHBondContact O-CB 3.39Å; F429-C432 PolarHBondContact O-N 3.02Å; F429-C432 VanDerWaalsContact O-N 3.14Å; C432-S434 PolarHBondContact O-N 3.04Å; C432-G435 PolarHBondContact O-N 2.81Å; C432-F441 HydrophobicContact CB-CB 4.08Å; C432-F441 HydrophobicContact CB-CD2 4.41Å; C432-F441 HydrophobicContact CB-CG 4.28Å |
| 433 | L | 65 | Low | 72.2 | Confident | 58 Ų | 58 | 39.6 Ų | 39.6 | 30% | 0.304 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.5 | -24.9 | 172.9 | -68.6 | 164.6 | 0 | 0 | 0 | 113.2 | L270 F429 E430 R431 | L270-L433 HydrophobicContact CB-CD2 3.98Å; F429-L433 HydrophobicContact CD1-CD1 3.94Å; F429-L433 HydrophobicContact CD1-CG 4.39Å; F429-L433 HydrophobicContact CE1-CD1 3.86Å; F429-L433 HydrophobicContact CE1-CG 4.14Å; F429-L433 PolarHBondContact O-N 3.21Å; E430-L433 WeakPolarHBondContact O-CB 3.45Å; E430-L433 PolarHBondContact O-N 3.44Å; R431-L433 VanDerWaalsContact C-N 3.25Å; R431-L433 PolarHBondContact O-N 2.74Å |
| 434 | S | 61.3 | Low | 73.4 | Confident | 95 Ų | 95 | 33.5 Ų | 33.5 | 66% | 0.664 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -2.6 | -177.3 | 78.9 | 0 | 0 | 0 | 0 | 115.7 | E430 R431 C432 | E430-S434 PolarHBondContact O-N 3.41Å; E430-S434 VanDerWaalsContact O-N 3.11Å; R431-S434 WeakPolarHBondContact CA-OG 3.31Å; R431-S434 WeakPolarHBondContact O-CA 3.46Å; R431-S434 WeakPolarHBondContact O-CB 3.49Å; R431-S434 PolarHBondContact O-N 2.82Å; R431-S434 PolarHBondContact O-OG 3.36Å; C432-S434 PolarHBondContact O-N 3.04Å |
| 435 | G | 66.3 | Low | 74.1 | Confident | 31 Ų | 31 | 31.8 Ų | 31.8 | 32% | 0.32 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 133.7 | 3.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | R267 R431 C432 | R267-G435 VanDerWaalsContact CB-O 3.26Å; R267-G435 WeakPolarHBondContact CB-O 3.31Å; R267-G435 WeakPolarHBondContact CG-O 3.37Å; R431-G435 PolarHBondContact O-N 2.81Å; C432-G435 PolarHBondContact O-N 2.81Å |
| 436 | E | 70 | Confident | 75 | Confident | 37 Ų | 37 | 30.9 Ų | 30.9 | 17% | 0.173 | 16% | 0.163 | C | C | . | . | trans | -80.4 | 169 | 170.8 | -65.9 | -171.5 | 146.6 | 0 | 0 | 111.9 | G268 R444 | G268-E436 PolarHBondContact N-O 3.48Å; E436-R444 IonicContact OE1-CZ 3.73Å; E436-R444 IonicContact OE1-NH1 3.26Å; E436-R444 PolarHBondContact OE1-NH1 3.42Å; E436-R444 IonicContact OE1-NH2 2.85Å; E436-R444 IonicContact OE2-NH1 3.98Å; E436-R444 PolarHBondContact OE2-NH1 3.07Å | ||
| 437 | S | 79 | Confident | 76 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 4% | 0.035 | 15% | 0.153 | C | C | . | . | trans | -86.7 | 152.7 | 177.6 | 72.5 | 0 | 0 | 0 | 0 | 111.4 | L439 Q440 F441 | S437-L439 PolarHBondContact O-N 2.97Å; S437-Q440 PolarHBondContact O-N 3.44Å; S437-Q440 WeakPolarHBondContact OG-CB 3.41Å; S437-Q440 PolarHBondContact OG-N 2.88Å; S437-F441 PolarHBondContact O-N 3.44Å | ||
| 438 | L | 81.3 | Confident | 76.6 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.3 | -32 | 176.2 | -165.8 | 74.8 | 0 | 0 | 0 | 111.6 | F227 L231 W264 L270 C442 | F227-L438 HydrophobicContact CB-CD2 3.91Å; F227-L438 HydrophobicContact CD2-CD2 4.2Å; F227-L438 HydrophobicContact CG-CD2 4.42Å; L231-L438 HydrophobicContact CD1-CD1 4.34Å; W264-L438 HydrophobicContact CD2-CD2 3.82Å; W264-L438 HydrophobicContact CE3-CB 4.08Å; W264-L438 HydrophobicContact CE3-CD2 3.66Å; W264-L438 HydrophobicContact CE3-CG 3.89Å; W264-L438 HydrophobicContact CG-CD2 4.49Å; W264-L438 HydrophobicContact CH2-CD2 4.05Å; W264-L438 HydrophobicContact CZ2-CD2 4.2Å; W264-L438 HydrophobicContact CZ3-CD2 3.77Å; W264-L438 HydrophobicContact CZ3-CG 3.93Å; W264-L438 PolarHBondContact O-N 3.4Å; L270-L438 HydrophobicContact CD1-CD1 3.41Å; L270-L438 VanDerWaalsContact CD1-CD1 3.41Å; L270-L438 HydrophobicContact CG-CD1 4.37Å; L438-C442 WeakPolarHBondContact O-CB 3.49Å; L438-C442 PolarHBondContact O-N 3.27Å |
| 439 | L | 83.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 177.9 | -160.5 | 84.1 | 0 | 0 | 0 | 112 | F253 W264 S437 C442 A443 I480 E484 L487 | F253-L439 HydrophobicContact CE1-CD1 3.74Å; F253-L439 HydrophobicContact CZ-CD1 3.69Å; W264-L439 HydrophobicContact CB-CD1 4.5Å; W264-L439 HydrophobicContact CE3-CD1 4.13Å; W264-L439 PolarHBondContact O-N 2.98Å; S437-L439 PolarHBondContact O-N 2.97Å; L439-C442 WeakPolarHBondContact O-CB 3.34Å; L439-C442 PolarHBondContact O-N 2.89Å; L439-A443 PolarHBondContact O-N 2.79Å; L439-I480 HydrophobicContact CD1-CG1 4.31Å; L439-I480 HydrophobicContact CD2-CG2 4.12Å; L439-I480 HydrophobicContact CG-CG2 4.12Å; L439-E484 HydrophobicContact CD2-CB 3.59Å; L439-E484 WeakPolarHBondContact CD2-OE2 3.31Å; L439-L487 HydrophobicContact CD2-CD1 3.89Å; L439-L487 HydrophobicContact CG-CD1 4.34Å |
| 440 | Q | 83.7 | Confident | 78.3 | Confident | 36 Ų | 36 | 28.6 Ų | 28.6 | 17% | 0.168 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 179.1 | -174.1 | 170.8 | -1.5 | 0 | 0 | 111.5 | S437 A443 R444 L487 | S437-Q440 PolarHBondContact O-N 3.44Å; S437-Q440 WeakPolarHBondContact OG-CB 3.41Å; S437-Q440 PolarHBondContact OG-N 2.88Å; Q440-A443 PolarHBondContact O-N 3.42Å; Q440-R444 VanDerWaalsContact NE2-NH2 3.19Å; Q440-R444 PolarHBondContact O-N 3.07Å; Q440-L487 HydrophobicContact CB-CD2 3.94Å; Q440-L487 HydrophobicContact CG-CD2 3.72Å |
| 441 | F | 84.3 | Confident | 79.3 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 172.7 | 173.9 | -102.8 | 0 | 0 | 0 | 111.8 | L231 E428 F429 C432 S437 A443 R444 L445 | L231-F441 HydrophobicContact CD1-CD1 4.2Å; L231-F441 HydrophobicContact CD1-CE1 4.22Å; E428-F441 HydrophobicContact CB-CD2 4.38Å; E428-F441 HydrophobicContact CB-CE2 4.14Å; E428-F441 HydrophobicContact CG-CD2 4.11Å; E428-F441 HydrophobicContact CG-CE2 4.32Å; F429-F441 HydrophobicContact CB-CE2 3.87Å; F429-F441 HydrophobicContact CB-CZ 4.01Å; F429-F441 HydrophobicContact CD2-CD1 4.33Å; F429-F441 AromaticContact CD2-CE1 3.75Å; F429-F441 HydrophobicContact CD2-CE1 3.75Å; F429-F441 HydrophobicContact CD2-CE2 4.14Å; F429-F441 AromaticContact CD2-CZ 3.65Å; F429-F441 HydrophobicContact CD2-CZ 3.65Å; F429-F441 HydrophobicContact CE2-CE1 4.39Å; F429-F441 HydrophobicContact CG-CZ 4.34Å; C432-F441 HydrophobicContact CB-CB 4.08Å; C432-F441 HydrophobicContact CB-CD2 4.41Å; C432-F441 HydrophobicContact CB-CG 4.28Å; S437-F441 PolarHBondContact O-N 3.44Å; F441-A443 VanDerWaalsContact C-N 3.3Å; F441-A443 PolarHBondContact O-N 3.49Å; F441-R444 PolarHBondContact O-N 3.47Å; F441-L445 HydrophobicContact CE1-CD2 4.11Å; F441-L445 HydrophobicContact CZ-CD2 4.29Å; F441-L445 WeakPolarHBondContact O-CB 3.42Å; F441-L445 PolarHBondContact O-N 3.41Å |
| 442 | C | 87.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -41.9 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | L231 W264 L438 L439 L446 | L231-C442 HydrophobicContact CD2-CB 4.06Å; W264-C442 HydrophobicContact CZ3-CB 4.11Å; L438-C442 WeakPolarHBondContact O-CB 3.49Å; L438-C442 PolarHBondContact O-N 3.27Å; L439-C442 WeakPolarHBondContact O-CB 3.34Å; L439-C442 PolarHBondContact O-N 2.89Å; C442-L446 WeakPolarHBondContact O-CB 3.45Å; C442-L446 VanDerWaalsContact O-CG 3.26Å; C442-L446 WeakPolarHBondContact O-CG 3.46Å; C442-L446 PolarHBondContact O-N 3.23Å |
| 443 | A | 87 | Confident | 81.2 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L439 Q440 F441 S447 F477 L500 | L439-A443 PolarHBondContact O-N 2.79Å; Q440-A443 PolarHBondContact O-N 3.42Å; F441-A443 VanDerWaalsContact C-N 3.3Å; F441-A443 PolarHBondContact O-N 3.49Å; A443-S447 WeakPolarHBondContact O-CB 3.47Å; A443-S447 PolarHBondContact O-N 3.44Å; A443-S447 VanDerWaalsContact O-N 3.13Å; A443-S447 PolarHBondContact O-OG 3.16Å; A443-F477 HydrophobicContact CB-CE1 3.88Å; A443-F477 HydrophobicContact CB-CZ 4.49Å; A443-F477 VanDerWaalsContact O-CZ 3.26Å; A443-F477 WeakPolarHBondContact O-CZ 3.28Å; A443-L500 HydrophobicContact CB-CD1 4.34Å |
| 444 | R | 85.9 | Confident | 81.7 | Confident | 4 Ų | 4 | 17.5 Ų | 17.5 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 178.1 | -70.3 | -177.7 | 174.1 | 150.3 | -1.3 | 112.3 | E428 E436 Q440 F441 S447 R448 P491 L492 D494 | E428-R444 WeakPolarHBondContact OE1-CD 3.49Å; E428-R444 IonicContact OE1-CZ 3.32Å; E428-R444 IonicContact OE1-NE 3.76Å; E428-R444 IonicContact OE1-NH1 3.88Å; E428-R444 PolarHBondContact OE1-NH1 3.2Å; E436-R444 IonicContact OE1-CZ 3.73Å; E436-R444 IonicContact OE1-NH1 3.26Å; E436-R444 PolarHBondContact OE1-NH1 3.42Å; E436-R444 IonicContact OE1-NH2 2.85Å; E436-R444 IonicContact OE2-NH1 3.98Å; E436-R444 PolarHBondContact OE2-NH1 3.07Å; Q440-R444 VanDerWaalsContact NE2-NH2 3.19Å; Q440-R444 PolarHBondContact O-N 3.07Å; F441-R444 PolarHBondContact O-N 3.47Å; R444-S447 WeakPolarHBondContact CA-OG 3.43Å; R444-S447 PolarHBondContact O-OG 3.17Å; R444-R448 WeakPolarHBondContact O-CB 3.42Å; R444-R448 PolarHBondContact O-N 3.45Å; R444-R448 VanDerWaalsContact O-N 3.07Å; R444-P491 PolarHBondContact NE-O 3.13Å; R444-L492 VanDerWaalsContact CD-O 3.24Å; R444-L492 WeakPolarHBondContact CD-O 3.21Å; R444-L492 WeakPolarHBondContact CG-O 2.9Å; R444-L492 PolarHBondContact NE-O 3.1Å; R444-D494 IonicContact NH2-OD1 3.32Å; R444-D494 PolarHBondContact NH2-OD1 3.42Å; R444-D494 IonicContact NH2-OD2 3.75Å |
| 445 | L | 85.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.6 | -51.3 | 177.6 | -177.8 | 66.2 | 0 | 0 | 0 | 111.8 | L231 W424 I425 F441 S447 R448 L449 | L231-L445 HydrophobicContact CD2-CD2 4.31Å; W424-L445 HydrophobicContact CZ3-CD1 4.31Å; I425-L445 HydrophobicContact CD1-CD1 4.23Å; I425-L445 HydrophobicContact CG1-CD1 3.88Å; I425-L445 HydrophobicContact CG2-CD1 4.41Å; F441-L445 HydrophobicContact CE1-CD2 4.11Å; F441-L445 HydrophobicContact CZ-CD2 4.29Å; F441-L445 WeakPolarHBondContact O-CB 3.42Å; F441-L445 PolarHBondContact O-N 3.41Å; L445-S447 PolarHBondContact O-N 3.43Å; L445-R448 PolarHBondContact O-N 3.07Å; L445-L449 HydrophobicContact CD1-CD1 3.85Å; L445-L449 HydrophobicContact CD1-CG 4.31Å; L445-L449 HydrophobicContact CG-CD1 3.87Å; L445-L449 WeakPolarHBondContact O-CB 3.45Å; L445-L449 VanDerWaalsContact O-CG 3.31Å; L445-L449 WeakPolarHBondContact O-CG 3.46Å; L445-L449 PolarHBondContact O-N 3.49Å |
| 446 | L | 87.7 | Confident | 83 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | -177.4 | -71.2 | 174.9 | 0 | 0 | 0 | 112.9 | I234 L246 C442 L449 F450 V476 F477 I480 | I234-L446 HydrophobicContact CD1-CD2 4.32Å; I234-L446 HydrophobicContact CG2-CD2 3.98Å; L246-L446 HydrophobicContact CD2-CD2 3.42Å; L246-L446 VanDerWaalsContact CD2-CD2 3.42Å; C442-L446 WeakPolarHBondContact O-CB 3.45Å; C442-L446 VanDerWaalsContact O-CG 3.26Å; C442-L446 WeakPolarHBondContact O-CG 3.46Å; C442-L446 PolarHBondContact O-N 3.23Å; L446-L449 PolarHBondContact O-N 2.96Å; L446-F450 HydrophobicContact CD2-CD2 4.13Å; L446-F450 HydrophobicContact CD2-CE2 3.97Å; L446-F450 PolarHBondContact O-N 2.85Å; L446-F450 VanDerWaalsContact O-N 3.08Å; L446-V476 HydrophobicContact CD1-CB 3.99Å; L446-V476 HydrophobicContact CD1-CG1 3.52Å; L446-V476 HydrophobicContact CD1-CG2 4.5Å; L446-F477 HydrophobicContact CB-CE2 3.84Å; L446-F477 HydrophobicContact CB-CZ 4.09Å; L446-I480 HydrophobicContact CD1-CD1 4.48Å |
| 447 | S | 87 | Confident | 83.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 178.1 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | A443 R444 L445 L451 L452 L492 L500 | A443-S447 WeakPolarHBondContact O-CB 3.47Å; A443-S447 PolarHBondContact O-N 3.44Å; A443-S447 VanDerWaalsContact O-N 3.13Å; A443-S447 PolarHBondContact O-OG 3.16Å; R444-S447 WeakPolarHBondContact CA-OG 3.43Å; R444-S447 PolarHBondContact O-OG 3.17Å; L445-S447 PolarHBondContact O-N 3.43Å; S447-L451 CarbonylContact O-C 3.5Å; S447-L451 PolarHBondContact O-N 3.49Å; S447-L452 PolarHBondContact O-N 2.99Å; S447-L492 WeakPolarHBondContact OG-CD1 3.21Å; S447-L500 WeakPolarHBondContact OG-CD2 3.36Å |
| 448 | R | 83.5 | Confident | 83.6 | Confident | 58 Ų | 58 | 28.8 Ų | 28.8 | 22% | 0.219 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.7 | -37.1 | 178 | -167.7 | 66.7 | 175.8 | 128.7 | -16.3 | 113.7 | W424 R444 L445 A453 | W424-R448 HydrophobicContact CE3-CG 4.14Å; W424-R448 HydrophobicContact CH2-CB 3.54Å; W424-R448 HydrophobicContact CH2-CG 3.77Å; W424-R448 HydrophobicContact CZ2-CB 4.24Å; W424-R448 HydrophobicContact CZ2-CG 4.18Å; W424-R448 HydrophobicContact CZ3-CB 3.79Å; W424-R448 HydrophobicContact CZ3-CG 3.75Å; R444-R448 WeakPolarHBondContact O-CB 3.42Å; R444-R448 PolarHBondContact O-N 3.45Å; R444-R448 VanDerWaalsContact O-N 3.07Å; L445-R448 PolarHBondContact O-N 3.07Å; R448-A453 PolarHBondContact NH1-O 2.8Å |
| 449 | L | 83.3 | Confident | 83.9 | Confident | 41 Ų | 41 | 30.9 Ų | 30.9 | 22% | 0.215 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -75.2 | -40.4 | -177.7 | -74.6 | 173.7 | 0 | 0 | 0 | 113.4 | I234 L445 L446 | I234-L449 HydrophobicContact CG2-CD1 4.11Å; L445-L449 HydrophobicContact CD1-CD1 3.85Å; L445-L449 HydrophobicContact CD1-CG 4.31Å; L445-L449 HydrophobicContact CG-CD1 3.87Å; L445-L449 WeakPolarHBondContact O-CB 3.45Å; L445-L449 VanDerWaalsContact O-CG 3.31Å; L445-L449 WeakPolarHBondContact O-CG 3.46Å; L445-L449 PolarHBondContact O-N 3.49Å; L446-L449 PolarHBondContact O-N 2.96Å |
| 450 | F | 87 | Confident | 84 | Confident | 21 Ų | 21 | 31 Ų | 31 | 9% | 0.092 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -123.6 | -17.9 | -166.7 | -54.6 | -65 | 0 | 0 | 0 | 115.6 | I234 L246 L446 A465 H469 A473 | I234-F450 HydrophobicContact CG2-CE2 3.68Å; I234-F450 HydrophobicContact CG2-CZ 3.98Å; L246-F450 HydrophobicContact CD1-CE2 4.05Å; L246-F450 HydrophobicContact CD1-CZ 4.24Å; L246-F450 HydrophobicContact CD2-CE2 4.23Å; L446-F450 HydrophobicContact CD2-CD2 4.13Å; L446-F450 HydrophobicContact CD2-CE2 3.97Å; L446-F450 PolarHBondContact O-N 2.85Å; L446-F450 VanDerWaalsContact O-N 3.08Å; F450-A465 HydrophobicContact CB-CB 4.39Å; F450-A465 HydrophobicContact CD1-CB 4.3Å; F450-H469 HydrophobicContact CD1-CB 3.98Å; F450-H469 HydrophobicContact CE1-CB 4.38Å; F450-A473 HydrophobicContact CB-CB 4.25Å; F450-A473 HydrophobicContact CD2-CB 4.28Å |
| 451 | L | 88.5 | Confident | 84 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -50.3 | -163.4 | -59.3 | 175.2 | 0 | 0 | 0 | 114.8 | S447 V460 K470 A473 L474 F477 L503 F506 | S447-L451 CarbonylContact O-C 3.5Å; S447-L451 PolarHBondContact O-N 3.49Å; L451-V460 PolarHBondContact O-N 2.75Å; L451-K470 HydrophobicContact CD2-CB 3.99Å; L451-K470 HydrophobicContact CD2-CG 4.06Å; L451-A473 HydrophobicContact CD1-CB 4.08Å; L451-A473 HydrophobicContact CD2-CB 4.37Å; L451-A473 HydrophobicContact CG-CB 4.28Å; L451-L474 HydrophobicContact CD1-CD2 4.23Å; L451-L474 HydrophobicContact CD2-CG 4.26Å; L451-F477 HydrophobicContact CD1-CD2 3.67Å; L451-F477 HydrophobicContact CD1-CE2 3.42Å; L451-F477 VanDerWaalsContact CD1-CE2 3.42Å; L451-F477 HydrophobicContact CD1-CZ 4.47Å; L451-L503 HydrophobicContact CB-CD2 3.7Å; L451-L503 HydrophobicContact CD1-CD2 3.54Å; L451-L503 HydrophobicContact CG-CD2 4.19Å; L451-F506 HydrophobicContact CB-CE2 3.85Å; L451-F506 HydrophobicContact CB-CZ 4.13Å; L451-F506 HydrophobicContact CD2-CE2 3.88Å; L451-F506 HydrophobicContact CD2-CZ 3.87Å; L451-F506 HydrophobicContact CG-CE2 4.41Å; L451-F506 WeakPolarHBondContact O-CZ 3.48Å |
| 452 | L | 87.2 | Confident | 84 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -117.5 | 137.4 | -169.5 | -60.4 | -178.7 | 0 | 0 | 0 | 112.7 | S447 L459 L492 L500 D502 L503 | S447-L452 PolarHBondContact O-N 2.99Å; L452-L459 HydrophobicContact CD2-CD2 3.78Å; L452-L492 HydrophobicContact CB-CD2 4.14Å; L452-L492 HydrophobicContact CD1-CD1 4.34Å; L452-L500 HydrophobicContact CD1-CD2 4.25Å; L452-D502 HydrophobicContact CD2-CB 3.95Å; L452-L503 HydrophobicContact CD1-CD2 4.13Å; L452-L503 HydrophobicContact CD1-CG 4.31Å; L452-L503 HydrophobicContact CD2-CD2 4.01Å; L452-L503 HydrophobicContact CG-CD2 3.91Å |
| 453 | A | 81.5 | Confident | 83.7 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | trans | -85.7 | -11.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R448 E458 | R448-A453 PolarHBondContact NH1-O 2.8Å; A453-E458 HydrophobicContact CB-CB 3.86Å; A453-E458 PolarHBondContact N-O 2.89Å | ||
| 454 | G | 75.3 | Confident | 83.5 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 94.8 | 6.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q498 | G454-Q498 VanDerWaalsContact C-OE1 3.26Š|
| 455 | R | 76.1 | Confident | 83.3 | Confident | 127 Ų | 127 | 46.4 Ų | 46.4 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -128.8 | 133.9 | 176.4 | -61 | -175.8 | -172.7 | 154.7 | 1.2 | 109 | G457 E458 Q498 | R455-G457 PolarHBondContact O-N 3.19Å; R455-E458 HydrophobicContact CB-CB 4.38Å; R455-E458 WeakPolarHBondContact CD-OE2 3.48Å; R455-E458 IonicContact NH1-OE2 2.77Å; R455-E458 PolarHBondContact O-N 2.7Å; R455-Q498 PolarHBondContact O-NE2 3.43Å; R455-Q498 PolarHBondContact O-OE1 2.9Å |
| 456 | E | 77.9 | Confident | 83.2 | Confident | 142 Ų | 142 | 53.7 Ų | 53.7 | 66% | 0.664 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 125.5 | -175.9 | -168.8 | 175 | -177 | 0 | 0 | 110.8 | E458 A497 | E456-E458 PolarHBondContact O-N 3.48Å; E456-A497 HydrophobicContact CB-CB 4.34Å |
| 457 | G | 79.8 | Confident | 83.1 | Confident | 46 Ų | 46 | 54.8 Ų | 54.8 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -14.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 117 | R455 D502 | R455-G457 PolarHBondContact O-N 3.19Å; G457-D502 PolarHBondContact N-OD2 3.02Å |
| 458 | E | 82.2 | Confident | 83.1 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 43% | 0.425 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 126.9 | 179.9 | -79.8 | -174.7 | 165.6 | 0 | 0 | 112.6 | A453 R455 E456 Q498 | A453-E458 HydrophobicContact CB-CB 3.86Å; A453-E458 PolarHBondContact N-O 2.89Å; R455-E458 HydrophobicContact CB-CB 4.38Å; R455-E458 WeakPolarHBondContact CD-OE2 3.48Å; R455-E458 IonicContact NH1-OE2 2.77Å; R455-E458 PolarHBondContact O-N 2.7Å; E456-E458 PolarHBondContact O-N 3.48Å; E458-Q498 PolarHBondContact O-NE2 2.85Å; E458-Q498 VanDerWaalsContact O-NE2 3.11Å |
| 459 | L | 86.5 | Confident | 83.5 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -100.6 | 151.9 | 175.4 | -58.7 | -178.9 | 0 | 0 | 0 | 111.5 | L452 L505 F506 | L452-L459 HydrophobicContact CD2-CD2 3.78Å; L459-L505 HydrophobicContact CD1-CB 4Å; L459-L505 HydrophobicContact CD2-CB 4.19Å; L459-L505 HydrophobicContact CD2-CD1 4.38Å; L459-L505 HydrophobicContact CG-CB 4.39Å; L459-F506 HydrophobicContact CB-CE1 4.49Å; L459-F506 HydrophobicContact CB-CZ 4.16Å; L459-F506 HydrophobicContact CD1-CD1 4.11Å; L459-F506 HydrophobicContact CD1-CD2 4.43Å; L459-F506 HydrophobicContact CD1-CE1 4.03Å; L459-F506 HydrophobicContact CD1-CE2 4.35Å; L459-F506 HydrophobicContact CD1-CG 4.31Å; L459-F506 HydrophobicContact CD1-CZ 4.16Å; L459-F506 HydrophobicContact CD2-CD2 4.11Å; L459-F506 HydrophobicContact CD2-CE2 3.63Å; L459-F506 HydrophobicContact CD2-CZ 3.92Å; L459-F506 HydrophobicContact CG-CE2 4.45Å; L459-F506 HydrophobicContact CG-CZ 4.31Å |
| 460 | V | 86.5 | Confident | 83.9 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 129 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 109.7 | L451 Q464 A465 K470 | L451-V460 PolarHBondContact O-N 2.75Å; V460-Q464 HydrophobicContact CG1-CB 3.95Å; V460-A465 HydrophobicContact CG1-CB 3.9Å; V460-K470 VanDerWaalsContact O-CE 3.25Å; V460-K470 WeakPolarHBondContact O-CE 3.45Å; V460-K470 PolarHBondContact O-NZ 3.04Å |
| 461 | P | 83.7 | Confident | 84.1 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 40% | 0.403 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 157.3 | -178.7 | 30.2 | -34.8 | 0 | 0 | 0 | 113.3 | D463 Q464 A465 | P461-D463 WeakPolarHBondContact CB-OD1 3.32Å; P461-D463 WeakPolarHBondContact CG-OD1 3.36Å; P461-D463 PolarHBondContact O-N 3.13Å; P461-Q464 HydrophobicContact CG-CG 4.19Å; P461-Q464 PolarHBondContact O-N 2.93Å; P461-A465 PolarHBondContact O-N 3.27Å |
| 462 | D | 85.4 | Confident | 84.3 | Confident | 74 Ų | 74 | 55.4 Ų | 55.4 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.7 | -172.7 | -83.3 | -15.3 | 0 | 0 | 0 | 114.5 | A465 K470 H509 | D462-A465 WeakPolarHBondContact CA-O 3.48Å; D462-A465 CarbonylContact O-C 3.55Å; D462-K470 WeakPolarHBondContact OD1-CE 3.36Å; D462-K470 IonicContact OD1-NZ 3.12Å; D462-K470 PolarHBondContact OD1-NZ 2.89Å; D462-H509 IonicContact OD1-CE1 3.93Å; D462-H509 IonicContact OD1-NE2 2.77Å; D462-H509 PolarHBondContact OD1-NE2 2.67Å; D462-H509 IonicContact OD2-CE1 3.7Å; D462-H509 PolarHBondContact OD2-CE1 3.37Å; D462-H509 IonicContact OD2-NE2 2.89Å |
| 463 | D | 80.6 | Confident | 84.5 | Confident | 136 Ų | 136 | 55.4 Ų | 55.4 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -32 | 174.9 | 60.3 | -25.2 | 0 | 0 | 0 | 112.6 | P461 | P461-D463 WeakPolarHBondContact CB-OD1 3.32Å; P461-D463 WeakPolarHBondContact CG-OD1 3.36Å; P461-D463 PolarHBondContact O-N 3.13Å |
| 464 | Q | 81.4 | Confident | 85 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -41.4 | 176.3 | -66.6 | -174.5 | -6 | 0 | 0 | 112.6 | V460 P461 | V460-Q464 HydrophobicContact CG1-CB 3.95Å; P461-Q464 HydrophobicContact CG-CG 4.19Å; P461-Q464 PolarHBondContact O-N 2.93Å |
| 465 | A | 81.8 | Confident | 85.8 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -132.1 | 114.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F450 V460 P461 D462 K470 | F450-A465 HydrophobicContact CB-CB 4.39Å; F450-A465 HydrophobicContact CD1-CB 4.3Å; V460-A465 HydrophobicContact CG1-CB 3.9Å; P461-A465 PolarHBondContact O-N 3.27Å; D462-A465 WeakPolarHBondContact CA-O 3.48Å; D462-A465 CarbonylContact O-C 3.55Å; A465-K470 VanDerWaalsContact O-CE 3.28Å; A465-K470 WeakPolarHBondContact O-CE 2.98Å |
| 466 | R | 84.5 | Confident | 86.5 | Confident | 153 Ų | 153 | 48.4 Ų | 48.4 | 58% | 0.577 | 26% | 0.262 | S | S | * | . | trans | -60.2 | 149.2 | -176.9 | -56.7 | -178.8 | -177.2 | 171.5 | 2.2 | 110.4 | S468 H469 K470 | R466-S468 PolarHBondContact O-N 3.45Å; R466-H469 WeakPolarHBondContact O-CA 3.42Å; R466-H469 WeakPolarHBondContact O-CB 3.31Å; R466-H469 PolarHBondContact O-N 3.3Å; R466-K470 PolarHBondContact O-N 3.39Å; R466-K470 VanDerWaalsContact O-N 3.12Å | ||
| 467 | A | 85.8 | Confident | 87.2 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -50.1 | -35.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K470 V471 V514 | A467-K470 WeakPolarHBondContact O-CB 3.23Å; A467-K470 PolarHBondContact O-N 2.65Å; A467-V471 WeakPolarHBondContact O-CG2 3.35Å; A467-V471 PolarHBondContact O-N 3.13Å; A467-V514 HydrophobicContact CB-CG2 3.97Å |
| 468 | S | 87.4 | Confident | 87.7 | Confident | 62 Ų | 62 | 39.9 Ų | 39.9 | 43% | 0.434 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 174.7 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | R466 V471 L472 | R466-S468 PolarHBondContact O-N 3.45Å; S468-V471 PolarHBondContact O-N 3.4Å; S468-L472 WeakPolarHBondContact O-CG 3.49Å; S468-L472 PolarHBondContact O-N 3.4Å |
| 469 | H | 90 | Very high | 88 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 6% | 0.06 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | 174.9 | -62.4 | 119.9 | 0 | 0 | 0 | 110.4 | S239 S243 F450 R466 L472 A473 | S239-H469 PolarHBondContact O-NE2 3.31Å; S239-H469 VanDerWaalsContact O-NE2 3.16Å; S243-H469 PolarHBondContact OG-CD2 3.34Å; S243-H469 VanDerWaalsContact OG-CD2 3.26Å; S243-H469 PolarHBondContact OG-NE2 3.15Å; S243-H469 VanDerWaalsContact OG-NE2 3.1Å; F450-H469 HydrophobicContact CD1-CB 3.98Å; F450-H469 HydrophobicContact CE1-CB 4.38Å; R466-H469 WeakPolarHBondContact O-CA 3.42Å; R466-H469 WeakPolarHBondContact O-CB 3.31Å; R466-H469 PolarHBondContact O-N 3.3Å; H469-L472 PolarHBondContact O-N 2.93Å; H469-A473 VanDerWaalsContact O-CB 3.27Å; H469-A473 WeakPolarHBondContact O-CB 3.5Å; H469-A473 PolarHBondContact O-N 3.26Å |
| 470 | K | 92.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 175.4 | -62.8 | 178.7 | 171.6 | 175 | 0 | 111.9 | L451 V460 D462 A465 R466 A467 A473 L474 F506 | L451-K470 HydrophobicContact CD2-CB 3.99Å; L451-K470 HydrophobicContact CD2-CG 4.06Å; V460-K470 VanDerWaalsContact O-CE 3.25Å; V460-K470 WeakPolarHBondContact O-CE 3.45Å; V460-K470 PolarHBondContact O-NZ 3.04Å; D462-K470 WeakPolarHBondContact OD1-CE 3.36Å; D462-K470 IonicContact OD1-NZ 3.12Å; D462-K470 PolarHBondContact OD1-NZ 2.89Å; A465-K470 VanDerWaalsContact O-CE 3.28Å; A465-K470 WeakPolarHBondContact O-CE 2.98Å; R466-K470 PolarHBondContact O-N 3.39Å; R466-K470 VanDerWaalsContact O-N 3.12Å; A467-K470 WeakPolarHBondContact O-CB 3.23Å; A467-K470 PolarHBondContact O-N 2.65Å; K470-A473 PolarHBondContact O-N 3.32Å; K470-L474 WeakPolarHBondContact O-CB 3.39Å; K470-L474 VanDerWaalsContact O-CG 3.22Å; K470-L474 WeakPolarHBondContact O-CG 3.28Å; K470-L474 PolarHBondContact O-N 3.3Å; K470-F506 HydrophobicContact CD-CE1 3.97Å |
| 471 | V | 92.2 | Very high | 88.2 | Confident | 25 Ų | 25 | 33.7 Ų | 33.7 | 15% | 0.152 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 176.5 | 166.2 | 0 | 0 | 0 | 0 | 111.5 | A467 S468 L474 G475 Q513 V514 | A467-V471 WeakPolarHBondContact O-CG2 3.35Å; A467-V471 PolarHBondContact O-N 3.13Å; S468-V471 PolarHBondContact O-N 3.4Å; V471-L474 PolarHBondContact O-N 3.06Å; V471-G475 PolarHBondContact O-N 3.43Å; V471-Q513 HydrophobicContact CG1-CG 4.48Å; V471-Q513 HydrophobicContact CG2-CB 4.43Å; V471-Q513 HydrophobicContact CG2-CG 4.09Å; V471-V514 HydrophobicContact CG2-CG2 3.86Å |
| 472 | L | 91.7 | Very high | 88.2 | Confident | 32 Ų | 32 | 32 Ų | 32 | 17% | 0.168 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 178.2 | -71.6 | 173.2 | 0 | 0 | 0 | 111.6 | L246 E247 S468 H469 G475 V476 | L246-L472 HydrophobicContact CB-CB 4.01Å; L246-L472 HydrophobicContact CB-CD1 4.35Å; L246-L472 HydrophobicContact CD1-CB 4.09Å; E247-L472 HydrophobicContact CG-CD1 4.06Å; E247-L472 HydrophobicContact CG-CD2 3.54Å; E247-L472 HydrophobicContact CG-CG 4.46Å; S468-L472 WeakPolarHBondContact O-CG 3.49Å; S468-L472 PolarHBondContact O-N 3.4Å; H469-L472 PolarHBondContact O-N 2.93Å; L472-G475 CarbonylContact O-C 3.59Å; L472-G475 WeakPolarHBondContact O-CA 3.26Å; L472-G475 PolarHBondContact O-N 3.28Å; L472-G475 VanDerWaalsContact O-N 3.13Å; L472-V476 WeakPolarHBondContact O-CG2 3.49Å; L472-V476 PolarHBondContact O-N 2.9Å |
| 473 | A | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F450 L451 H469 K470 G475 V476 F477 | F450-A473 HydrophobicContact CB-CB 4.25Å; F450-A473 HydrophobicContact CD2-CB 4.28Å; L451-A473 HydrophobicContact CD1-CB 4.08Å; L451-A473 HydrophobicContact CD2-CB 4.37Å; L451-A473 HydrophobicContact CG-CB 4.28Å; H469-A473 VanDerWaalsContact O-CB 3.27Å; H469-A473 WeakPolarHBondContact O-CB 3.5Å; H469-A473 PolarHBondContact O-N 3.26Å; K470-A473 PolarHBondContact O-N 3.32Å; A473-G475 VanDerWaalsContact C-N 3.27Å; A473-G475 PolarHBondContact O-N 3.04Å; A473-V476 WeakPolarHBondContact O-CA 3.12Å; A473-V476 WeakPolarHBondContact O-CB 3.09Å; A473-V476 PolarHBondContact O-N 3.31Å; A473-F477 WeakPolarHBondContact O-CD2 3.31Å; A473-F477 PolarHBondContact O-N 3.34Å |
| 474 | L | 92.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.4 | -35 | 173.2 | -71.9 | 170.8 | 0 | 0 | 0 | 112.1 | L451 K470 V471 V476 F477 E478 F506 V514 A518 M521 | L451-L474 HydrophobicContact CD1-CD2 4.23Å; L451-L474 HydrophobicContact CD2-CG 4.26Å; K470-L474 WeakPolarHBondContact O-CB 3.39Å; K470-L474 VanDerWaalsContact O-CG 3.22Å; K470-L474 WeakPolarHBondContact O-CG 3.28Å; K470-L474 PolarHBondContact O-N 3.3Å; V471-L474 PolarHBondContact O-N 3.06Å; L474-V476 VanDerWaalsContact C-N 3.34Å; L474-F477 CarbonylContact O-C 3.53Å; L474-F477 PolarHBondContact O-N 3.4Å; L474-E478 PolarHBondContact O-N 3.35Å; L474-F506 HydrophobicContact CD1-CB 4.47Å; L474-V514 HydrophobicContact CD1-CG1 4.1Å; L474-A518 HydrophobicContact CD1-CB 4.23Å; L474-M521 HydrophobicContact CD2-CE 4.4Å; L474-M521 HydrophobicContact CD2-SD 3.72Å |
| 475 | G | 91.1 | Very high | 87.8 | Confident | 9 Ų | 9 | 21 Ų | 21 | 9% | 0.093 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.9 | -33.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V471 L472 A473 E478 E479 | V471-G475 PolarHBondContact O-N 3.43Å; L472-G475 CarbonylContact O-C 3.59Å; L472-G475 WeakPolarHBondContact O-CA 3.26Å; L472-G475 PolarHBondContact O-N 3.28Å; L472-G475 VanDerWaalsContact O-N 3.13Å; A473-G475 VanDerWaalsContact C-N 3.27Å; A473-G475 PolarHBondContact O-N 3.04Å; G475-E478 WeakPolarHBondContact O-CB 3.24Å; G475-E479 PolarHBondContact O-N 2.74Å |
| 476 | V | 91 | Very high | 87.7 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.7 | -44.8 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | L246 L249 V250 F253 L446 L472 A473 L474 E478 E479 I480 | L246-V476 HydrophobicContact CD2-CG2 4.31Å; L249-V476 HydrophobicContact CB-CG2 4.34Å; L249-V476 HydrophobicContact CD2-CG1 3.99Å; V250-V476 HydrophobicContact CG2-CB 4.31Å; V250-V476 HydrophobicContact CG2-CG2 3.41Å; V250-V476 VanDerWaalsContact CG2-CG2 3.41Å; F253-V476 HydrophobicContact CD2-CG1 4.07Å; F253-V476 HydrophobicContact CE2-CG1 3.94Å; L446-V476 HydrophobicContact CD1-CB 3.99Å; L446-V476 HydrophobicContact CD1-CG1 3.52Å; L446-V476 HydrophobicContact CD1-CG2 4.5Å; L472-V476 WeakPolarHBondContact O-CG2 3.49Å; L472-V476 PolarHBondContact O-N 2.9Å; A473-V476 WeakPolarHBondContact O-CA 3.12Å; A473-V476 WeakPolarHBondContact O-CB 3.09Å; A473-V476 PolarHBondContact O-N 3.31Å; L474-V476 VanDerWaalsContact C-N 3.34Å; V476-E478 VanDerWaalsContact C-N 3.31Å; V476-E478 PolarHBondContact O-N 3.44Å; V476-E479 PolarHBondContact O-N 3.28Å; V476-E479 VanDerWaalsContact O-N 3.12Å; V476-I480 HydrophobicContact CG1-CD1 3.71Å; V476-I480 HydrophobicContact CG1-CG1 4.1Å; V476-I480 WeakPolarHBondContact O-CG1 3.49Å; V476-I480 PolarHBondContact O-N 3.17Å |
| 477 | F | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63 | -34.2 | 176 | -81.2 | -73.9 | 0 | 0 | 0 | 113.4 | A443 L446 L451 A473 L474 E479 I480 F481 L500 L503 M521 | A443-F477 HydrophobicContact CB-CE1 3.88Å; A443-F477 HydrophobicContact CB-CZ 4.49Å; A443-F477 VanDerWaalsContact O-CZ 3.26Å; A443-F477 WeakPolarHBondContact O-CZ 3.28Å; L446-F477 HydrophobicContact CB-CE2 3.84Å; L446-F477 HydrophobicContact CB-CZ 4.09Å; L451-F477 HydrophobicContact CD1-CD2 3.67Å; L451-F477 HydrophobicContact CD1-CE2 3.42Å; L451-F477 VanDerWaalsContact CD1-CE2 3.42Å; L451-F477 HydrophobicContact CD1-CZ 4.47Å; A473-F477 WeakPolarHBondContact O-CD2 3.31Å; A473-F477 PolarHBondContact O-N 3.34Å; L474-F477 CarbonylContact O-C 3.53Å; L474-F477 PolarHBondContact O-N 3.4Å; F477-E479 VanDerWaalsContact C-N 3.26Å; F477-E479 PolarHBondContact O-N 3.47Å; F477-I480 PolarHBondContact O-N 3.02Å; F477-F481 HydrophobicContact CB-CD2 4.19Å; F477-F481 HydrophobicContact CB-CE2 3.96Å; F477-F481 HydrophobicContact CD1-CD2 4.47Å; F477-F481 HydrophobicContact CD1-CE1 4.17Å; F477-F481 AromaticContact CD1-CE2 3.74Å; F477-F481 HydrophobicContact CD1-CE2 3.74Å; F477-F481 AromaticContact CD1-CZ 3.56Å; F477-F481 HydrophobicContact CD1-CZ 3.56Å; F477-F481 HydrophobicContact CE1-CZ 4.13Å; F477-F481 HydrophobicContact CG-CE2 4.21Å; F477-F481 HydrophobicContact CG-CZ 4.45Å; F477-F481 WeakPolarHBondContact O-CB 2.93Å; F477-F481 VanDerWaalsContact O-CD2 3.31Å; F477-F481 WeakPolarHBondContact O-CD2 3.23Å; F477-F481 WeakPolarHBondContact O-CG 3.37Å; F477-F481 PolarHBondContact O-N 3Å; F477-L500 HydrophobicContact CE1-CD2 4.4Å; F477-L503 HydrophobicContact CD1-CD1 4.01Å; F477-L503 HydrophobicContact CD2-CD1 4.23Å; F477-L503 HydrophobicContact CE1-CD1 4Å; F477-L503 HydrophobicContact CE2-CD1 4.26Å; F477-L503 HydrophobicContact CG-CD1 4.12Å; F477-L503 HydrophobicContact CZ-CD1 4.12Å; F477-M521 HydrophobicContact CB-CG 4.05Å; F477-M521 HydrophobicContact CB-SD 3.75Å |
| 478 | E | 90.8 | Very high | 87.8 | Confident | 10 Ų | 10 | 14.7 Ų | 14.7 | 5% | 0.047 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -54 | -45.7 | 171.6 | -176.4 | -169.3 | 163.5 | 0 | 0 | 110.6 | L474 G475 V476 S482 M521 A524 R571 | L474-E478 PolarHBondContact O-N 3.35Å; G475-E478 WeakPolarHBondContact O-CB 3.24Å; V476-E478 VanDerWaalsContact C-N 3.31Å; V476-E478 PolarHBondContact O-N 3.44Å; E478-S482 WeakPolarHBondContact O-CB 3.23Å; E478-S482 PolarHBondContact O-N 3.16Å; E478-S482 VanDerWaalsContact O-N 3.11Å; E478-M521 HydrophobicContact CB-CB 4.42Å; E478-A524 HydrophobicContact CG-CB 3.72Å; E478-A524 WeakPolarHBondContact O-CB 3.3Å; E478-R571 IonicContact OE1-CZ 2.8Å; E478-R571 VanDerWaalsContact OE1-CZ 3.25Å; E478-R571 IonicContact OE1-NH1 3.35Å; E478-R571 PolarHBondContact OE1-NH1 2.99Å; E478-R571 IonicContact OE1-NH2 3.9Å; E478-R571 PolarHBondContact OE1-NH2 3.41Å |
| 479 | E | 88.5 | Confident | 87.6 | Confident | 13 Ų | 13 | 13.9 Ų | 13.9 | 6% | 0.061 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -77 | -40.1 | 178.2 | -57.1 | -61.9 | 156.6 | 0 | 0 | 112.2 | F253 R254 G475 V476 F477 F481 S482 L483 | F253-E479 HydrophobicContact CB-CB 3.64Å; F253-E479 HydrophobicContact CB-CG 4.23Å; F253-E479 HydrophobicContact CG-CB 4.41Å; R254-E479 HydrophobicContact CG-CG 3.92Å; R254-E479 WeakPolarHBondContact CG-OE1 3.35Å; R254-E479 IonicContact CZ-OE1 3.07Å; R254-E479 IonicContact NE-OE1 2.72Å; R254-E479 PolarHBondContact NE-OE1 2.94Å; R254-E479 IonicContact NH2-OE1 2.65Å; G475-E479 PolarHBondContact O-N 2.74Å; V476-E479 PolarHBondContact O-N 3.28Å; V476-E479 VanDerWaalsContact O-N 3.12Å; F477-E479 VanDerWaalsContact C-N 3.26Å; F477-E479 PolarHBondContact O-N 3.47Å; E479-F481 PolarHBondContact O-N 3.46Å; E479-S482 WeakPolarHBondContact O-CB 3.41Å; E479-S482 PolarHBondContact O-N 2.7Å; E479-L483 VanDerWaalsContact O-CG 3.3Å; E479-L483 WeakPolarHBondContact O-CG 3.4Å; E479-L483 PolarHBondContact O-N 3.18Å |
| 480 | I | 88.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.3 | -49.8 | 176.3 | -70.2 | 175.1 | 0 | 0 | 0 | 110.4 | F253 L439 L446 V476 F477 S482 L483 E484 L487 | F253-I480 HydrophobicContact CD2-CG1 4.22Å; F253-I480 HydrophobicContact CE2-CD1 4.12Å; F253-I480 HydrophobicContact CE2-CG1 3.68Å; F253-I480 HydrophobicContact CZ-CG1 4.24Å; L439-I480 HydrophobicContact CD1-CG1 4.31Å; L439-I480 HydrophobicContact CD2-CG2 4.12Å; L439-I480 HydrophobicContact CG-CG2 4.12Å; L446-I480 HydrophobicContact CD1-CD1 4.48Å; V476-I480 HydrophobicContact CG1-CD1 3.71Å; V476-I480 HydrophobicContact CG1-CG1 4.1Å; V476-I480 WeakPolarHBondContact O-CG1 3.49Å; V476-I480 PolarHBondContact O-N 3.17Å; F477-I480 PolarHBondContact O-N 3.02Å; I480-S482 VanDerWaalsContact C-N 3.27Å; I480-S482 PolarHBondContact O-N 3Å; I480-L483 CarbonylContact O-C 3.59Å; I480-L483 WeakPolarHBondContact O-CA 3.25Å; I480-L483 WeakPolarHBondContact O-CB 3.38Å; I480-L483 PolarHBondContact O-N 2.73Å; I480-E484 PolarHBondContact O-N 3.01Å; I480-L487 HydrophobicContact CG2-CD1 3.95Å |
| 481 | F | 88.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.6 | -23.8 | 178.7 | -62.7 | -39 | 0 | 0 | 0 | 112.5 | F477 E479 L483 L487 F488 L503 M521 M525 S528 | F477-F481 HydrophobicContact CB-CD2 4.19Å; F477-F481 HydrophobicContact CB-CE2 3.96Å; F477-F481 HydrophobicContact CD1-CD2 4.47Å; F477-F481 HydrophobicContact CD1-CE1 4.17Å; F477-F481 AromaticContact CD1-CE2 3.74Å; F477-F481 HydrophobicContact CD1-CE2 3.74Å; F477-F481 AromaticContact CD1-CZ 3.56Å; F477-F481 HydrophobicContact CD1-CZ 3.56Å; F477-F481 HydrophobicContact CE1-CZ 4.13Å; F477-F481 HydrophobicContact CG-CE2 4.21Å; F477-F481 HydrophobicContact CG-CZ 4.45Å; F477-F481 WeakPolarHBondContact O-CB 2.93Å; F477-F481 VanDerWaalsContact O-CD2 3.31Å; F477-F481 WeakPolarHBondContact O-CD2 3.23Å; F477-F481 WeakPolarHBondContact O-CG 3.37Å; F477-F481 PolarHBondContact O-N 3Å; E479-F481 PolarHBondContact O-N 3.46Å; F481-L483 PolarHBondContact O-N 3.37Å; F481-L487 HydrophobicContact CD1-CB 4.37Å; F481-L487 HydrophobicContact CE1-CB 4.03Å; F481-F488 HydrophobicContact CD1-CB 4.39Å; F481-F488 HydrophobicContact CD2-CD2 4.36Å; F481-F488 HydrophobicContact CE1-CB 4.11Å; F481-F488 HydrophobicContact CE1-CD2 4.42Å; F481-F488 AromaticContact CE2-CD2 3.8Å; F481-F488 HydrophobicContact CE2-CD2 3.8Å; F481-F488 HydrophobicContact CE2-CE2 4.48Å; F481-F488 HydrophobicContact CZ-CB 4.34Å; F481-F488 AromaticContact CZ-CD2 3.84Å; F481-F488 HydrophobicContact CZ-CD2 3.84Å; F481-L503 HydrophobicContact CE2-CD1 4.15Å; F481-L503 HydrophobicContact CZ-CD1 4.13Å; F481-M521 HydrophobicContact CD2-CG 3.55Å; F481-M521 HydrophobicContact CD2-SD 4.03Å; F481-M521 HydrophobicContact CE2-CE 4.46Å; F481-M521 HydrophobicContact CE2-CG 3.85Å; F481-M521 HydrophobicContact CE2-SD 3.66Å; F481-M525 HydrophobicContact CB-CB 3.8Å; F481-M525 HydrophobicContact CB-CG 4.08Å; F481-M525 HydrophobicContact CG-CB 4.4Å; F481-M525 HydrophobicContact CG-CG 4.41Å; F481-S528 WeakPolarHBondContact O-CB 3.25Å; F481-S528 PolarHBondContact O-OG 2.97Å |
| 482 | S | 83.1 | Confident | 86.1 | Confident | 26 Ų | 26 | 14.7 Ų | 14.7 | 18% | 0.182 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.1 | -25.4 | 165.4 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | E478 E479 I480 | E478-S482 WeakPolarHBondContact O-CB 3.23Å; E478-S482 PolarHBondContact O-N 3.16Å; E478-S482 VanDerWaalsContact O-N 3.11Å; E479-S482 WeakPolarHBondContact O-CB 3.41Å; E479-S482 PolarHBondContact O-N 2.7Å; I480-S482 VanDerWaalsContact C-N 3.27Å; I480-S482 PolarHBondContact O-N 3Å |
| 483 | L | 78.3 | Confident | 85.2 | Confident | 28 Ų | 28 | 14.2 Ų | 14.2 | 15% | 0.147 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -100.7 | -24.2 | -179.1 | -65.9 | 174.2 | 0 | 0 | 0 | 114.5 | F253 L261 E479 I480 F481 R532 | F253-L483 HydrophobicContact CD1-CD1 3.7Å; F253-L483 HydrophobicContact CE1-CD1 4.25Å; F253-L483 HydrophobicContact CG-CD1 4.31Å; L261-L483 HydrophobicContact CD1-CD1 3.86Å; L261-L483 HydrophobicContact CD1-CD2 3.84Å; L261-L483 HydrophobicContact CD1-CG 4.35Å; L261-L483 HydrophobicContact CD2-CD2 4.17Å; E479-L483 VanDerWaalsContact O-CG 3.3Å; E479-L483 WeakPolarHBondContact O-CG 3.4Å; E479-L483 PolarHBondContact O-N 3.18Å; I480-L483 CarbonylContact O-C 3.59Å; I480-L483 WeakPolarHBondContact O-CA 3.25Å; I480-L483 WeakPolarHBondContact O-CB 3.38Å; I480-L483 PolarHBondContact O-N 2.73Å; F481-L483 PolarHBondContact O-N 3.37Å; L483-R532 PolarHBondContact O-NH1 3.48Å; L483-R532 PolarHBondContact O-NH2 3.36Å |
| 484 | E | 80.3 | Confident | 83.8 | Confident | 39 Ų | 39 | 17.9 Ų | 17.9 | 18% | 0.182 | 11% | 0.107 | C | C | . | . | trans | -157 | 89.2 | 177.4 | -163.7 | 167.4 | -177.3 | 0 | 0 | 110.6 | L439 I480 S486 L487 | L439-E484 HydrophobicContact CD2-CB 3.59Å; L439-E484 WeakPolarHBondContact CD2-OE2 3.31Å; I480-E484 PolarHBondContact O-N 3.01Å; E484-S486 WeakPolarHBondContact CG-OG 3.43Å; E484-L487 HydrophobicContact CB-CD1 4Å; E484-L487 HydrophobicContact CB-CG 4.27Å; E484-L487 HydrophobicContact CG-CD1 4.21Å; E484-L487 HydrophobicContact CG-CG 4.01Å | ||
| 485 | P | 80.7 | Confident | 82.4 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -72.1 | -26.5 | -175.3 | 22 | -26.1 | 0 | 0 | 0 | 113.8 | L487 F488 M525 S528 S529 | P485-L487 PolarHBondContact O-N 2.75Å; P485-L487 VanDerWaalsContact O-N 3.13Å; P485-F488 WeakPolarHBondContact O-CB 3.04Å; P485-F488 PolarHBondContact O-N 3.49Å; P485-M525 HydrophobicContact CB-CG 4.18Å; P485-S528 WeakPolarHBondContact CB-OG 3.43Å; P485-S529 VanDerWaalsContact CB-OG 3.28Å; P485-S529 WeakPolarHBondContact CB-OG 3.3Å |
| 486 | S | 80.7 | Confident | 81.2 | Confident | 41 Ų | 41 | 25.2 Ų | 25.2 | 29% | 0.287 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -56.1 | -27.1 | 176.7 | 60.6 | 0 | 0 | 0 | 0 | 113.7 | E484 F488 V489 E534 | E484-S486 WeakPolarHBondContact CG-OG 3.43Å; S486-F488 PolarHBondContact O-N 3.19Å; S486-V489 PolarHBondContact O-N 3.45Å; S486-E534 PolarHBondContact N-OE2 2.89Å |
| 487 | L | 84.6 | Confident | 80.3 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -62.1 | -23.8 | 175.6 | -70.6 | 176.2 | 0 | 0 | 0 | 113.2 | L439 Q440 I480 F481 E484 P485 V489 A490 L500 | L439-L487 HydrophobicContact CD2-CD1 3.89Å; L439-L487 HydrophobicContact CG-CD1 4.34Å; Q440-L487 HydrophobicContact CB-CD2 3.94Å; Q440-L487 HydrophobicContact CG-CD2 3.72Å; I480-L487 HydrophobicContact CG2-CD1 3.95Å; F481-L487 HydrophobicContact CD1-CB 4.37Å; F481-L487 HydrophobicContact CE1-CB 4.03Å; E484-L487 HydrophobicContact CB-CD1 4Å; E484-L487 HydrophobicContact CB-CG 4.27Å; E484-L487 HydrophobicContact CG-CD1 4.21Å; E484-L487 HydrophobicContact CG-CG 4.01Å; P485-L487 PolarHBondContact O-N 2.75Å; P485-L487 VanDerWaalsContact O-N 3.13Å; L487-V489 PolarHBondContact O-N 3.08Å; L487-A490 VanDerWaalsContact O-CB 3.24Å; L487-A490 WeakPolarHBondContact O-CB 3.45Å; L487-A490 PolarHBondContact O-N 2.91Å; L487-L500 VanDerWaalsContact O-CD1 3.26Å; L487-L500 WeakPolarHBondContact O-CD1 3.45Å |
| 488 | F | 86.3 | Confident | 79.8 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -61.6 | -31.1 | -178.8 | -174.5 | -103.4 | 0 | 0 | 0 | 113.1 | F481 P485 S486 L500 S501 M521 M525 L538 L542 | F481-F488 HydrophobicContact CD1-CB 4.39Å; F481-F488 HydrophobicContact CD2-CD2 4.36Å; F481-F488 HydrophobicContact CE1-CB 4.11Å; F481-F488 HydrophobicContact CE1-CD2 4.42Å; F481-F488 AromaticContact CE2-CD2 3.8Å; F481-F488 HydrophobicContact CE2-CD2 3.8Å; F481-F488 HydrophobicContact CE2-CE2 4.48Å; F481-F488 HydrophobicContact CZ-CB 4.34Å; F481-F488 AromaticContact CZ-CD2 3.84Å; F481-F488 HydrophobicContact CZ-CD2 3.84Å; P485-F488 WeakPolarHBondContact O-CB 3.04Å; P485-F488 PolarHBondContact O-N 3.49Å; S486-F488 PolarHBondContact O-N 3.19Å; F488-L500 CarbonylContact O-C 3.44Å; F488-S501 PolarHBondContact O-N 3.34Å; F488-M521 HydrophobicContact CE2-CE 4.43Å; F488-M525 HydrophobicContact CB-CG 4.3Å; F488-M525 HydrophobicContact CB-SD 3.57Å; F488-M525 VanDerWaalsContact CB-SD 3.57Å; F488-M525 HydrophobicContact CD1-CE 4.47Å; F488-M525 HydrophobicContact CD1-SD 3.47Å; F488-M525 WeakPolarHBondContact CD1-SD 3.25Å; F488-M525 HydrophobicContact CD2-SD 3.54Å; F488-M525 VanDerWaalsContact CD2-SD 3.54Å; F488-M525 HydrophobicContact CE1-SD 3.97Å; F488-M525 HydrophobicContact CE2-SD 4.03Å; F488-M525 HydrophobicContact CG-CG 4.46Å; F488-M525 HydrophobicContact CG-SD 3.22Å; F488-M525 WeakPolarHBondContact CG-SD 2.84Å; F488-M525 HydrophobicContact CZ-SD 4.21Å; F488-L538 HydrophobicContact CD1-CD2 4.29Å; F488-L542 HydrophobicContact CD1-CD2 4.39Å; F488-L542 HydrophobicContact CE1-CD1 4.43Å; F488-L542 HydrophobicContact CE1-CD2 4.04Å |
| 489 | V | 84.1 | Confident | 79.6 | Confident | 44 Ų | 44 | 32.3 Ų | 32.3 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -94.6 | -0.2 | -179.8 | -151.8 | 0 | 0 | 0 | 0 | 111.8 | S486 L487 V537 | S486-V489 PolarHBondContact O-N 3.45Å; L487-V489 PolarHBondContact O-N 3.08Å; V489-V537 HydrophobicContact CG2-CG1 4.12Å |
| 490 | A | 83.2 | Confident | 79.5 | Confident | 16 Ų | 16 | 31.8 Ų | 31.8 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -71.7 | 145.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L487 L500 | L487-A490 VanDerWaalsContact O-CB 3.24Å; L487-A490 WeakPolarHBondContact O-CB 3.45Å; L487-A490 PolarHBondContact O-N 2.91Å; A490-L500 PolarHBondContact O-N 2.9Å |
| 491 | P | 80.7 | Confident | 79.4 | Confident | 41 Ų | 41 | 32.6 Ų | 32.6 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -66.3 | 143.4 | 172.3 | 28.9 | -34 | 0 | 0 | 0 | 110.6 | R444 I493 D494 | R444-P491 PolarHBondContact NE-O 3.13Å; P491-I493 VanDerWaalsContact C-N 3.32Å; P491-D494 WeakPolarHBondContact CG-OD1 3.45Å |
| 492 | L | 78.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -60.8 | -45.6 | 175.4 | -178.3 | 68.1 | 0 | 0 | 0 | 110.6 | R444 S447 L452 Q498 L500 | R444-L492 VanDerWaalsContact CD-O 3.24Å; R444-L492 WeakPolarHBondContact CD-O 3.21Å; R444-L492 WeakPolarHBondContact CG-O 2.9Å; R444-L492 PolarHBondContact NE-O 3.1Å; S447-L492 WeakPolarHBondContact OG-CD1 3.21Å; L452-L492 HydrophobicContact CB-CD2 4.14Å; L452-L492 HydrophobicContact CD1-CD1 4.34Å; L492-Q498 WeakPolarHBondContact CB-O 3.39Å; L492-Q498 PolarHBondContact N-O 3.43Å; L492-L500 HydrophobicContact CD1-CD2 4.21Å |
| 493 | I | 73 | Confident | 79.8 | Confident | 22 Ų | 22 | 32.3 Ų | 32.3 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -136.4 | 132.1 | 173.8 | -58.7 | 177.1 | 0 | 0 | 0 | 107.3 | W424 P491 G495 E496 | W424-I493 HydrophobicContact CZ2-CD1 4.15Å; W424-I493 HydrophobicContact CZ2-CG1 4.18Å; P491-I493 VanDerWaalsContact C-N 3.32Å; I493-G495 PolarHBondContact O-N 3.49Å; I493-E496 HydrophobicContact CB-CB 4.3Å; I493-E496 HydrophobicContact CB-CG 4.13Å; I493-E496 WeakPolarHBondContact CD1-OE2 3.11Å; I493-E496 PolarHBondContact O-N 3.31Å |
| 494 | D | 63.1 | Low | 80.3 | Confident | 77 Ų | 77 | 31.7 Ų | 31.7 | 41% | 0.412 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 113.4 | 177.2 | -67.3 | -31.1 | 0 | 0 | 0 | 110.8 | R444 P491 | R444-D494 IonicContact NH2-OD1 3.32Å; R444-D494 PolarHBondContact NH2-OD1 3.42Å; R444-D494 IonicContact NH2-OD2 3.75Å; P491-D494 WeakPolarHBondContact CG-OD1 3.45Å |
| 495 | G | 62.2 | Low | 80.6 | Confident | 87 Ų | 87 | 32.1 Ų | 32.1 | 90% | 0.897 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 107.7 | -13.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | I493 | I493-G495 PolarHBondContact O-N 3.49Š|
| 496 | E | 65.7 | Low | 81.1 | Confident | 76 Ų | 76 | 32 Ų | 32 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | trans | -90.1 | 151.3 | 169.6 | -69.9 | -171.1 | 166.8 | 0 | 0 | 111.4 | I493 | I493-E496 HydrophobicContact CB-CB 4.3Å; I493-E496 HydrophobicContact CB-CG 4.13Å; I493-E496 WeakPolarHBondContact CD1-OE2 3.11Å; I493-E496 PolarHBondContact O-N 3.31Å | ||
| 497 | A | 72.1 | Confident | 81.4 | Confident | 64 Ų | 64 | 30.7 Ų | 30.7 | 53% | 0.529 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -74.4 | -28.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E456 K499 | E456-A497 HydrophobicContact CB-CB 4.34Å; A497-K499 PolarHBondContact O-N 3.18Å |
| 498 | Q | 83.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -71 | 128.5 | -174.5 | -169.9 | 162.1 | 43.4 | 0 | 0 | 112 | G454 R455 E458 L492 D502 | G454-Q498 VanDerWaalsContact C-OE1 3.26Å; R455-Q498 PolarHBondContact O-NE2 3.43Å; R455-Q498 PolarHBondContact O-OE1 2.9Å; E458-Q498 PolarHBondContact O-NE2 2.85Å; E458-Q498 VanDerWaalsContact O-NE2 3.11Å; L492-Q498 WeakPolarHBondContact CB-O 3.39Å; L492-Q498 PolarHBondContact N-O 3.43Å; Q498-D502 HydrophobicContact CG-CB 4.41Å; Q498-D502 VanDerWaalsContact CG-OD2 3.32Å; Q498-D502 WeakPolarHBondContact CG-OD2 3.35Å; Q498-D502 PolarHBondContact NE2-OD2 2.89Å | ||
| 499 | K | 85.6 | Confident | 81.6 | Confident | 95 Ų | 95 | 36.2 Ų | 36.2 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -107.8 | 160.6 | 178.3 | -66.7 | 177.8 | -175.6 | 174.6 | 0 | 111.2 | A497 S501 D502 | A497-K499 PolarHBondContact O-N 3.18Å; K499-S501 WeakPolarHBondContact CB-OG 3.26Å; K499-S501 PolarHBondContact O-N 3.45Å; K499-S501 VanDerWaalsContact O-N 3.13Å; K499-D502 WeakPolarHBondContact O-CB 3.49Å; K499-D502 PolarHBondContact O-N 3.02Å; K499-D502 VanDerWaalsContact O-N 3.16Å |
| 500 | L | 87.5 | Confident | 81.7 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -62.7 | -16.3 | 172.2 | -71.4 | 174.1 | 0 | 0 | 0 | 113 | A443 S447 L452 F477 L487 F488 A490 L492 D502 L503 | A443-L500 HydrophobicContact CB-CD1 4.34Å; S447-L500 WeakPolarHBondContact OG-CD2 3.36Å; L452-L500 HydrophobicContact CD1-CD2 4.25Å; F477-L500 HydrophobicContact CE1-CD2 4.4Å; L487-L500 VanDerWaalsContact O-CD1 3.26Å; L487-L500 WeakPolarHBondContact O-CD1 3.45Å; F488-L500 CarbonylContact O-C 3.44Å; A490-L500 PolarHBondContact O-N 2.9Å; L492-L500 HydrophobicContact CD1-CD2 4.21Å; L500-D502 PolarHBondContact O-N 3.43Å; L500-L503 HydrophobicContact CD2-CD1 4.32Å; L500-L503 VanDerWaalsContact O-CB 3.28Å; L500-L503 WeakPolarHBondContact O-CB 3.26Å; L500-L503 WeakPolarHBondContact O-CG 3.45Å; L500-L503 PolarHBondContact O-N 3.48Å; L500-L503 VanDerWaalsContact O-N 3.09Å |
| 501 | S | 86.6 | Confident | 82 | Confident | 17 Ų | 17 | 43 Ų | 43 | 12% | 0.119 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -61.5 | -24 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | F488 K499 L503 S504 | F488-S501 PolarHBondContact O-N 3.34Å; K499-S501 WeakPolarHBondContact CB-OG 3.26Å; K499-S501 PolarHBondContact O-N 3.45Å; K499-S501 VanDerWaalsContact O-N 3.13Å; S501-L503 PolarHBondContact O-N 3.28Å; S501-L503 VanDerWaalsContact O-N 3.16Å; S501-S504 WeakPolarHBondContact O-CB 3.19Å; S501-S504 PolarHBondContact O-N 3.42Å; S501-S504 PolarHBondContact O-OG 3.39Å |
| 502 | D | 87.6 | Confident | 82.4 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 11% | 0.107 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -64 | -16.6 | 175.9 | -74 | 18 | 0 | 0 | 0 | 112.3 | L452 G457 Q498 K499 L500 S504 L505 | L452-D502 HydrophobicContact CD2-CB 3.95Å; G457-D502 PolarHBondContact N-OD2 3.02Å; Q498-D502 HydrophobicContact CG-CB 4.41Å; Q498-D502 VanDerWaalsContact CG-OD2 3.32Å; Q498-D502 WeakPolarHBondContact CG-OD2 3.35Å; Q498-D502 PolarHBondContact NE2-OD2 2.89Å; K499-D502 WeakPolarHBondContact O-CB 3.49Å; K499-D502 PolarHBondContact O-N 3.02Å; K499-D502 VanDerWaalsContact O-N 3.16Å; L500-D502 PolarHBondContact O-N 3.43Å; D502-S504 PolarHBondContact O-N 3.25Å; D502-S504 VanDerWaalsContact O-N 3.08Å; D502-L505 HydrophobicContact CB-CD1 4.1Å; D502-L505 VanDerWaalsContact O-CB 3.23Å; D502-L505 WeakPolarHBondContact O-CB 3.45Å; D502-L505 VanDerWaalsContact O-CG 3.3Å; D502-L505 WeakPolarHBondContact O-CG 3.22Å; D502-L505 PolarHBondContact O-N 2.97Å |
| 503 | L | 90.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -58.2 | -21.7 | 170.8 | -65.6 | 177.2 | 0 | 0 | 0 | 112.5 | L451 L452 F477 F481 L500 S501 L505 F506 M521 | L451-L503 HydrophobicContact CB-CD2 3.7Å; L451-L503 HydrophobicContact CD1-CD2 3.54Å; L451-L503 HydrophobicContact CG-CD2 4.19Å; L452-L503 HydrophobicContact CD1-CD2 4.13Å; L452-L503 HydrophobicContact CD1-CG 4.31Å; L452-L503 HydrophobicContact CD2-CD2 4.01Å; L452-L503 HydrophobicContact CG-CD2 3.91Å; F477-L503 HydrophobicContact CD1-CD1 4.01Å; F477-L503 HydrophobicContact CD2-CD1 4.23Å; F477-L503 HydrophobicContact CE1-CD1 4Å; F477-L503 HydrophobicContact CE2-CD1 4.26Å; F477-L503 HydrophobicContact CG-CD1 4.12Å; F477-L503 HydrophobicContact CZ-CD1 4.12Å; F481-L503 HydrophobicContact CE2-CD1 4.15Å; F481-L503 HydrophobicContact CZ-CD1 4.13Å; L500-L503 HydrophobicContact CD2-CD1 4.32Å; L500-L503 VanDerWaalsContact O-CB 3.28Å; L500-L503 WeakPolarHBondContact O-CB 3.26Å; L500-L503 WeakPolarHBondContact O-CG 3.45Å; L500-L503 PolarHBondContact O-N 3.48Å; L500-L503 VanDerWaalsContact O-N 3.09Å; S501-L503 PolarHBondContact O-N 3.28Å; S501-L503 VanDerWaalsContact O-N 3.16Å; L503-L505 PolarHBondContact O-N 3.21Å; L503-F506 HydrophobicContact CD2-CD2 4.37Å; L503-F506 HydrophobicContact CD2-CE2 4.16Å; L503-F506 PolarHBondContact O-N 2.69Å; L503-M521 HydrophobicContact CB-CE 3.79Å; L503-M521 HydrophobicContact CB-SD 4.25Å; L503-M521 HydrophobicContact CD1-SD 4.21Å |
| 504 | S | 88.9 | Confident | 83.8 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -65.2 | -21.5 | 173.1 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | S501 D502 F506 C507 | S501-S504 WeakPolarHBondContact O-CB 3.19Å; S501-S504 PolarHBondContact O-N 3.42Å; S501-S504 PolarHBondContact O-OG 3.39Å; D502-S504 PolarHBondContact O-N 3.25Å; D502-S504 VanDerWaalsContact O-N 3.08Å; S504-F506 PolarHBondContact O-N 3.05Å; S504-C507 VanDerWaalsContact O-CB 3.29Å; S504-C507 WeakPolarHBondContact O-CB 3.28Å; S504-C507 PolarHBondContact O-N 3.23Å; S504-C507 VanDerWaalsContact O-N 3.14Å; S504-C507 PolarHBondContact O-SG 2.94Å; S504-C507 VanDerWaalsContact O-SG 3.37Å |
| 505 | L | 88.1 | Confident | 85.2 | Confident | 48 Ų | 48 | 46.3 Ų | 46.3 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -64.9 | -25.8 | 177.7 | -62.7 | 170.1 | 0 | 0 | 0 | 112.2 | L459 D502 L503 C507 S508 | L459-L505 HydrophobicContact CD1-CB 4Å; L459-L505 HydrophobicContact CD2-CB 4.19Å; L459-L505 HydrophobicContact CD2-CD1 4.38Å; L459-L505 HydrophobicContact CG-CB 4.39Å; D502-L505 HydrophobicContact CB-CD1 4.1Å; D502-L505 VanDerWaalsContact O-CB 3.23Å; D502-L505 WeakPolarHBondContact O-CB 3.45Å; D502-L505 VanDerWaalsContact O-CG 3.3Å; D502-L505 WeakPolarHBondContact O-CG 3.22Å; D502-L505 PolarHBondContact O-N 2.97Å; L503-L505 PolarHBondContact O-N 3.21Å; L505-C507 PolarHBondContact O-N 3.07Å; L505-S508 PolarHBondContact O-N 2.75Å; L505-S508 PolarHBondContact O-OG 3Å |
| 506 | F | 90.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -61.8 | -13.9 | 174.3 | -77.6 | -73.7 | 0 | 0 | 0 | 113.8 | L451 L459 K470 L474 L503 S504 S508 H509 V514 A518 | L451-F506 HydrophobicContact CB-CE2 3.85Å; L451-F506 HydrophobicContact CB-CZ 4.13Å; L451-F506 HydrophobicContact CD2-CE2 3.88Å; L451-F506 HydrophobicContact CD2-CZ 3.87Å; L451-F506 HydrophobicContact CG-CE2 4.41Å; L451-F506 WeakPolarHBondContact O-CZ 3.48Å; L459-F506 HydrophobicContact CB-CE1 4.49Å; L459-F506 HydrophobicContact CB-CZ 4.16Å; L459-F506 HydrophobicContact CD1-CD1 4.11Å; L459-F506 HydrophobicContact CD1-CD2 4.43Å; L459-F506 HydrophobicContact CD1-CE1 4.03Å; L459-F506 HydrophobicContact CD1-CE2 4.35Å; L459-F506 HydrophobicContact CD1-CG 4.31Å; L459-F506 HydrophobicContact CD1-CZ 4.16Å; L459-F506 HydrophobicContact CD2-CD2 4.11Å; L459-F506 HydrophobicContact CD2-CE2 3.63Å; L459-F506 HydrophobicContact CD2-CZ 3.92Å; L459-F506 HydrophobicContact CG-CE2 4.45Å; L459-F506 HydrophobicContact CG-CZ 4.31Å; K470-F506 HydrophobicContact CD-CE1 3.97Å; L474-F506 HydrophobicContact CD1-CB 4.47Å; L503-F506 HydrophobicContact CD2-CD2 4.37Å; L503-F506 HydrophobicContact CD2-CE2 4.16Å; L503-F506 PolarHBondContact O-N 2.69Å; S504-F506 PolarHBondContact O-N 3.05Å; F506-S508 PolarHBondContact O-N 2.66Å; F506-H509 VanDerWaalsContact O-CB 3.25Å; F506-H509 WeakPolarHBondContact O-CB 3.45Å; F506-H509 PolarHBondContact O-N 3.26Å; F506-H509 VanDerWaalsContact O-N 3.15Å; F506-V514 HydrophobicContact CB-CG1 4.31Å; F506-V514 HydrophobicContact CD1-CG1 3.78Å; F506-V514 HydrophobicContact CG-CG1 4.4Å; F506-A518 HydrophobicContact CB-CB 3.82Å |
| 507 | C | 86.9 | Confident | 87.7 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 8% | 0.081 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -62.8 | -18.2 | 169.9 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | S504 L505 R515 I522 I549 M553 | S504-C507 VanDerWaalsContact O-CB 3.29Å; S504-C507 WeakPolarHBondContact O-CB 3.28Å; S504-C507 PolarHBondContact O-N 3.23Å; S504-C507 VanDerWaalsContact O-N 3.14Å; S504-C507 PolarHBondContact O-SG 2.94Å; S504-C507 VanDerWaalsContact O-SG 3.37Å; L505-C507 PolarHBondContact O-N 3.07Å; C507-R515 WeakPolarHBondContact O-CD 3.26Å; C507-R515 VanDerWaalsContact O-CG 3.31Å; C507-R515 WeakPolarHBondContact O-CG 3.49Å; C507-I522 VanDerWaalsContact SG-CD1 3.57Å; C507-I549 HydrophobicContact CB-CG2 3.73Å; C507-M553 HydrophobicContact CB-SD 4.47Å |
| 508 | S | 85.4 | Confident | 88.7 | Confident | 96 Ų | 96 | 36.3 Ų | 36.3 | 67% | 0.671 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -99.9 | 6.5 | 176.2 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | L505 F506 | L505-S508 PolarHBondContact O-N 2.75Å; L505-S508 PolarHBondContact O-OG 3Å; F506-S508 PolarHBondContact O-N 2.66Å |
| 509 | H | 89.9 | Confident | 89.2 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 13% | 0.125 | 20% | 0.196 | C | C | . | . | trans | -63.8 | 153.4 | -178.3 | -164.2 | -97.2 | 0 | 0 | 0 | 113.1 | D462 F506 D511 V514 R515 | D462-H509 IonicContact OD1-CE1 3.93Å; D462-H509 IonicContact OD1-NE2 2.77Å; D462-H509 PolarHBondContact OD1-NE2 2.67Å; D462-H509 IonicContact OD2-CE1 3.7Å; D462-H509 PolarHBondContact OD2-CE1 3.37Å; D462-H509 IonicContact OD2-NE2 2.89Å; F506-H509 VanDerWaalsContact O-CB 3.25Å; F506-H509 WeakPolarHBondContact O-CB 3.45Å; F506-H509 PolarHBondContact O-N 3.26Å; F506-H509 VanDerWaalsContact O-N 3.15Å; H509-D511 WeakPolarHBondContact ND1-CB 3.42Å; H509-D511 PolarHBondContact ND1-N 3.33Å; H509-D511 VanDerWaalsContact ND1-N 3.17Å; H509-D511 PolarHBondContact O-N 2.71Å; H509-V514 HydrophobicContact CB-CB 4.29Å; H509-V514 HydrophobicContact CB-CG1 3.94Å; H509-R515 HydrophobicContact CB-CG 4.05Å; H509-R515 WeakPolarHBondContact O-CD 3.03Å; H509-R515 WeakPolarHBondContact O-CG 3.48Å; H509-R515 PolarHBondContact O-NE 3.04Å | ||
| 510 | N | 86.3 | Confident | 89.5 | Confident | 149 Ų | 149 | 32.7 Ų | 32.7 | 80% | 0.797 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -65.3 | -42.4 | -179.6 | -68.1 | -27.8 | 0 | 0 | 0 | 112.3 | R515 | N510-R515 PolarHBondContact O-NH2 3.49Š|
| 511 | D | 89.5 | Confident | 89.8 | Confident | 53 Ų | 53 | 32.6 Ų | 32.6 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -70.3 | 123.4 | 179.5 | -170.6 | -54.1 | 0 | 0 | 0 | 112.1 | H509 Q513 V514 R515 | H509-D511 WeakPolarHBondContact ND1-CB 3.42Å; H509-D511 PolarHBondContact ND1-N 3.33Å; H509-D511 VanDerWaalsContact ND1-N 3.17Å; H509-D511 PolarHBondContact O-N 2.71Å; D511-Q513 VanDerWaalsContact C-N 3.3Å; D511-Q513 PolarHBondContact O-N 2.85Å; D511-Q513 WeakPolarHBondContact OD1-CA 3.49Å; D511-Q513 VanDerWaalsContact OD1-CB 3.23Å; D511-Q513 WeakPolarHBondContact OD1-CB 3.31Å; D511-Q513 PolarHBondContact OD1-N 2.99Å; D511-V514 HydrophobicContact CB-CB 4.2Å; D511-V514 HydrophobicContact CB-CG2 3.85Å; D511-V514 PolarHBondContact O-N 2.65Å; D511-V514 PolarHBondContact OD1-N 2.95Å; D511-R515 WeakPolarHBondContact O-CG 3.49Å; D511-R515 PolarHBondContact O-N 3.01Å; D511-R515 VanDerWaalsContact O-N 3.15Å |
| 512 | P | 89.9 | Confident | 90.1 | Very high | 43 Ų | 43 | 31.9 Ų | 31.9 | 28% | 0.279 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.5 | -25.9 | -178.8 | 27.4 | -34.2 | 0 | 0 | 0 | 114.2 | G516 S558 T561 | P512-G516 PolarHBondContact O-N 2.91Å; P512-S558 WeakPolarHBondContact CB-OG 3.1Å; P512-T561 WeakPolarHBondContact CB-OG1 3Å; P512-T561 PolarHBondContact O-OG1 3.49Å |
| 513 | Q | 89.1 | Confident | 90.2 | Very high | 119 Ų | 119 | 30.9 Ų | 30.9 | 56% | 0.556 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -76.5 | -39.3 | 178.3 | -164.4 | 171.2 | 9 | 0 | 0 | 111.1 | V471 D511 G516 S517 | V471-Q513 HydrophobicContact CG1-CG 4.48Å; V471-Q513 HydrophobicContact CG2-CB 4.43Å; V471-Q513 HydrophobicContact CG2-CG 4.09Å; D511-Q513 VanDerWaalsContact C-N 3.3Å; D511-Q513 PolarHBondContact O-N 2.85Å; D511-Q513 WeakPolarHBondContact OD1-CA 3.49Å; D511-Q513 VanDerWaalsContact OD1-CB 3.23Å; D511-Q513 WeakPolarHBondContact OD1-CB 3.31Å; D511-Q513 PolarHBondContact OD1-N 2.99Å; Q513-G516 PolarHBondContact O-N 3.33Å; Q513-S517 PolarHBondContact O-N 3.03Å; Q513-S517 PolarHBondContact O-OG 3.4Å |
| 514 | V | 91.7 | Very high | 90 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 172.1 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | A467 V471 L474 F506 H509 D511 G516 S517 A518 | A467-V514 HydrophobicContact CB-CG2 3.97Å; V471-V514 HydrophobicContact CG2-CG2 3.86Å; L474-V514 HydrophobicContact CD1-CG1 4.1Å; F506-V514 HydrophobicContact CB-CG1 4.31Å; F506-V514 HydrophobicContact CD1-CG1 3.78Å; F506-V514 HydrophobicContact CG-CG1 4.4Å; H509-V514 HydrophobicContact CB-CB 4.29Å; H509-V514 HydrophobicContact CB-CG1 3.94Å; D511-V514 HydrophobicContact CB-CB 4.2Å; D511-V514 HydrophobicContact CB-CG2 3.85Å; D511-V514 PolarHBondContact O-N 2.65Å; D511-V514 PolarHBondContact OD1-N 2.95Å; V514-G516 VanDerWaalsContact C-N 3.32Å; V514-G516 PolarHBondContact O-N 3.23Å; V514-S517 PolarHBondContact O-N 3.34Å; V514-A518 PolarHBondContact O-N 3.43Å |
| 515 | R | 91.8 | Very high | 90.1 | Very high | 48 Ų | 48 | 30.3 Ų | 30.3 | 18% | 0.181 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.3 | -45.3 | 174.1 | -77.7 | -166.6 | -76.2 | -173.7 | -2 | 112.5 | C507 H509 N510 D511 A518 S519 M553 N556 T561 | C507-R515 WeakPolarHBondContact O-CD 3.26Å; C507-R515 VanDerWaalsContact O-CG 3.31Å; C507-R515 WeakPolarHBondContact O-CG 3.49Å; H509-R515 HydrophobicContact CB-CG 4.05Å; H509-R515 WeakPolarHBondContact O-CD 3.03Å; H509-R515 WeakPolarHBondContact O-CG 3.48Å; H509-R515 PolarHBondContact O-NE 3.04Å; N510-R515 PolarHBondContact O-NH2 3.49Å; D511-R515 WeakPolarHBondContact O-CG 3.49Å; D511-R515 PolarHBondContact O-N 3.01Å; D511-R515 VanDerWaalsContact O-N 3.15Å; R515-A518 PolarHBondContact O-N 3.16Å; R515-S519 PolarHBondContact O-N 3.08Å; R515-M553 HydrophobicContact CB-CE 3.79Å; R515-M553 HydrophobicContact CG-CE 4.43Å; R515-N556 PolarHBondContact NH1-ND2 3.03Å; R515-T561 HydrophobicContact CB-CG2 4.29Å |
| 516 | G | 89.2 | Confident | 90.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P512 Q513 V514 A518 S519 L520 C564 | P512-G516 PolarHBondContact O-N 2.91Å; Q513-G516 PolarHBondContact O-N 3.33Å; V514-G516 VanDerWaalsContact C-N 3.32Å; V514-G516 PolarHBondContact O-N 3.23Å; G516-A518 PolarHBondContact O-N 3.09Å; G516-S519 PolarHBondContact O-N 2.72Å; G516-S519 PolarHBondContact O-OG 3.11Å; G516-L520 WeakPolarHBondContact O-CG 3.47Å; G516-L520 PolarHBondContact O-N 2.77Å; G516-C564 VanDerWaalsContact CA-CB 3.44Å |
| 517 | S | 92.5 | Very high | 89.8 | Confident | 17 Ų | 17 | 29.9 Ų | 29.9 | 12% | 0.119 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 177.8 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | Q513 V514 S519 L520 M521 | Q513-S517 PolarHBondContact O-N 3.03Å; Q513-S517 PolarHBondContact O-OG 3.4Å; V514-S517 PolarHBondContact O-N 3.34Å; S517-S519 VanDerWaalsContact C-N 3.31Å; S517-S519 PolarHBondContact O-N 2.62Å; S517-L520 PolarHBondContact O-N 3.08Å; S517-M521 PolarHBondContact O-N 3.07Å |
| 518 | A | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L474 F506 V514 R515 G516 L520 M521 I522 | L474-A518 HydrophobicContact CD1-CB 4.23Å; F506-A518 HydrophobicContact CB-CB 3.82Å; V514-A518 PolarHBondContact O-N 3.43Å; R515-A518 PolarHBondContact O-N 3.16Å; G516-A518 PolarHBondContact O-N 3.09Å; A518-L520 PolarHBondContact O-N 2.93Å; A518-M521 WeakPolarHBondContact O-CB 3.34Å; A518-M521 PolarHBondContact O-N 3.3Å; A518-I522 WeakPolarHBondContact O-CG1 3.49Å; A518-I522 PolarHBondContact O-N 2.9Å; A518-I522 VanDerWaalsContact O-N 3.11Å |
| 519 | S | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 174.8 | 79 | 0 | 0 | 0 | 0 | 112.3 | R515 G516 S517 M521 I522 G523 A568 | R515-S519 PolarHBondContact O-N 3.08Å; G516-S519 PolarHBondContact O-N 2.72Å; G516-S519 PolarHBondContact O-OG 3.11Å; S517-S519 VanDerWaalsContact C-N 3.31Å; S517-S519 PolarHBondContact O-N 2.62Å; S519-M521 PolarHBondContact O-N 3.29Å; S519-I522 PolarHBondContact O-N 3.43Å; S519-G523 PolarHBondContact O-N 2.81Å; S519-A568 WeakPolarHBondContact O-CB 3.22Å |
| 520 | L | 93.2 | Very high | 88.6 | Confident | 19 Ų | 19 | 27.2 Ų | 27.2 | 10% | 0.099 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 178.3 | -70 | 177.5 | 0 | 0 | 0 | 112.4 | G516 S517 A518 G523 A524 C564 K567 | G516-L520 WeakPolarHBondContact O-CG 3.47Å; G516-L520 PolarHBondContact O-N 2.77Å; S517-L520 PolarHBondContact O-N 3.08Å; A518-L520 PolarHBondContact O-N 2.93Å; L520-G523 PolarHBondContact O-N 3.49Å; L520-A524 WeakPolarHBondContact O-CB 3.1Å; L520-A524 PolarHBondContact O-N 2.92Å; L520-C564 HydrophobicContact CD2-CB 4.47Å; L520-C564 WeakPolarHBondContact CD2-O 3.47Å; L520-C564 HydrophobicContact CG-CB 4.22Å; L520-K567 HydrophobicContact CD2-CB 3.73Å; L520-K567 HydrophobicContact CD2-CD 3.97Å; L520-K567 HydrophobicContact CD2-CG 3.46Å; L520-K567 VanDerWaalsContact CD2-CG 3.46Å |
| 521 | M | 93.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.4 | -49.6 | 173.9 | 176.2 | -164.5 | 75.7 | 0 | 0 | 111 | L474 F477 E478 F481 F488 L503 S517 A518 S519 G523 A524 M525 | L474-M521 HydrophobicContact CD2-CE 4.4Å; L474-M521 HydrophobicContact CD2-SD 3.72Å; F477-M521 HydrophobicContact CB-CG 4.05Å; F477-M521 HydrophobicContact CB-SD 3.75Å; E478-M521 HydrophobicContact CB-CB 4.42Å; F481-M521 HydrophobicContact CD2-CG 3.55Å; F481-M521 HydrophobicContact CD2-SD 4.03Å; F481-M521 HydrophobicContact CE2-CE 4.46Å; F481-M521 HydrophobicContact CE2-CG 3.85Å; F481-M521 HydrophobicContact CE2-SD 3.66Å; F488-M521 HydrophobicContact CE2-CE 4.43Å; L503-M521 HydrophobicContact CB-CE 3.79Å; L503-M521 HydrophobicContact CB-SD 4.25Å; L503-M521 HydrophobicContact CD1-SD 4.21Å; S517-M521 PolarHBondContact O-N 3.07Å; A518-M521 WeakPolarHBondContact O-CB 3.34Å; A518-M521 PolarHBondContact O-N 3.3Å; S519-M521 PolarHBondContact O-N 3.29Å; M521-G523 VanDerWaalsContact C-N 3.35Å; M521-G523 PolarHBondContact O-N 3.06Å; M521-A524 PolarHBondContact O-N 2.67Å; M521-M525 WeakPolarHBondContact O-CB 3.44Å; M521-M525 PolarHBondContact O-N 2.92Å |
| 522 | I | 91.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 175.7 | -66 | 167.3 | 0 | 0 | 0 | 110.6 | C507 A518 S519 A524 M525 L526 L546 I549 L550 | C507-I522 VanDerWaalsContact SG-CD1 3.57Å; A518-I522 WeakPolarHBondContact O-CG1 3.49Å; A518-I522 PolarHBondContact O-N 2.9Å; A518-I522 VanDerWaalsContact O-N 3.11Å; S519-I522 PolarHBondContact O-N 3.43Å; I522-A524 VanDerWaalsContact C-N 3.34Å; I522-A524 PolarHBondContact O-N 3.13Å; I522-M525 PolarHBondContact O-N 3.16Å; I522-L526 HydrophobicContact CG2-CD1 3.83Å; I522-L526 HydrophobicContact CG2-CG 4.23Å; I522-L526 VanDerWaalsContact O-CG 3.32Å; I522-L526 WeakPolarHBondContact O-CG 3.17Å; I522-L526 PolarHBondContact O-N 3.4Å; I522-L546 HydrophobicContact CD1-CD2 4.04Å; I522-L546 HydrophobicContact CG1-CD2 4.24Å; I522-L546 HydrophobicContact CG2-CB 4.41Å; I522-L546 HydrophobicContact CG2-CD1 4.47Å; I522-L546 HydrophobicContact CG2-CD2 3.9Å; I522-L546 HydrophobicContact CG2-CG 4.49Å; I522-I549 HydrophobicContact CD1-CG2 4.38Å; I522-L550 HydrophobicContact CB-CD2 4.48Å; I522-L550 HydrophobicContact CG2-CD1 4Å; I522-L550 HydrophobicContact CG2-CD2 4.28Å; I522-L550 HydrophobicContact CG2-CG 4.15Å |
| 523 | G | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S519 L520 M521 Q527 R571 | S519-G523 PolarHBondContact O-N 2.81Å; L520-G523 PolarHBondContact O-N 3.49Å; M521-G523 VanDerWaalsContact C-N 3.35Å; M521-G523 PolarHBondContact O-N 3.06Å; G523-Q527 WeakPolarHBondContact O-CB 3.47Å; G523-Q527 PolarHBondContact O-N 3.5Å; G523-Q527 VanDerWaalsContact O-N 3.12Å; G523-R571 WeakPolarHBondContact O-CB 3.26Å |
| 524 | A | 87.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.4 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E478 L520 M521 I522 Q527 S528 | E478-A524 HydrophobicContact CG-CB 3.72Å; E478-A524 WeakPolarHBondContact O-CB 3.3Å; L520-A524 WeakPolarHBondContact O-CB 3.1Å; L520-A524 PolarHBondContact O-N 2.92Å; M521-A524 PolarHBondContact O-N 2.67Å; I522-A524 VanDerWaalsContact C-N 3.34Å; I522-A524 PolarHBondContact O-N 3.13Å; A524-Q527 PolarHBondContact O-N 3.21Å; A524-S528 PolarHBondContact O-N 3.35Å; A524-S528 PolarHBondContact O-OG 3Å |
| 525 | M | 89.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 176.5 | -176 | -150 | 70.3 | 0 | 0 | 112.2 | F481 P485 F488 M521 I522 S528 S529 L538 L546 | F481-M525 HydrophobicContact CB-CB 3.8Å; F481-M525 HydrophobicContact CB-CG 4.08Å; F481-M525 HydrophobicContact CG-CB 4.4Å; F481-M525 HydrophobicContact CG-CG 4.41Å; P485-M525 HydrophobicContact CB-CG 4.18Å; F488-M525 HydrophobicContact CB-CG 4.3Å; F488-M525 HydrophobicContact CB-SD 3.57Å; F488-M525 VanDerWaalsContact CB-SD 3.57Å; F488-M525 HydrophobicContact CD1-CE 4.47Å; F488-M525 HydrophobicContact CD1-SD 3.47Å; F488-M525 WeakPolarHBondContact CD1-SD 3.25Å; F488-M525 HydrophobicContact CD2-SD 3.54Å; F488-M525 VanDerWaalsContact CD2-SD 3.54Å; F488-M525 HydrophobicContact CE1-SD 3.97Å; F488-M525 HydrophobicContact CE2-SD 4.03Å; F488-M525 HydrophobicContact CG-CG 4.46Å; F488-M525 HydrophobicContact CG-SD 3.22Å; F488-M525 WeakPolarHBondContact CG-SD 2.84Å; F488-M525 HydrophobicContact CZ-SD 4.21Å; M521-M525 WeakPolarHBondContact O-CB 3.44Å; M521-M525 PolarHBondContact O-N 2.92Å; I522-M525 PolarHBondContact O-N 3.16Å; M525-S528 WeakPolarHBondContact CA-OG 3.24Å; M525-S528 PolarHBondContact O-N 3.44Å; M525-S528 PolarHBondContact O-OG 2.63Å; M525-S529 VanDerWaalsContact O-CB 3.3Å; M525-S529 WeakPolarHBondContact O-CB 3.29Å; M525-S529 PolarHBondContact O-N 3.36Å; M525-S529 PolarHBondContact O-OG 2.99Å; M525-L538 HydrophobicContact CE-CD1 4.2Å; M525-L538 HydrophobicContact CE-CD2 3.82Å; M525-L538 HydrophobicContact SD-CD2 4.09Å; M525-L546 HydrophobicContact CE-CD1 3.56Å |
| 526 | L | 88.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 177.8 | -70.1 | 173.5 | 0 | 0 | 0 | 111.2 | I522 S529 F530 L538 L546 L550 A572 L575 F576 | I522-L526 HydrophobicContact CG2-CD1 3.83Å; I522-L526 HydrophobicContact CG2-CG 4.23Å; I522-L526 VanDerWaalsContact O-CG 3.32Å; I522-L526 WeakPolarHBondContact O-CG 3.17Å; I522-L526 PolarHBondContact O-N 3.4Å; L526-S529 PolarHBondContact O-N 3.46Å; L526-F530 PolarHBondContact O-N 3.27Å; L526-L538 HydrophobicContact CD2-CD1 4.01Å; L526-L546 HydrophobicContact CD2-CD1 4.03Å; L526-L550 HydrophobicContact CD1-CD1 3.78Å; L526-A572 HydrophobicContact CB-CB 4Å; L526-A572 HydrophobicContact CD1-CB 3.76Å; L526-L575 HydrophobicContact CB-CD1 4.3Å; L526-L575 HydrophobicContact CD2-CD1 4.16Å; L526-L575 HydrophobicContact CD2-CD2 4.44Å; L526-L575 WeakPolarHBondContact O-CD1 3.21Å; L526-F576 HydrophobicContact CD1-CE1 4.33Å; L526-F576 HydrophobicContact CD1-CE2 4Å; L526-F576 HydrophobicContact CD1-CZ 3.55Å |
| 527 | Q | 85.3 | Confident | 81.2 | Confident | 41 Ų | 41 | 33.7 Ų | 33.7 | 19% | 0.192 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 176 | 179.9 | 171.9 | 70.1 | 0 | 0 | 112.4 | G523 A524 F530 R531 R571 | G523-Q527 WeakPolarHBondContact O-CB 3.47Å; G523-Q527 PolarHBondContact O-N 3.5Å; G523-Q527 VanDerWaalsContact O-N 3.12Å; A524-Q527 PolarHBondContact O-N 3.21Å; Q527-F530 PolarHBondContact O-N 2.74Å; Q527-R531 WeakPolarHBondContact O-CG 3.36Å; Q527-R531 PolarHBondContact O-N 2.77Å; Q527-R571 HydrophobicContact CB-CB 4.06Å; Q527-R571 WeakPolarHBondContact CB-O 3.14Å |
| 528 | S | 80.3 | Confident | 80.2 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 4% | 0.035 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.5 | -41.8 | 177.8 | 58.4 | 0 | 0 | 0 | 0 | 111.3 | F481 P485 A524 M525 F530 R531 R532 | F481-S528 WeakPolarHBondContact O-CB 3.25Å; F481-S528 PolarHBondContact O-OG 2.97Å; P485-S528 WeakPolarHBondContact CB-OG 3.43Å; A524-S528 PolarHBondContact O-N 3.35Å; A524-S528 PolarHBondContact O-OG 3Å; M525-S528 WeakPolarHBondContact CA-OG 3.24Å; M525-S528 PolarHBondContact O-N 3.44Å; M525-S528 PolarHBondContact O-OG 2.63Å; S528-F530 VanDerWaalsContact C-N 3.28Å; S528-F530 PolarHBondContact O-N 2.95Å; S528-R531 PolarHBondContact O-N 3.39Å; S528-R531 VanDerWaalsContact O-N 3.14Å; S528-R532 WeakPolarHBondContact O-CB 3.46Å; S528-R532 WeakPolarHBondContact O-CG 3.39Å; S528-R532 PolarHBondContact O-N 3.04Å |
| 529 | S | 82.2 | Confident | 79.2 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.7 | -42.1 | 176 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | P485 M525 L526 R533 E534 | P485-S529 VanDerWaalsContact CB-OG 3.28Å; P485-S529 WeakPolarHBondContact CB-OG 3.3Å; M525-S529 VanDerWaalsContact O-CB 3.3Å; M525-S529 WeakPolarHBondContact O-CB 3.29Å; M525-S529 PolarHBondContact O-N 3.36Å; M525-S529 PolarHBondContact O-OG 2.99Å; L526-S529 PolarHBondContact O-N 3.46Å; S529-R533 WeakPolarHBondContact O-CA 3.3Å; S529-R533 PolarHBondContact O-N 3.02Å; S529-E534 PolarHBondContact O-N 3.27Å |
| 530 | F | 73.8 | Confident | 78.2 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 32% | 0.316 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66 | -48.1 | 174.6 | 178.6 | -106.5 | 0 | 0 | 0 | 112.5 | L526 Q527 S528 R532 R533 P574 L575 A578 | L526-F530 PolarHBondContact O-N 3.27Å; Q527-F530 PolarHBondContact O-N 2.74Å; S528-F530 VanDerWaalsContact C-N 3.28Å; S528-F530 PolarHBondContact O-N 2.95Å; F530-R532 PolarHBondContact O-N 3.42Å; F530-R533 PolarHBondContact O-N 3.32Å; F530-P574 HydrophobicContact CD1-CB 3.77Å; F530-P574 HydrophobicContact CE1-CB 3.57Å; F530-P574 WeakPolarHBondContact CE2-O 3.44Å; F530-P574 HydrophobicContact CG-CB 4.42Å; F530-P574 HydrophobicContact CZ-CB 4.07Å; F530-L575 HydrophobicContact CB-CB 3.82Å; F530-L575 HydrophobicContact CB-CD1 3.95Å; F530-L575 HydrophobicContact CB-CG 4.14Å; F530-L575 HydrophobicContact CD2-CB 4.22Å; F530-L575 HydrophobicContact CG-CB 4.23Å; F530-A578 HydrophobicContact CE2-CB 3.86Å |
| 531 | R | 68.5 | Low | 77.3 | Confident | 119 Ų | 119 | 42.9 Ų | 42.9 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -35.3 | 179.4 | -74.7 | 177.4 | 178.9 | 170.3 | 1.7 | 112.4 | Q527 S528 | Q527-R531 WeakPolarHBondContact O-CG 3.36Å; Q527-R531 PolarHBondContact O-N 2.77Å; S528-R531 PolarHBondContact O-N 3.39Å; S528-R531 VanDerWaalsContact O-N 3.14Å |
| 532 | R | 68.1 | Low | 76.6 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -88.8 | -11.7 | 179.1 | -66.1 | -157.2 | 166.2 | 161.2 | 5.7 | 115.2 | L483 S528 F530 E534 V1397 | L483-R532 PolarHBondContact O-NH1 3.48Å; L483-R532 PolarHBondContact O-NH2 3.36Å; S528-R532 WeakPolarHBondContact O-CB 3.46Å; S528-R532 WeakPolarHBondContact O-CG 3.39Å; S528-R532 PolarHBondContact O-N 3.04Å; F530-R532 PolarHBondContact O-N 3.42Å; R532-E534 HydrophobicContact CB-CG 4.15Å; R532-E534 PolarHBondContact O-N 3.35Å; R532-V1397 HydrophobicContact CB-CG1 3.96Å; R532-V1397 HydrophobicContact CG-CG1 3.75Å; R532-V1397 WeakPolarHBondContact CG-O 2.91Å; R532-V1397 PolarHBondContact NE-O 2.77Å |
| 533 | R | 63.5 | Low | 76.3 | Confident | 74 Ų | 74 | 44.6 Ų | 44.6 | 28% | 0.279 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 28.8 | -174.9 | -51 | 174.6 | 174 | -154.1 | 1.8 | 114.2 | S529 F530 V535 K1449 S1452 T1453 | S529-R533 WeakPolarHBondContact O-CA 3.3Å; S529-R533 PolarHBondContact O-N 3.02Å; F530-R533 PolarHBondContact O-N 3.32Å; R533-V535 PolarHBondContact O-N 3.23Å; R533-K1449 VanDerWaalsContact NH1-C 3.33Å; R533-K1449 PolarHBondContact NH1-O 3.17Å; R533-K1449 PolarHBondContact NH2-O 3.22Å; R533-S1452 VanDerWaalsContact CZ-OG 3.22Å; R533-S1452 PolarHBondContact NH2-OG 3.48Å; R533-T1453 PolarHBondContact NH2-OG1 3.44Å |
| 534 | E | 69 | Low | 75.9 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | trans | -87.1 | 35.5 | 173.5 | -69.2 | 175.9 | -162.4 | 0 | 0 | 110.9 | S486 S529 R532 D536 V537 | S486-E534 PolarHBondContact N-OE2 2.89Å; S529-E534 PolarHBondContact O-N 3.27Å; R532-E534 HydrophobicContact CB-CG 4.15Å; R532-E534 PolarHBondContact O-N 3.35Å; E534-D536 VanDerWaalsContact C-N 3.28Å; E534-D536 PolarHBondContact O-N 3.01Å; E534-V537 HydrophobicContact CB-CB 4.37Å; E534-V537 HydrophobicContact CB-CG2 3.84Å; E534-V537 HydrophobicContact CG-CG2 4.33Å; E534-V537 WeakPolarHBondContact O-CB 3.31Å; E534-V537 PolarHBondContact O-N 3.39Å | ||
| 535 | V | 67.6 | Low | 75.7 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.9 | -34.9 | -177.4 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | R533 V537 L538 L543 L575 V579 | R533-V535 PolarHBondContact O-N 3.23Å; V535-V537 PolarHBondContact O-N 3.23Å; V535-L538 PolarHBondContact O-N 3.01Å; V535-L543 HydrophobicContact CG1-CD1 3.99Å; V535-L575 HydrophobicContact CG2-CD1 4.46Å; V535-V579 HydrophobicContact CG1-CG2 3.68Å |
| 536 | D | 67.1 | Low | 75.6 | Confident | 155 Ų | 155 | 51.6 Ų | 51.6 | 83% | 0.829 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.6 | -27 | 177.5 | -63.4 | -25.2 | 0 | 0 | 0 | 112.5 | E534 L538 G539 | E534-D536 VanDerWaalsContact C-N 3.28Å; E534-D536 PolarHBondContact O-N 3.01Å; D536-L538 VanDerWaalsContact C-N 3.32Å; D536-L538 PolarHBondContact O-N 3.25Å; D536-G539 PolarHBondContact O-N 3.35Å |
| 537 | V | 68.9 | Low | 75.6 | Confident | 70 Ų | 70 | 52 Ų | 52 | 42% | 0.424 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.8 | -34.1 | -179.4 | -177 | 0 | 0 | 0 | 0 | 111.3 | V489 E534 V535 | V489-V537 HydrophobicContact CG2-CG1 4.12Å; E534-V537 HydrophobicContact CB-CB 4.37Å; E534-V537 HydrophobicContact CB-CG2 3.84Å; E534-V537 HydrophobicContact CG-CG2 4.33Å; E534-V537 WeakPolarHBondContact O-CB 3.31Å; E534-V537 PolarHBondContact O-N 3.39Å; V535-V537 PolarHBondContact O-N 3.23Å |
| 538 | L | 70.7 | Confident | 75.7 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.1 | -31.8 | 178.6 | -66.2 | 170.3 | 0 | 0 | 0 | 111.6 | F488 M525 L526 V535 D536 L542 L543 | F488-L538 HydrophobicContact CD1-CD2 4.29Å; M525-L538 HydrophobicContact CE-CD1 4.2Å; M525-L538 HydrophobicContact CE-CD2 3.82Å; M525-L538 HydrophobicContact SD-CD2 4.09Å; L526-L538 HydrophobicContact CD2-CD1 4.01Å; V535-L538 PolarHBondContact O-N 3.01Å; D536-L538 VanDerWaalsContact C-N 3.32Å; D536-L538 PolarHBondContact O-N 3.25Å; L538-L542 HydrophobicContact CB-CD2 4.04Å; L538-L542 HydrophobicContact CD2-CD2 3.66Å; L538-L542 HydrophobicContact CG-CD2 4.43Å; L538-L542 WeakPolarHBondContact O-CB 3.35Å; L538-L543 HydrophobicContact CB-CD1 4.2Å; L538-L543 HydrophobicContact CD1-CD1 4.08Å |
| 539 | G | 71 | Confident | 76 | Confident | 28 Ų | 28 | 57.2 Ų | 57.2 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | trans | 72 | 151 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | D536 S541 L543 | D536-G539 PolarHBondContact O-N 3.35Å; G539-S541 VanDerWaalsContact C-N 3.34Å; G539-S541 PolarHBondContact O-N 3.13Å; G539-L543 WeakPolarHBondContact O-CB 3.45Å; G539-L543 PolarHBondContact O-N 3.07Å | ||
| 540 | S | 72.2 | Confident | 76.4 | Confident | 97 Ų | 97 | 57.1 Ų | 57.1 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.4 | -35.4 | -174.5 | 54.8 | 0 | 0 | 0 | 0 | 114 | D544 | S540-D544 PolarHBondContact O-N 3.09Å; S540-D544 VanDerWaalsContact O-N 3.13Å |
| 541 | S | 74.5 | Confident | 77 | Confident | 93 Ų | 93 | 54.2 Ų | 54.2 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68 | -44 | -178.8 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | G539 L543 D544 L545 | G539-S541 VanDerWaalsContact C-N 3.34Å; G539-S541 PolarHBondContact O-N 3.13Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-D544 PolarHBondContact O-N 3.32Å; S541-L545 PolarHBondContact O-N 3.04Å; S541-L545 VanDerWaalsContact O-N 3.16Å |
| 542 | L | 79.8 | Confident | 77.9 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 18% | 0.178 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69 | -36.2 | 179 | -171.6 | 123 | 0 | 0 | 0 | 110.7 | F488 L538 D544 L545 L546 | F488-L542 HydrophobicContact CD1-CD2 4.39Å; F488-L542 HydrophobicContact CE1-CD1 4.43Å; F488-L542 HydrophobicContact CE1-CD2 4.04Å; L538-L542 HydrophobicContact CB-CD2 4.04Å; L538-L542 HydrophobicContact CD2-CD2 3.66Å; L538-L542 HydrophobicContact CG-CD2 4.43Å; L538-L542 WeakPolarHBondContact O-CB 3.35Å; L542-D544 VanDerWaalsContact C-N 3.33Å; L542-D544 PolarHBondContact O-N 3.48Å; L542-L545 WeakPolarHBondContact O-CB 3.32Å; L542-L545 PolarHBondContact O-N 3.23Å; L542-L546 HydrophobicContact CD2-CD1 3.7Å; L542-L546 HydrophobicContact CD2-CG 4.34Å; L542-L546 HydrophobicContact CG-CD1 4.45Å; L542-L546 VanDerWaalsContact O-CG 3.32Å; L542-L546 WeakPolarHBondContact O-CG 3.25Å; L542-L546 PolarHBondContact O-N 3.13Å |
| 543 | L | 83.8 | Confident | 78.7 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 178 | -144.7 | 134.2 | 0 | 0 | 0 | 112 | V535 L538 G539 S541 L546 F547 L575 F576 V579 | V535-L543 HydrophobicContact CG1-CD1 3.99Å; L538-L543 HydrophobicContact CB-CD1 4.2Å; L538-L543 HydrophobicContact CD1-CD1 4.08Å; G539-L543 WeakPolarHBondContact O-CB 3.45Å; G539-L543 PolarHBondContact O-N 3.07Å; S541-L543 VanDerWaalsContact C-N 3.33Å; L543-L546 PolarHBondContact O-N 3.48Å; L543-F547 PolarHBondContact O-N 3.47Å; L543-L575 HydrophobicContact CD1-CD2 3.98Å; L543-L575 HydrophobicContact CD2-CD2 3.72Å; L543-L575 HydrophobicContact CG-CD2 4.15Å; L543-F576 HydrophobicContact CD2-CD1 4.06Å; L543-F576 HydrophobicContact CD2-CE1 3.93Å; L543-V579 HydrophobicContact CD2-CB 4.24Å; L543-V579 HydrophobicContact CD2-CG1 4.05Å |
| 544 | D | 81.1 | Confident | 79.8 | Confident | 55 Ų | 55 | 46.2 Ų | 46.2 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 171.4 | -100.5 | -26.7 | 0 | 0 | 0 | 112.4 | S540 S541 L542 F547 H548 Q580 K583 | S540-D544 PolarHBondContact O-N 3.09Å; S540-D544 VanDerWaalsContact O-N 3.13Å; S541-D544 PolarHBondContact O-N 3.32Å; L542-D544 VanDerWaalsContact C-N 3.33Å; L542-D544 PolarHBondContact O-N 3.48Å; D544-F547 PolarHBondContact O-N 2.93Å; D544-H548 PolarHBondContact O-N 3.16Å; D544-Q580 VanDerWaalsContact CG-NE2 3.27Å; D544-Q580 VanDerWaalsContact OD1-CD 3.27Å; D544-Q580 PolarHBondContact OD1-NE2 3.48Å; D544-Q580 PolarHBondContact OD1-OE1 3.48Å; D544-Q580 VanDerWaalsContact OD1-OE1 3.06Å; D544-K583 IonicContact OD1-NZ 2.93Å; D544-K583 PolarHBondContact OD1-NZ 3.37Å; D544-K583 IonicContact OD2-NZ 3.26Å |
| 545 | L | 84.7 | Confident | 80.5 | Confident | 95 Ų | 95 | 49.5 Ų | 49.5 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 176.6 | 179.1 | 66.3 | 0 | 0 | 0 | 111.2 | S541 L542 F547 H548 I549 | S541-L545 PolarHBondContact O-N 3.04Å; S541-L545 VanDerWaalsContact O-N 3.16Å; L542-L545 WeakPolarHBondContact O-CB 3.32Å; L542-L545 PolarHBondContact O-N 3.23Å; L545-F547 VanDerWaalsContact C-N 3.34Å; L545-F547 PolarHBondContact O-N 3.28Å; L545-H548 WeakPolarHBondContact O-CB 3.45Å; L545-H548 PolarHBondContact O-N 3.28Å; L545-H548 VanDerWaalsContact O-N 3.16Å; L545-I549 HydrophobicContact CD1-CD1 4.27Å; L545-I549 HydrophobicContact CD1-CG1 4.49Å; L545-I549 HydrophobicContact CG-CD1 3.94Å; L545-I549 WeakPolarHBondContact O-CG1 3.15Å; L545-I549 PolarHBondContact O-N 3.27Å |
| 546 | L | 87.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 179.5 | -67.2 | 175.6 | 0 | 0 | 0 | 112.5 | I522 M525 L526 L542 L543 I549 L550 | I522-L546 HydrophobicContact CD1-CD2 4.04Å; I522-L546 HydrophobicContact CG1-CD2 4.24Å; I522-L546 HydrophobicContact CG2-CB 4.41Å; I522-L546 HydrophobicContact CG2-CD1 4.47Å; I522-L546 HydrophobicContact CG2-CD2 3.9Å; I522-L546 HydrophobicContact CG2-CG 4.49Å; M525-L546 HydrophobicContact CE-CD1 3.56Å; L526-L546 HydrophobicContact CD2-CD1 4.03Å; L542-L546 HydrophobicContact CD2-CD1 3.7Å; L542-L546 HydrophobicContact CD2-CG 4.34Å; L542-L546 HydrophobicContact CG-CD1 4.45Å; L542-L546 VanDerWaalsContact O-CG 3.32Å; L542-L546 WeakPolarHBondContact O-CG 3.25Å; L542-L546 PolarHBondContact O-N 3.13Å; L543-L546 PolarHBondContact O-N 3.48Å; L546-I549 PolarHBondContact O-N 3.43Å; L546-L550 PolarHBondContact O-N 2.88Å |
| 547 | F | 87.6 | Confident | 82.3 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 172.8 | -178.2 | -92.7 | 0 | 0 | 0 | 111.5 | L543 D544 L545 S551 F569 F576 K583 L584 R587 | L543-F547 PolarHBondContact O-N 3.47Å; D544-F547 PolarHBondContact O-N 2.93Å; L545-F547 VanDerWaalsContact C-N 3.34Å; L545-F547 PolarHBondContact O-N 3.28Å; F547-S551 VanDerWaalsContact O-CB 3.23Å; F547-S551 WeakPolarHBondContact O-CB 3.44Å; F547-S551 PolarHBondContact O-N 3.47Å; F547-S551 PolarHBondContact O-OG 3.27Å; F547-F569 HydrophobicContact CE2-CE2 4.33Å; F547-F569 HydrophobicContact CE2-CZ 4.15Å; F547-F576 HydrophobicContact CB-CD1 4.46Å; F547-F576 HydrophobicContact CB-CE1 3.78Å; F547-F576 HydrophobicContact CB-CZ 3.93Å; F547-F576 AromaticContact CD2-CD1 3.79Å; F547-F576 HydrophobicContact CD2-CD1 3.79Å; F547-F576 AromaticContact CD2-CD2 3.88Å; F547-F576 HydrophobicContact CD2-CD2 3.88Å; F547-F576 AromaticContact CD2-CE1 3.81Å; F547-F576 HydrophobicContact CD2-CE1 3.81Å; F547-F576 AromaticContact CD2-CE2 3.87Å; F547-F576 HydrophobicContact CD2-CE2 3.87Å; F547-F576 AromaticContact CD2-CG 3.84Å; F547-F576 HydrophobicContact CD2-CG 3.84Å; F547-F576 AromaticContact CD2-CZ 3.84Å; F547-F576 HydrophobicContact CD2-CZ 3.84Å; F547-F576 HydrophobicContact CE2-CD2 4.32Å; F547-F576 HydrophobicContact CE2-CG 4.34Å; F547-F576 HydrophobicContact CG-CE1 4.3Å; F547-F576 HydrophobicContact CG-CZ 4.39Å; F547-K583 HydrophobicContact CE1-CB 3.84Å; F547-K583 HydrophobicContact CZ-CB 3.92Å; F547-K583 WeakPolarHBondContact CZ-O 3.15Å; F547-L584 HydrophobicContact CE2-CB 4.23Å; F547-L584 HydrophobicContact CE2-CD1 4.25Å; F547-R587 HydrophobicContact CZ-CB 4.06Å |
| 548 | H | 87.5 | Confident | 83.3 | Confident | 128 Ų | 128 | 49.3 Ų | 49.3 | 59% | 0.593 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 175.7 | -101 | 52.6 | 0 | 0 | 0 | 112.4 | D544 L545 S551 S552 | D544-H548 PolarHBondContact O-N 3.16Å; L545-H548 WeakPolarHBondContact O-CB 3.45Å; L545-H548 PolarHBondContact O-N 3.28Å; L545-H548 VanDerWaalsContact O-N 3.16Å; H548-S551 PolarHBondContact O-N 3.22Å; H548-S552 PolarHBondContact O-N 3.22Å; H548-S552 PolarHBondContact O-OG 3.16Å |
| 549 | I | 87.1 | Confident | 84.3 | Confident | 29 Ų | 29 | 51.5 Ų | 51.5 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.8 | -57.7 | 176.9 | -68.5 | 168.4 | 0 | 0 | 0 | 109.4 | C507 I522 L545 L546 S551 S552 M553 | C507-I549 HydrophobicContact CB-CG2 3.73Å; I522-I549 HydrophobicContact CD1-CG2 4.38Å; L545-I549 HydrophobicContact CD1-CD1 4.27Å; L545-I549 HydrophobicContact CD1-CG1 4.49Å; L545-I549 HydrophobicContact CG-CD1 3.94Å; L545-I549 WeakPolarHBondContact O-CG1 3.15Å; L545-I549 PolarHBondContact O-N 3.27Å; L546-I549 PolarHBondContact O-N 3.43Å; I549-S551 VanDerWaalsContact C-N 3.26Å; I549-S551 PolarHBondContact O-N 3.34Å; I549-S552 PolarHBondContact O-N 3.1Å; I549-S552 VanDerWaalsContact O-N 3.16Å; I549-S552 PolarHBondContact O-OG 3.15Å; I549-M553 HydrophobicContact CG2-CG 4.43Å; I549-M553 WeakPolarHBondContact O-CG 3.43Å; I549-M553 PolarHBondContact O-N 2.82Å; I549-M553 VanDerWaalsContact O-N 3.09Å |
| 550 | L | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -35.2 | -179.2 | -70.5 | 179.2 | 0 | 0 | 0 | 112.9 | I522 L526 L546 M553 T554 A568 F569 A572 F576 | I522-L550 HydrophobicContact CB-CD2 4.48Å; I522-L550 HydrophobicContact CG2-CD1 4Å; I522-L550 HydrophobicContact CG2-CD2 4.28Å; I522-L550 HydrophobicContact CG2-CG 4.15Å; L526-L550 HydrophobicContact CD1-CD1 3.78Å; L546-L550 PolarHBondContact O-N 2.88Å; L550-M553 PolarHBondContact O-N 3.4Å; L550-T554 PolarHBondContact O-N 2.96Å; L550-A568 HydrophobicContact CD2-CB 3.97Å; L550-F569 HydrophobicContact CB-CD2 4.07Å; L550-F569 HydrophobicContact CB-CE2 4.5Å; L550-A572 HydrophobicContact CD1-CB 4.35Å; L550-F576 HydrophobicContact CD1-CE2 4.1Å; L550-F576 HydrophobicContact CD1-CZ 4.33Å |
| 551 | S | 87.8 | Confident | 86.2 | Confident | 11 Ų | 11 | 49 Ų | 49 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -53.4 | 174.3 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | F547 H548 I549 M553 T554 R587 | F547-S551 VanDerWaalsContact O-CB 3.23Å; F547-S551 WeakPolarHBondContact O-CB 3.44Å; F547-S551 PolarHBondContact O-N 3.47Å; F547-S551 PolarHBondContact O-OG 3.27Å; H548-S551 PolarHBondContact O-N 3.22Å; I549-S551 VanDerWaalsContact C-N 3.26Å; I549-S551 PolarHBondContact O-N 3.34Å; S551-M553 PolarHBondContact O-N 2.6Å; S551-M553 VanDerWaalsContact O-N 3.14Å; S551-T554 PolarHBondContact O-N 3.16Å; S551-T554 PolarHBondContact O-OG1 3.21Å; S551-R587 PolarHBondContact O-NH2 2.68Å |
| 552 | S | 85.9 | Confident | 87 | Confident | 64 Ų | 64 | 44.9 Ų | 44.9 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.2 | -34.8 | 179.2 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | H548 I549 T554 E555 | H548-S552 PolarHBondContact O-N 3.22Å; H548-S552 PolarHBondContact O-OG 3.16Å; I549-S552 PolarHBondContact O-N 3.1Å; I549-S552 VanDerWaalsContact O-N 3.16Å; I549-S552 PolarHBondContact O-OG 3.15Å; S552-T554 VanDerWaalsContact C-N 3.27Å; S552-T554 PolarHBondContact O-N 3.19Å; S552-E555 PolarHBondContact O-N 3.44Å; S552-E555 VanDerWaalsContact O-N 3.15Å |
| 553 | M | 85.8 | Confident | 87.6 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.3 | -21.3 | -179.9 | -63.9 | -63.7 | -79.4 | 0 | 0 | 114 | C507 R515 I549 L550 S551 E555 N556 T561 A565 | C507-M553 HydrophobicContact CB-SD 4.47Å; R515-M553 HydrophobicContact CB-CE 3.79Å; R515-M553 HydrophobicContact CG-CE 4.43Å; I549-M553 HydrophobicContact CG2-CG 4.43Å; I549-M553 WeakPolarHBondContact O-CG 3.43Å; I549-M553 PolarHBondContact O-N 2.82Å; I549-M553 VanDerWaalsContact O-N 3.09Å; L550-M553 PolarHBondContact O-N 3.4Å; S551-M553 PolarHBondContact O-N 2.6Å; S551-M553 VanDerWaalsContact O-N 3.14Å; M553-E555 VanDerWaalsContact C-N 3.32Å; M553-N556 WeakPolarHBondContact O-CB 3.06Å; M553-T561 HydrophobicContact CE-CG2 3.17Å; M553-T561 HydrophobicContact SD-CG2 4.16Å; M553-A565 HydrophobicContact CB-CB 3.68Å |
| 554 | T | 86 | Confident | 88 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10.7 | 174.9 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | L550 S551 S552 A565 L566 R587 | L550-T554 PolarHBondContact O-N 2.96Å; S551-T554 PolarHBondContact O-N 3.16Å; S551-T554 PolarHBondContact O-OG1 3.21Å; S552-T554 VanDerWaalsContact C-N 3.27Å; S552-T554 PolarHBondContact O-N 3.19Å; T554-A565 HydrophobicContact CG2-CB 3.92Å; T554-L566 HydrophobicContact CG2-CD2 4.08Å; T554-R587 PolarHBondContact OG1-NE 3.39Å; T554-R587 PolarHBondContact OG1-NH2 3.26Å |
| 555 | E | 84.7 | Confident | 88.5 | Confident | 118 Ų | 118 | 43.4 Ų | 43.4 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 15.3 | 173.3 | -86.5 | 157 | -177.2 | 0 | 0 | 112 | S552 M553 R587 | S552-E555 PolarHBondContact O-N 3.44Å; S552-E555 VanDerWaalsContact O-N 3.15Å; M553-E555 VanDerWaalsContact C-N 3.32Å; E555-R587 VanDerWaalsContact CD-CZ 3.49Å; E555-R587 IonicContact OE1-CZ 3.43Å; E555-R587 IonicContact OE1-NH1 3.6Å; E555-R587 PolarHBondContact OE1-NH1 3.23Å; E555-R587 IonicContact OE1-NH2 3.17Å; E555-R587 PolarHBondContact OE1-NH2 2.87Å; E555-R587 IonicContact OE2-CZ 2.67Å; E555-R587 IonicContact OE2-NH1 2.82Å; E555-R587 PolarHBondContact OE2-NH1 3.03Å; E555-R587 IonicContact OE2-NH2 3.51Å; E555-R587 PolarHBondContact OE2-NH2 3.48Å |
| 556 | N | 86.9 | Confident | 88.8 | Confident | 34 Ų | 34 | 38.9 Ų | 38.9 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | trans | -72.5 | 154.2 | -177 | -158.1 | -79.2 | 0 | 0 | 0 | 112.5 | R515 M553 S558 T561 I562 | R515-N556 PolarHBondContact NH1-ND2 3.03Å; M553-N556 WeakPolarHBondContact O-CB 3.06Å; N556-S558 VanDerWaalsContact C-N 3.31Å; N556-S558 PolarHBondContact O-N 2.99Å; N556-S558 PolarHBondContact OD1-N 2.97Å; N556-S558 VanDerWaalsContact OD1-N 3.15Å; N556-T561 HydrophobicContact CB-CG2 4.09Å; N556-I562 HydrophobicContact CB-CG1 4.4Å; N556-I562 WeakPolarHBondContact O-CD1 3.31Å; N556-I562 WeakPolarHBondContact O-CG1 3.23Å | ||
| 557 | E | 86 | Confident | 89 | Confident | 195 Ų | 195 | 42.4 Ų | 42.4 | 91% | 0.911 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -66.1 | -31.6 | 176.8 | -62 | 176.5 | 179.4 | 0 | 0 | 112.9 | ||
| 558 | S | 89.8 | Confident | 89.1 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | trans | -84.4 | 120.8 | -177.8 | 176.9 | 0 | 0 | 0 | 0 | 112.5 | P512 N556 V560 T561 I562 | P512-S558 WeakPolarHBondContact CB-OG 3.1Å; N556-S558 VanDerWaalsContact C-N 3.31Å; N556-S558 PolarHBondContact O-N 2.99Å; N556-S558 PolarHBondContact OD1-N 2.97Å; N556-S558 VanDerWaalsContact OD1-N 3.15Å; S558-V560 PolarHBondContact O-N 2.62Å; S558-V560 PolarHBondContact OG-N 3.29Å; S558-T561 WeakPolarHBondContact O-CB 3.48Å; S558-T561 PolarHBondContact O-N 2.65Å; S558-T561 VanDerWaalsContact O-N 3.09Å; S558-I562 WeakPolarHBondContact O-CG1 3.24Å; S558-I562 PolarHBondContact O-N 3.13Å | ||
| 559 | N | 91.6 | Very high | 89.2 | Confident | 57 Ų | 57 | 36 Ų | 36 | 31% | 0.305 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.9 | -31 | 174.6 | -70.4 | -37.1 | 0 | 0 | 0 | 113.5 | H563 N597 Y599 V602 | N559-H563 VanDerWaalsContact O-CB 3.31Å; N559-H563 WeakPolarHBondContact O-CB 3.43Å; N559-H563 PolarHBondContact O-N 2.97Å; N559-N597 PolarHBondContact OD1-ND2 3.18Å; N559-N597 PolarHBondContact OD1-OD1 2.79Å; N559-Y599 HydrophobicContact CB-CD1 3.87Å; N559-Y599 HydrophobicContact CB-CG 4.16Å; N559-V602 HydrophobicContact CB-CG2 4.44Å |
| 560 | V | 91 | Very high | 89.4 | Confident | 73 Ų | 73 | 36.8 Ų | 36.8 | 44% | 0.442 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 110 | S558 H563 C564 | S558-V560 PolarHBondContact O-N 2.62Å; S558-V560 PolarHBondContact OG-N 3.29Å; V560-H563 PolarHBondContact O-N 3.39Å; V560-C564 PolarHBondContact O-N 2.92Å |
| 561 | T | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | 178.2 | -56 | 0 | 0 | 0 | 0 | 111.1 | P512 R515 M553 N556 S558 H563 C564 A565 | P512-T561 WeakPolarHBondContact CB-OG1 3Å; P512-T561 PolarHBondContact O-OG1 3.49Å; R515-T561 HydrophobicContact CB-CG2 4.29Å; M553-T561 HydrophobicContact CE-CG2 3.17Å; M553-T561 HydrophobicContact SD-CG2 4.16Å; N556-T561 HydrophobicContact CB-CG2 4.09Å; S558-T561 WeakPolarHBondContact O-CB 3.48Å; S558-T561 PolarHBondContact O-N 2.65Å; S558-T561 VanDerWaalsContact O-N 3.09Å; T561-H563 VanDerWaalsContact C-N 3.34Å; T561-H563 PolarHBondContact O-N 3.12Å; T561-C564 PolarHBondContact O-N 3.04Å; T561-A565 WeakPolarHBondContact O-CB 3.44Å; T561-A565 PolarHBondContact O-N 2.7Å |
| 562 | I | 92.3 | Very high | 89.3 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 173.8 | -63.2 | 163.7 | 0 | 0 | 0 | 110.5 | N556 S558 C564 A565 L566 L594 V602 | N556-I562 HydrophobicContact CB-CG1 4.4Å; N556-I562 WeakPolarHBondContact O-CD1 3.31Å; N556-I562 WeakPolarHBondContact O-CG1 3.23Å; S558-I562 WeakPolarHBondContact O-CG1 3.24Å; S558-I562 PolarHBondContact O-N 3.13Å; I562-C564 PolarHBondContact O-N 3.15Å; I562-A565 PolarHBondContact O-N 3Å; I562-L566 HydrophobicContact CG2-CD1 3.95Å; I562-L566 HydrophobicContact CG2-CG 4.14Å; I562-L566 WeakPolarHBondContact O-CB 3.43Å; I562-L566 VanDerWaalsContact O-CG 3.29Å; I562-L566 WeakPolarHBondContact O-CG 3.38Å; I562-L566 PolarHBondContact O-N 2.97Å; I562-L594 HydrophobicContact CG2-CD1 4.3Å; I562-L594 HydrophobicContact CG2-CD2 4.4Å; I562-V602 HydrophobicContact CB-CG2 4.2Å; I562-V602 HydrophobicContact CG2-CG1 3.79Å; I562-V602 HydrophobicContact CG2-CG2 4Å |
| 563 | H | 92.3 | Very high | 89.3 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 19% | 0.19 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.5 | -49.3 | 179.5 | 174.3 | 75.3 | 0 | 0 | 0 | 112.3 | N559 V560 T561 L566 K567 L601 V602 | N559-H563 VanDerWaalsContact O-CB 3.31Å; N559-H563 WeakPolarHBondContact O-CB 3.43Å; N559-H563 PolarHBondContact O-N 2.97Å; V560-H563 PolarHBondContact O-N 3.39Å; T561-H563 VanDerWaalsContact C-N 3.34Å; T561-H563 PolarHBondContact O-N 3.12Å; H563-L566 PolarHBondContact O-N 2.99Å; H563-K567 PolarHBondContact O-N 3.02Å; H563-K567 VanDerWaalsContact O-N 3.08Å; H563-L601 VanDerWaalsContact CE1-CD2 3.49Å; H563-L601 WeakPolarHBondContact CE1-CD2 3.42Å; H563-V602 HydrophobicContact CB-CG2 4.35Å |
| 564 | C | 92.1 | Very high | 88.9 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 175.4 | -71.2 | 0 | 0 | 0 | 0 | 112 | G516 L520 V560 T561 I562 L566 K567 A568 | G516-C564 VanDerWaalsContact CA-CB 3.44Å; L520-C564 HydrophobicContact CD2-CB 4.47Å; L520-C564 WeakPolarHBondContact CD2-O 3.47Å; L520-C564 HydrophobicContact CG-CB 4.22Å; V560-C564 PolarHBondContact O-N 2.92Å; T561-C564 PolarHBondContact O-N 3.04Å; I562-C564 PolarHBondContact O-N 3.15Å; C564-L566 PolarHBondContact O-N 3.22Å; C564-K567 CarbonylContact O-C 3.57Å; C564-K567 WeakPolarHBondContact O-CA 3.49Å; C564-K567 WeakPolarHBondContact O-CB 3.45Å; C564-K567 PolarHBondContact O-N 3.48Å; C564-K567 VanDerWaalsContact O-N 3.11Å; C564-A568 PolarHBondContact O-N 3.45Å |
| 565 | A | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M553 T554 T561 I562 K567 A568 F569 | M553-A565 HydrophobicContact CB-CB 3.68Å; T554-A565 HydrophobicContact CG2-CB 3.92Å; T561-A565 WeakPolarHBondContact O-CB 3.44Å; T561-A565 PolarHBondContact O-N 2.7Å; I562-A565 PolarHBondContact O-N 3Å; A565-K567 VanDerWaalsContact C-N 3.28Å; A565-K567 PolarHBondContact O-N 3.31Å; A565-A568 WeakPolarHBondContact O-CB 3.36Å; A565-A568 PolarHBondContact O-N 3.42Å; A565-F569 VanDerWaalsContact O-CB 3.29Å; A565-F569 WeakPolarHBondContact O-CB 3.49Å; A565-F569 PolarHBondContact O-N 3.17Å |
| 566 | L | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | 173.4 | -69.3 | 175.8 | 0 | 0 | 0 | 111.5 | T554 I562 H563 C564 F569 K570 M591 L594 V602 R605 C609 | T554-L566 HydrophobicContact CG2-CD2 4.08Å; I562-L566 HydrophobicContact CG2-CD1 3.95Å; I562-L566 HydrophobicContact CG2-CG 4.14Å; I562-L566 WeakPolarHBondContact O-CB 3.43Å; I562-L566 VanDerWaalsContact O-CG 3.29Å; I562-L566 WeakPolarHBondContact O-CG 3.38Å; I562-L566 PolarHBondContact O-N 2.97Å; H563-L566 PolarHBondContact O-N 2.99Å; C564-L566 PolarHBondContact O-N 3.22Å; L566-F569 PolarHBondContact O-N 2.99Å; L566-K570 WeakPolarHBondContact O-CB 3.32Å; L566-K570 PolarHBondContact O-N 2.77Å; L566-M591 HydrophobicContact CD2-CE 3.26Å; L566-L594 HydrophobicContact CD1-CD1 4.38Å; L566-L594 HydrophobicContact CD2-CD1 3.99Å; L566-V602 HydrophobicContact CD1-CG1 3.99Å; L566-R605 HydrophobicContact CB-CB 4.22Å; L566-R605 HydrophobicContact CB-CG 3.58Å; L566-R605 HydrophobicContact CD1-CB 4.12Å; L566-R605 HydrophobicContact CD1-CG 4.41Å; L566-C609 PolarHBondContact O-SG 3.32Å; L566-C609 VanDerWaalsContact O-SG 3.41Å |
| 567 | K | 90.8 | Very high | 88.1 | Confident | 75 Ų | 75 | 32.2 Ų | 32.2 | 33% | 0.326 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 175.9 | 178.3 | 157 | -173.9 | -175 | 0 | 112.8 | L520 H563 C564 A565 R605 | L520-K567 HydrophobicContact CD2-CB 3.73Å; L520-K567 HydrophobicContact CD2-CD 3.97Å; L520-K567 HydrophobicContact CD2-CG 3.46Å; L520-K567 VanDerWaalsContact CD2-CG 3.46Å; H563-K567 PolarHBondContact O-N 3.02Å; H563-K567 VanDerWaalsContact O-N 3.08Å; C564-K567 CarbonylContact O-C 3.57Å; C564-K567 WeakPolarHBondContact O-CA 3.49Å; C564-K567 WeakPolarHBondContact O-CB 3.45Å; C564-K567 PolarHBondContact O-N 3.48Å; C564-K567 VanDerWaalsContact O-N 3.11Å; A565-K567 VanDerWaalsContact C-N 3.28Å; A565-K567 PolarHBondContact O-N 3.31Å; K567-R605 VanDerWaalsContact CA-NE 3.26Å; K567-R605 VanDerWaalsContact CA-NH2 3.34Å; K567-R605 VanDerWaalsContact CB-NE 3.29Å |
| 568 | A | 90.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.2 | -47 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S519 L550 C564 A565 K570 R571 A572 | S519-A568 WeakPolarHBondContact O-CB 3.22Å; L550-A568 HydrophobicContact CD2-CB 3.97Å; C564-A568 PolarHBondContact O-N 3.45Å; A565-A568 WeakPolarHBondContact O-CB 3.36Å; A565-A568 PolarHBondContact O-N 3.42Å; A568-K570 PolarHBondContact O-N 3.12Å; A568-R571 WeakPolarHBondContact O-CB 3.2Å; A568-R571 PolarHBondContact O-N 2.96Å; A568-A572 PolarHBondContact O-N 3.43Å; A568-A572 VanDerWaalsContact O-N 3.12Å |
| 569 | F | 90.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | -178.8 | -154.2 | -94.9 | 0 | 0 | 0 | 111.2 | F547 L550 A565 L566 R571 A572 I573 F576 L584 R587 L588 M591 | F547-F569 HydrophobicContact CE2-CE2 4.33Å; F547-F569 HydrophobicContact CE2-CZ 4.15Å; L550-F569 HydrophobicContact CB-CD2 4.07Å; L550-F569 HydrophobicContact CB-CE2 4.5Å; A565-F569 VanDerWaalsContact O-CB 3.29Å; A565-F569 WeakPolarHBondContact O-CB 3.49Å; A565-F569 PolarHBondContact O-N 3.17Å; L566-F569 PolarHBondContact O-N 2.99Å; F569-R571 PolarHBondContact O-N 3.19Å; F569-A572 CarbonylContact O-C 3.54Å; F569-A572 PolarHBondContact O-N 3.01Å; F569-I573 HydrophobicContact CD1-CD1 4.28Å; F569-I573 HydrophobicContact CD1-CG1 3.96Å; F569-I573 HydrophobicContact CE1-CG1 4.16Å; F569-I573 WeakPolarHBondContact O-CG1 3.17Å; F569-I573 PolarHBondContact O-N 3.26Å; F569-F576 HydrophobicContact CE2-CE2 4.48Å; F569-L584 HydrophobicContact CE1-CD1 3.36Å; F569-L584 HydrophobicContact CZ-CD1 3.38Å; F569-R587 HydrophobicContact CZ-CB 4.43Å; F569-R587 HydrophobicContact CZ-CG 4.05Å; F569-L588 HydrophobicContact CE1-CD2 4.03Å; F569-M591 HydrophobicContact CD1-CE 4.27Å; F569-M591 HydrophobicContact CD1-SD 3.99Å; F569-M591 HydrophobicContact CE1-SD 3.86Å; F569-M591 HydrophobicContact CZ-SD 4.46Å |
| 570 | K | 89.4 | Confident | 85.6 | Confident | 46 Ų | 46 | 26.2 Ų | 26.2 | 20% | 0.2 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -51.7 | -39.6 | 172.8 | 179.7 | 169.9 | 168.8 | 151 | 0 | 112.9 | L566 A568 E608 D612 | L566-K570 WeakPolarHBondContact O-CB 3.32Å; L566-K570 PolarHBondContact O-N 2.77Å; A568-K570 PolarHBondContact O-N 3.12Å; K570-E608 HydrophobicContact CD-CB 4.4Å; K570-E608 WeakPolarHBondContact CE-O 3.28Å; K570-E608 PolarHBondContact NZ-O 3.47Å; K570-D612 WeakPolarHBondContact CE-OD2 3.46Å; K570-D612 IonicContact NZ-OD2 2.66Å; K570-D612 PolarHBondContact NZ-OD2 3.33Å |
| 571 | R | 87.8 | Confident | 84.6 | Confident | 52 Ų | 52 | 24.1 Ų | 24.1 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.4 | -32.1 | 178 | -68.4 | 177.5 | 176.7 | 170.2 | -3 | 112.1 | E478 G523 Q527 A568 F569 | E478-R571 IonicContact OE1-CZ 2.8Å; E478-R571 VanDerWaalsContact OE1-CZ 3.25Å; E478-R571 IonicContact OE1-NH1 3.35Å; E478-R571 PolarHBondContact OE1-NH1 2.99Å; E478-R571 IonicContact OE1-NH2 3.9Å; E478-R571 PolarHBondContact OE1-NH2 3.41Å; G523-R571 WeakPolarHBondContact O-CB 3.26Å; Q527-R571 HydrophobicContact CB-CB 4.06Å; Q527-R571 WeakPolarHBondContact CB-O 3.14Å; A568-R571 WeakPolarHBondContact O-CB 3.2Å; A568-R571 PolarHBondContact O-N 2.96Å; F569-R571 PolarHBondContact O-N 3.19Å |
| 572 | A | 87.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -88.1 | -18.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L526 L550 A568 F569 P574 L575 F576 | L526-A572 HydrophobicContact CB-CB 4Å; L526-A572 HydrophobicContact CD1-CB 3.76Å; L550-A572 HydrophobicContact CD1-CB 4.35Å; A568-A572 PolarHBondContact O-N 3.43Å; A568-A572 VanDerWaalsContact O-N 3.12Å; F569-A572 CarbonylContact O-C 3.54Å; F569-A572 PolarHBondContact O-N 3.01Å; A572-P574 VanDerWaalsContact C-CD 3.44Å; A572-P574 VanDerWaalsContact C-N 3.34Å; A572-L575 WeakPolarHBondContact O-CB 3.5Å; A572-L575 PolarHBondContact O-N 3.31Å; A572-F576 HydrophobicContact CB-CD2 3.81Å; A572-F576 HydrophobicContact CB-CE2 3.54Å; A572-F576 HydrophobicContact CB-CZ 4.39Å; A572-F576 PolarHBondContact O-N 2.84Å; A572-F576 VanDerWaalsContact O-N 3.11Å |
| 573 | I | 85.8 | Confident | 83.1 | Confident | 16 Ų | 16 | 30.8 Ų | 30.8 | 8% | 0.082 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -45.8 | -47.9 | 179.4 | -76 | 166.6 | 0 | 0 | 0 | 113.2 | F569 L575 F576 M577 L584 L588 | F569-I573 HydrophobicContact CD1-CD1 4.28Å; F569-I573 HydrophobicContact CD1-CG1 3.96Å; F569-I573 HydrophobicContact CE1-CG1 4.16Å; F569-I573 WeakPolarHBondContact O-CG1 3.17Å; F569-I573 PolarHBondContact O-N 3.26Å; I573-L575 VanDerWaalsContact C-N 3.29Å; I573-L575 PolarHBondContact O-N 3.49Å; I573-F576 PolarHBondContact O-N 2.75Å; I573-M577 HydrophobicContact CG2-CG 4.04Å; I573-M577 WeakPolarHBondContact O-CB 3.48Å; I573-M577 VanDerWaalsContact O-CG 3.3Å; I573-M577 WeakPolarHBondContact O-CG 3.41Å; I573-M577 PolarHBondContact O-N 3.05Å; I573-L584 HydrophobicContact CG1-CD1 4.46Å; I573-L584 HydrophobicContact CG2-CD2 4.33Å; I573-L588 HydrophobicContact CD1-CD2 4.15Å |
| 574 | P | 78.1 | Confident | 82.6 | Confident | 54 Ų | 54 | 28.9 Ų | 28.9 | 35% | 0.351 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.8 | -37.7 | -179 | -24.3 | 34.8 | 0 | 0 | 0 | 113.6 | F530 A572 A578 | F530-P574 HydrophobicContact CD1-CB 3.77Å; F530-P574 HydrophobicContact CE1-CB 3.57Å; F530-P574 WeakPolarHBondContact CE2-O 3.44Å; F530-P574 HydrophobicContact CG-CB 4.42Å; F530-P574 HydrophobicContact CZ-CB 4.07Å; A572-P574 VanDerWaalsContact C-CD 3.44Å; A572-P574 VanDerWaalsContact C-N 3.34Å; P574-A578 PolarHBondContact O-N 2.93Å |
| 575 | L | 82.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.7 | -50.4 | 176.9 | -170.6 | 149.3 | 0 | 0 | 0 | 110.5 | L526 F530 V535 L543 A572 I573 M577 A578 V579 | L526-L575 HydrophobicContact CB-CD1 4.3Å; L526-L575 HydrophobicContact CD2-CD1 4.16Å; L526-L575 HydrophobicContact CD2-CD2 4.44Å; L526-L575 WeakPolarHBondContact O-CD1 3.21Å; F530-L575 HydrophobicContact CB-CB 3.82Å; F530-L575 HydrophobicContact CB-CD1 3.95Å; F530-L575 HydrophobicContact CB-CG 4.14Å; F530-L575 HydrophobicContact CD2-CB 4.22Å; F530-L575 HydrophobicContact CG-CB 4.23Å; V535-L575 HydrophobicContact CG2-CD1 4.46Å; L543-L575 HydrophobicContact CD1-CD2 3.98Å; L543-L575 HydrophobicContact CD2-CD2 3.72Å; L543-L575 HydrophobicContact CG-CD2 4.15Å; A572-L575 WeakPolarHBondContact O-CB 3.5Å; A572-L575 PolarHBondContact O-N 3.31Å; I573-L575 VanDerWaalsContact C-N 3.29Å; I573-L575 PolarHBondContact O-N 3.49Å; L575-M577 VanDerWaalsContact C-N 3.3Å; L575-M577 PolarHBondContact O-N 2.87Å; L575-A578 PolarHBondContact O-N 2.85Å; L575-V579 HydrophobicContact CD2-CG2 4.16Å; L575-V579 PolarHBondContact O-N 2.84Å |
| 576 | F | 83.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -31.6 | -176.5 | -69.6 | -43.8 | 0 | 0 | 0 | 112.5 | L526 L543 F547 L550 F569 A572 I573 A578 Q580 L584 | L526-F576 HydrophobicContact CD1-CE1 4.33Å; L526-F576 HydrophobicContact CD1-CE2 4Å; L526-F576 HydrophobicContact CD1-CZ 3.55Å; L543-F576 HydrophobicContact CD2-CD1 4.06Å; L543-F576 HydrophobicContact CD2-CE1 3.93Å; F547-F576 HydrophobicContact CB-CD1 4.46Å; F547-F576 HydrophobicContact CB-CE1 3.78Å; F547-F576 HydrophobicContact CB-CZ 3.93Å; F547-F576 AromaticContact CD2-CD1 3.79Å; F547-F576 HydrophobicContact CD2-CD1 3.79Å; F547-F576 AromaticContact CD2-CD2 3.88Å; F547-F576 HydrophobicContact CD2-CD2 3.88Å; F547-F576 AromaticContact CD2-CE1 3.81Å; F547-F576 HydrophobicContact CD2-CE1 3.81Å; F547-F576 AromaticContact CD2-CE2 3.87Å; F547-F576 HydrophobicContact CD2-CE2 3.87Å; F547-F576 AromaticContact CD2-CG 3.84Å; F547-F576 HydrophobicContact CD2-CG 3.84Å; F547-F576 AromaticContact CD2-CZ 3.84Å; F547-F576 HydrophobicContact CD2-CZ 3.84Å; F547-F576 HydrophobicContact CE2-CD2 4.32Å; F547-F576 HydrophobicContact CE2-CG 4.34Å; F547-F576 HydrophobicContact CG-CE1 4.3Å; F547-F576 HydrophobicContact CG-CZ 4.39Å; L550-F576 HydrophobicContact CD1-CE2 4.1Å; L550-F576 HydrophobicContact CD1-CZ 4.33Å; F569-F576 HydrophobicContact CE2-CE2 4.48Å; A572-F576 HydrophobicContact CB-CD2 3.81Å; A572-F576 HydrophobicContact CB-CE2 3.54Å; A572-F576 HydrophobicContact CB-CZ 4.39Å; A572-F576 PolarHBondContact O-N 2.84Å; A572-F576 VanDerWaalsContact O-N 3.11Å; I573-F576 PolarHBondContact O-N 2.75Å; F576-A578 VanDerWaalsContact C-N 3.29Å; F576-A578 PolarHBondContact O-N 3.3Å; F576-Q580 CarbonylContact O-C 3.54Å; F576-Q580 WeakPolarHBondContact O-CA 3.4Å; F576-Q580 PolarHBondContact O-N 3.32Å; F576-L584 HydrophobicContact CB-CB 4.26Å; F576-L584 HydrophobicContact CB-CD1 4.26Å; F576-L584 HydrophobicContact CB-CD2 3.77Å; F576-L584 HydrophobicContact CB-CG 4.31Å |
| 577 | M | 76 | Confident | 81.1 | Confident | 15 Ų | 15 | 29.1 Ų | 29.1 | 7% | 0.074 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.9 | -37.6 | 170 | -74.8 | -64.4 | -74.8 | 0 | 0 | 111.9 | I573 L575 P581 L584 E617 V618 L621 | I573-M577 HydrophobicContact CG2-CG 4.04Å; I573-M577 WeakPolarHBondContact O-CB 3.48Å; I573-M577 VanDerWaalsContact O-CG 3.3Å; I573-M577 WeakPolarHBondContact O-CG 3.41Å; I573-M577 PolarHBondContact O-N 3.05Å; L575-M577 VanDerWaalsContact C-N 3.3Å; L575-M577 PolarHBondContact O-N 2.87Å; M577-P581 WeakPolarHBondContact O-CB 3.46Å; M577-L584 HydrophobicContact CB-CD2 4.25Å; M577-L584 HydrophobicContact CG-CD2 3.42Å; M577-L584 VanDerWaalsContact CG-CD2 3.42Å; M577-L584 HydrophobicContact SD-CD2 3.44Å; M577-L584 WeakPolarHBondContact SD-CD2 2.9Å; M577-L584 HydrophobicContact SD-CG 4.37Å; M577-E617 HydrophobicContact CE-CB 4.42Å; M577-E617 HydrophobicContact CE-CG 4.04Å; M577-V618 HydrophobicContact CE-CG2 3.81Å; M577-L621 HydrophobicContact CE-CD1 3.4Å; M577-L621 HydrophobicContact SD-CD1 4.26Å |
| 578 | A | 67 | Low | 80.9 | Confident | 65 Ų | 65 | 25.5 Ų | 25.5 | 54% | 0.537 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -78.3 | -36 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F530 P574 L575 F576 | F530-A578 HydrophobicContact CE2-CB 3.86Å; P574-A578 PolarHBondContact O-N 2.93Å; L575-A578 PolarHBondContact O-N 2.85Å; F576-A578 VanDerWaalsContact C-N 3.29Å; F576-A578 PolarHBondContact O-N 3.3Å |
| 579 | V | 72.8 | Confident | 80.6 | Confident | 63 Ų | 63 | 26.2 Ų | 26.2 | 38% | 0.382 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -101.3 | -39.5 | -172.4 | -171.2 | 0 | 0 | 0 | 0 | 112.9 | V535 L543 L575 | V535-V579 HydrophobicContact CG1-CG2 3.68Å; L543-V579 HydrophobicContact CD2-CB 4.24Å; L543-V579 HydrophobicContact CD2-CG1 4.05Å; L575-V579 HydrophobicContact CD2-CG2 4.16Å; L575-V579 PolarHBondContact O-N 2.84Å |
| 580 | Q | 74.5 | Confident | 80.2 | Confident | 25 Ų | 25 | 30 Ų | 30 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | trans | -137.6 | 57.8 | -173.6 | -58.9 | -163.8 | -10.8 | 0 | 0 | 113.1 | D544 F576 L582 K583 L584 | D544-Q580 VanDerWaalsContact CG-NE2 3.27Å; D544-Q580 VanDerWaalsContact OD1-CD 3.27Å; D544-Q580 PolarHBondContact OD1-NE2 3.48Å; D544-Q580 PolarHBondContact OD1-OE1 3.48Å; D544-Q580 VanDerWaalsContact OD1-OE1 3.06Å; F576-Q580 CarbonylContact O-C 3.54Å; F576-Q580 WeakPolarHBondContact O-CA 3.4Å; F576-Q580 PolarHBondContact O-N 3.32Å; Q580-L582 PolarHBondContact O-N 3.43Å; Q580-K583 PolarHBondContact O-N 3.32Å; Q580-L584 PolarHBondContact O-N 2.92Å | ||
| 581 | P | 69.9 | Low | 80.1 | Confident | 28 Ų | 28 | 28 Ų | 28 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | -169.2 | 19.6 | -31.6 | 0 | 0 | 0 | 113.4 | M577 L584 L585 L621 | M577-P581 WeakPolarHBondContact O-CB 3.46Å; P581-L584 PolarHBondContact O-N 3.27Å; P581-L585 VanDerWaalsContact O-CG 3.32Å; P581-L585 WeakPolarHBondContact O-CG 3.34Å; P581-L585 PolarHBondContact O-N 3.14Å; P581-L621 HydrophobicContact CB-CB 4.42Å; P581-L621 HydrophobicContact CB-CD1 3.48Å; P581-L621 VanDerWaalsContact CB-CD1 3.48Å; P581-L621 HydrophobicContact CB-CD2 3.51Å; P581-L621 HydrophobicContact CB-CG 3.97Å; P581-L621 HydrophobicContact CG-CD2 3.68Å |
| 582 | L | 72.4 | Confident | 80 | Confident | 69 Ų | 69 | 25.9 Ų | 25.9 | 36% | 0.361 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.7 | -50.5 | -175.5 | -61.9 | 175.6 | 0 | 0 | 0 | 111.9 | Q580 L584 L585 D586 R625 | Q580-L582 PolarHBondContact O-N 3.43Å; L582-L584 VanDerWaalsContact C-N 3.26Å; L582-L584 PolarHBondContact O-N 3.4Å; L582-L585 PolarHBondContact O-N 3.2Å; L582-D586 PolarHBondContact O-N 3.09Å; L582-R625 HydrophobicContact CD2-CB 3.73Å; L582-R625 HydrophobicContact CD2-CG 3.8Å |
| 583 | K | 78.4 | Confident | 79.9 | Confident | 78 Ų | 78 | 31.2 Ų | 31.2 | 34% | 0.339 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.3 | -38.5 | 179.3 | -65.2 | -174.6 | -172.9 | 177.1 | 0 | 111.9 | D544 F547 Q580 R587 | D544-K583 IonicContact OD1-NZ 2.93Å; D544-K583 PolarHBondContact OD1-NZ 3.37Å; D544-K583 IonicContact OD2-NZ 3.26Å; F547-K583 HydrophobicContact CE1-CB 3.84Å; F547-K583 HydrophobicContact CZ-CB 3.92Å; F547-K583 WeakPolarHBondContact CZ-O 3.15Å; Q580-K583 PolarHBondContact O-N 3.32Å; K583-R587 PolarHBondContact O-N 3.36Å |
| 584 | L | 83 | Confident | 80.1 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.8 | -45 | 177.8 | 175.9 | 64.8 | 0 | 0 | 0 | 112 | F547 F569 I573 F576 M577 Q580 P581 L582 D586 R587 L588 | F547-L584 HydrophobicContact CE2-CB 4.23Å; F547-L584 HydrophobicContact CE2-CD1 4.25Å; F569-L584 HydrophobicContact CE1-CD1 3.36Å; F569-L584 HydrophobicContact CZ-CD1 3.38Å; I573-L584 HydrophobicContact CG1-CD1 4.46Å; I573-L584 HydrophobicContact CG2-CD2 4.33Å; F576-L584 HydrophobicContact CB-CB 4.26Å; F576-L584 HydrophobicContact CB-CD1 4.26Å; F576-L584 HydrophobicContact CB-CD2 3.77Å; F576-L584 HydrophobicContact CB-CG 4.31Å; M577-L584 HydrophobicContact CB-CD2 4.25Å; M577-L584 HydrophobicContact CG-CD2 3.42Å; M577-L584 VanDerWaalsContact CG-CD2 3.42Å; M577-L584 HydrophobicContact SD-CD2 3.44Å; M577-L584 WeakPolarHBondContact SD-CD2 2.9Å; M577-L584 HydrophobicContact SD-CG 4.37Å; Q580-L584 PolarHBondContact O-N 2.92Å; P581-L584 PolarHBondContact O-N 3.27Å; L582-L584 VanDerWaalsContact C-N 3.26Å; L582-L584 PolarHBondContact O-N 3.4Å; L584-D586 VanDerWaalsContact C-N 3.3Å; L584-D586 PolarHBondContact O-N 3.04Å; L584-R587 PolarHBondContact O-N 2.9Å; L584-R587 VanDerWaalsContact O-N 3.1Å; L584-L588 HydrophobicContact CD1-CD1 4.06Å; L584-L588 HydrophobicContact CD1-CG 3.99Å; L584-L588 HydrophobicContact CD2-CD1 4.35Å; L584-L588 HydrophobicContact CG-CD1 3.85Å; L584-L588 HydrophobicContact CG-CG 4.23Å; L584-L588 WeakPolarHBondContact O-CG 3.41Å; L584-L588 PolarHBondContact O-N 3.46Å |
| 585 | L | 81.9 | Confident | 80.4 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 178.7 | -69.5 | 175.1 | 0 | 0 | 0 | 111.3 | P581 L582 R587 L588 A589 V618 L621 E622 L659 | P581-L585 VanDerWaalsContact O-CG 3.32Å; P581-L585 WeakPolarHBondContact O-CG 3.34Å; P581-L585 PolarHBondContact O-N 3.14Å; L582-L585 PolarHBondContact O-N 3.2Å; L585-R587 VanDerWaalsContact C-N 3.29Å; L585-R587 PolarHBondContact O-N 3.44Å; L585-L588 PolarHBondContact O-N 2.98Å; L585-A589 PolarHBondContact O-N 2.66Å; L585-V618 HydrophobicContact CD2-CB 4.28Å; L585-V618 HydrophobicContact CD2-CG1 3.62Å; L585-V618 HydrophobicContact CD2-CG2 4Å; L585-L621 HydrophobicContact CD1-CB 4.13Å; L585-E622 HydrophobicContact CD1-CG 4.38Å; L585-L659 HydrophobicContact CD2-CD2 3.6Å |
| 586 | D | 76 | Confident | 80.7 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.3 | -29.6 | 178.3 | -61.1 | -60.6 | 0 | 0 | 0 | 112.5 | L582 L584 R590 R625 W651 | L582-D586 PolarHBondContact O-N 3.09Å; L584-D586 VanDerWaalsContact C-N 3.3Å; L584-D586 PolarHBondContact O-N 3.04Å; D586-R590 PolarHBondContact O-N 3.47Å; D586-R590 PolarHBondContact O-NE 3.06Å; D586-R625 IonicContact OD1-CZ 2.71Å; D586-R625 IonicContact OD1-NH1 3.74Å; D586-R625 PolarHBondContact OD1-NH1 3.17Å; D586-R625 IonicContact OD1-NH2 3.84Å; D586-R625 PolarHBondContact OD1-NH2 3.42Å; D586-R625 IonicContact OD2-CZ 3.4Å; D586-R625 IonicContact OD2-NH1 3.6Å; D586-R625 PolarHBondContact OD2-NH1 3.4Å; D586-R625 IonicContact OD2-NH2 3.26Å; D586-R625 PolarHBondContact OD2-NH2 3.04Å; D586-W651 HydrophobicContact CB-CE3 4.39Å; D586-W651 HydrophobicContact CB-CH2 3.58Å; D586-W651 HydrophobicContact CB-CZ2 3.97Å; D586-W651 HydrophobicContact CB-CZ3 3.86Å; D586-W651 WeakPolarHBondContact OD2-CH2 3.27Å; D586-W651 WeakPolarHBondContact OD2-CZ3 3.29Å |
| 587 | R | 86 | Confident | 80.9 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.8 | -43.1 | 173.5 | -170 | 64.6 | -172.1 | 178.5 | 1.2 | 112.1 | F547 S551 T554 E555 F569 K583 L584 L585 A589 R590 M591 | F547-R587 HydrophobicContact CZ-CB 4.06Å; S551-R587 PolarHBondContact O-NH2 2.68Å; T554-R587 PolarHBondContact OG1-NE 3.39Å; T554-R587 PolarHBondContact OG1-NH2 3.26Å; E555-R587 VanDerWaalsContact CD-CZ 3.49Å; E555-R587 IonicContact OE1-CZ 3.43Å; E555-R587 IonicContact OE1-NH1 3.6Å; E555-R587 PolarHBondContact OE1-NH1 3.23Å; E555-R587 IonicContact OE1-NH2 3.17Å; E555-R587 PolarHBondContact OE1-NH2 2.87Å; E555-R587 IonicContact OE2-CZ 2.67Å; E555-R587 IonicContact OE2-NH1 2.82Å; E555-R587 PolarHBondContact OE2-NH1 3.03Å; E555-R587 IonicContact OE2-NH2 3.51Å; E555-R587 PolarHBondContact OE2-NH2 3.48Å; F569-R587 HydrophobicContact CZ-CB 4.43Å; F569-R587 HydrophobicContact CZ-CG 4.05Å; K583-R587 PolarHBondContact O-N 3.36Å; L584-R587 PolarHBondContact O-N 2.9Å; L584-R587 VanDerWaalsContact O-N 3.1Å; L585-R587 VanDerWaalsContact C-N 3.29Å; L585-R587 PolarHBondContact O-N 3.44Å; R587-A589 VanDerWaalsContact C-N 3.27Å; R587-A589 PolarHBondContact O-N 3.01Å; R587-R590 PolarHBondContact O-N 3.32Å; R587-R590 VanDerWaalsContact O-N 3.15Å; R587-M591 HydrophobicContact CG-CG 4.47Å; R587-M591 HydrophobicContact CG-SD 4.3Å; R587-M591 VanDerWaalsContact O-CG 3.29Å; R587-M591 WeakPolarHBondContact O-CG 3.44Å; R587-M591 PolarHBondContact O-N 3.28Å |
| 588 | L | 86 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -35.2 | 178.3 | -73.3 | 171.1 | 0 | 0 | 0 | 112.4 | F569 I573 L584 L585 M591 Y610 I613 L659 | F569-L588 HydrophobicContact CE1-CD2 4.03Å; I573-L588 HydrophobicContact CD1-CD2 4.15Å; L584-L588 HydrophobicContact CD1-CD1 4.06Å; L584-L588 HydrophobicContact CD1-CG 3.99Å; L584-L588 HydrophobicContact CD2-CD1 4.35Å; L584-L588 HydrophobicContact CG-CD1 3.85Å; L584-L588 HydrophobicContact CG-CG 4.23Å; L584-L588 WeakPolarHBondContact O-CG 3.41Å; L584-L588 PolarHBondContact O-N 3.46Å; L585-L588 PolarHBondContact O-N 2.98Å; L588-M591 HydrophobicContact CD2-SD 4.08Å; L588-Y610 HydrophobicContact CD2-CE1 4.38Å; L588-Y610 PolarHBondContact O-OH 3.46Å; L588-I613 HydrophobicContact CD1-CD1 3.94Å; L588-I613 HydrophobicContact CD2-CD1 4.19Å; L588-L659 HydrophobicContact CB-CD1 3.96Å; L588-L659 HydrophobicContact CB-CD2 4.04Å; L588-L659 HydrophobicContact CD1-CD2 4.03Å |
| 589 | A | 83.5 | Confident | 82.5 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 12% | 0.116 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L585 R587 M591 A592 I654 L659 | L585-A589 PolarHBondContact O-N 2.66Å; R587-A589 VanDerWaalsContact C-N 3.27Å; R587-A589 PolarHBondContact O-N 3.01Å; A589-M591 VanDerWaalsContact C-N 3.31Å; A589-M591 PolarHBondContact O-N 3.3Å; A589-A592 VanDerWaalsContact O-CB 3.26Å; A589-A592 WeakPolarHBondContact O-CB 3.13Å; A589-A592 PolarHBondContact O-N 3.04Å; A589-I654 HydrophobicContact CB-CG2 4.1Å; A589-L659 HydrophobicContact CB-CD1 4.05Å |
| 590 | R | 81.6 | Confident | 83.4 | Confident | 80 Ų | 80 | 40.1 Ų | 40.1 | 30% | 0.302 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.4 | -33.1 | 177.1 | -76.2 | -174.4 | -76.5 | 165.3 | -6.2 | 113.5 | D586 R587 A592 N593 | D586-R590 PolarHBondContact O-N 3.47Å; D586-R590 PolarHBondContact O-NE 3.06Å; R587-R590 PolarHBondContact O-N 3.32Å; R587-R590 VanDerWaalsContact O-N 3.15Å; R590-A592 PolarHBondContact O-N 3.33Å; R590-A592 VanDerWaalsContact O-N 3.11Å; R590-N593 WeakPolarHBondContact O-CB 3.32Å; R590-N593 PolarHBondContact O-N 2.79Å; R590-N593 VanDerWaalsContact O-N 3.13Å |
| 591 | M | 88.6 | Confident | 84.1 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -60.7 | -18.9 | 176.1 | -73.3 | 171.2 | 58.3 | 0 | 0 | 113.2 | L566 F569 R587 L588 A589 N593 L594 L606 | L566-M591 HydrophobicContact CD2-CE 3.26Å; F569-M591 HydrophobicContact CD1-CE 4.27Å; F569-M591 HydrophobicContact CD1-SD 3.99Å; F569-M591 HydrophobicContact CE1-SD 3.86Å; F569-M591 HydrophobicContact CZ-SD 4.46Å; R587-M591 HydrophobicContact CG-CG 4.47Å; R587-M591 HydrophobicContact CG-SD 4.3Å; R587-M591 VanDerWaalsContact O-CG 3.29Å; R587-M591 WeakPolarHBondContact O-CG 3.44Å; R587-M591 PolarHBondContact O-N 3.28Å; L588-M591 HydrophobicContact CD2-SD 4.08Å; A589-M591 VanDerWaalsContact C-N 3.31Å; A589-M591 PolarHBondContact O-N 3.3Å; M591-N593 PolarHBondContact O-N 3.43Å; M591-L594 HydrophobicContact CB-CD1 4.46Å; M591-L594 HydrophobicContact CG-CD1 4.5Å; M591-L594 VanDerWaalsContact O-CB 3.28Å; M591-L594 WeakPolarHBondContact O-CB 3.39Å; M591-L594 PolarHBondContact O-N 2.93Å; M591-L606 HydrophobicContact CB-CD1 4.07Å; M591-L606 HydrophobicContact CE-CD1 4.23Å; M591-L606 WeakPolarHBondContact O-CD1 3.36Å |
| 592 | A | 85.3 | Confident | 85.3 | Confident | 9 Ų | 9 | 39 Ų | 39 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -62.7 | -22.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A589 R590 L594 A595 Y610 V662 C666 | A589-A592 VanDerWaalsContact O-CB 3.26Å; A589-A592 WeakPolarHBondContact O-CB 3.13Å; A589-A592 PolarHBondContact O-N 3.04Å; R590-A592 PolarHBondContact O-N 3.33Å; R590-A592 VanDerWaalsContact O-N 3.11Å; A592-L594 PolarHBondContact O-N 3.29Å; A592-A595 VanDerWaalsContact O-CB 3.28Å; A592-A595 WeakPolarHBondContact O-CB 3.05Å; A592-A595 PolarHBondContact O-N 3.39Å; A592-Y610 WeakPolarHBondContact CA-OH 3.04Å; A592-Y610 PolarHBondContact N-OH 3.08Å; A592-V662 HydrophobicContact CB-CG1 3.93Å; A592-C666 HydrophobicContact CB-CB 4.34Å |
| 593 | N | 85.1 | Confident | 86.3 | Confident | 111 Ų | 111 | 37.2 Ų | 37.2 | 59% | 0.594 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -66.6 | -23.2 | 174.7 | -63.8 | -11.8 | 0 | 0 | 0 | 112.3 | R590 M591 A595 D596 | R590-N593 WeakPolarHBondContact O-CB 3.32Å; R590-N593 PolarHBondContact O-N 2.79Å; R590-N593 VanDerWaalsContact O-N 3.13Å; M591-N593 PolarHBondContact O-N 3.43Å; N593-A595 PolarHBondContact O-N 3.46Å; N593-A595 VanDerWaalsContact O-N 3.17Å; N593-D596 PolarHBondContact O-N 3.44Å; N593-D596 VanDerWaalsContact O-N 3.14Å |
| 594 | L | 89.1 | Confident | 87 | Confident | 24 Ų | 24 | 34.3 Ų | 34.3 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -67.2 | -12.9 | 175.6 | -63.6 | 172.5 | 0 | 0 | 0 | 112.9 | I562 L566 M591 A592 D596 N597 V602 L606 | I562-L594 HydrophobicContact CG2-CD1 4.3Å; I562-L594 HydrophobicContact CG2-CD2 4.4Å; L566-L594 HydrophobicContact CD1-CD1 4.38Å; L566-L594 HydrophobicContact CD2-CD1 3.99Å; M591-L594 HydrophobicContact CB-CD1 4.46Å; M591-L594 HydrophobicContact CG-CD1 4.5Å; M591-L594 VanDerWaalsContact O-CB 3.28Å; M591-L594 WeakPolarHBondContact O-CB 3.39Å; M591-L594 PolarHBondContact O-N 2.93Å; A592-L594 PolarHBondContact O-N 3.29Å; L594-D596 PolarHBondContact O-N 3.34Å; L594-N597 VanDerWaalsContact O-CB 3.25Å; L594-N597 WeakPolarHBondContact O-CB 3.4Å; L594-N597 PolarHBondContact O-N 2.99Å; L594-N597 VanDerWaalsContact O-N 3.13Å; L594-V602 HydrophobicContact CB-CG1 4.47Å; L594-L606 HydrophobicContact CB-CD2 4.14Å |
| 595 | A | 86.2 | Confident | 87.3 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -62.9 | -22.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A592 N593 K603 L606 K670 L671 | A592-A595 VanDerWaalsContact O-CB 3.28Å; A592-A595 WeakPolarHBondContact O-CB 3.05Å; A592-A595 PolarHBondContact O-N 3.39Å; N593-A595 PolarHBondContact O-N 3.46Å; N593-A595 VanDerWaalsContact O-N 3.17Å; A595-K603 VanDerWaalsContact O-CE 3.28Å; A595-K603 WeakPolarHBondContact O-CE 3.25Å; A595-L606 HydrophobicContact CB-CD2 4.09Å; A595-K670 HydrophobicContact CB-CB 4.18Å; A595-K670 HydrophobicContact CB-CD 3.72Å; A595-L671 HydrophobicContact CB-CD2 4.35Å |
| 596 | D | 87.4 | Confident | 87.9 | Confident | 105 Ų | 105 | 35.5 Ų | 35.5 | 56% | 0.561 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -87.7 | -3.7 | 178 | -55.6 | -33.6 | 0 | 0 | 0 | 112.6 | N593 L594 K670 | N593-D596 PolarHBondContact O-N 3.44Å; N593-D596 VanDerWaalsContact O-N 3.14Å; L594-D596 PolarHBondContact O-N 3.34Å; D596-K670 WeakPolarHBondContact OD1-CD 3.41Å; D596-K670 WeakPolarHBondContact OD1-CE 3.09Å; D596-K670 IonicContact OD1-NZ 2.68Å; D596-K670 PolarHBondContact OD1-NZ 3.41Å; D596-K670 IonicContact OD2-NZ 3.52Å; D596-K670 PolarHBondContact OD2-NZ 3.36Å |
| 597 | N | 87.7 | Confident | 88.5 | Confident | 32 Ų | 32 | 35 Ų | 35 | 17% | 0.171 | 19% | 0.186 | C | C | . | . | trans | -67.7 | 133.1 | 177.3 | -175.6 | -41.6 | 0 | 0 | 0 | 110.7 | N559 L594 Y599 V602 K603 | N559-N597 PolarHBondContact OD1-ND2 3.18Å; N559-N597 PolarHBondContact OD1-OD1 2.79Å; L594-N597 VanDerWaalsContact O-CB 3.25Å; L594-N597 WeakPolarHBondContact O-CB 3.4Å; L594-N597 PolarHBondContact O-N 2.99Å; L594-N597 VanDerWaalsContact O-N 3.13Å; N597-Y599 PolarHBondContact O-N 2.92Å; N597-Y599 VanDerWaalsContact O-N 3.17Å; N597-Y599 PolarHBondContact OD1-N 2.88Å; N597-V602 HydrophobicContact CB-CG1 4.34Å; N597-K603 WeakPolarHBondContact O-CE 3.44Å | ||
| 598 | A | 85.8 | Confident | 88.7 | Confident | 100 Ų | 100 | 38.1 Ų | 38.1 | 83% | 0.826 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -62.4 | -22.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | W600 | A598-W600 PolarHBondContact O-N 2.71Š|
| 599 | Y | 90.8 | Very high | 88.8 | Confident | 88 Ų | 88 | 38.1 Ų | 38.1 | 35% | 0.345 | 20% | 0.2 | S | C | . | . | trans | -86.4 | 111.7 | -173.6 | -166.3 | -120.4 | 0 | 0 | 0 | 113 | N559 N597 L601 V602 K603 | N559-Y599 HydrophobicContact CB-CD1 3.87Å; N559-Y599 HydrophobicContact CB-CG 4.16Å; N597-Y599 PolarHBondContact O-N 2.92Å; N597-Y599 VanDerWaalsContact O-N 3.17Å; N597-Y599 PolarHBondContact OD1-N 2.88Å; Y599-L601 VanDerWaalsContact C-N 3.28Å; Y599-L601 HydrophobicContact CD1-CB 3.93Å; Y599-L601 HydrophobicContact CE1-CB 3.48Å; Y599-L601 VanDerWaalsContact CE1-CB 3.48Å; Y599-L601 HydrophobicContact CE1-CD2 4.17Å; Y599-L601 HydrophobicContact CE1-CG 4.47Å; Y599-L601 PolarHBondContact O-N 3.19Å; Y599-L601 VanDerWaalsContact O-N 3.14Å; Y599-V602 HydrophobicContact CD1-CG2 4Å; Y599-V602 WeakPolarHBondContact O-CB 2.92Å; Y599-V602 PolarHBondContact O-N 3.07Å; Y599-V602 VanDerWaalsContact O-N 3.07Å; Y599-K603 PolarHBondContact O-N 2.98Å | ||
| 600 | W | 91.9 | Very high | 89.2 | Confident | 48 Ų | 48 | 37.6 Ų | 37.6 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.6 | -31.7 | -173.2 | 73.2 | -88 | 0 | 0 | 0 | 114.6 | L367 A598 V602 K603 V604 R678 V679 | L367-W600 HydrophobicContact CD1-CH2 3.79Å; L367-W600 HydrophobicContact CD1-CZ2 3.49Å; L367-W600 VanDerWaalsContact CD1-CZ2 3.49Å; L367-W600 HydrophobicContact CD2-CH2 3.34Å; L367-W600 HydrophobicContact CD2-CZ2 3.61Å; L367-W600 HydrophobicContact CD2-CZ3 4.46Å; L367-W600 HydrophobicContact CG-CH2 4.2Å; L367-W600 HydrophobicContact CG-CZ2 4.15Å; A598-W600 PolarHBondContact O-N 2.71Å; W600-V602 VanDerWaalsContact C-N 3.33Å; W600-V602 PolarHBondContact O-N 3.18Å; W600-K603 WeakPolarHBondContact O-CB 3.41Å; W600-K603 PolarHBondContact O-N 3.13Å; W600-V604 HydrophobicContact CE3-CG2 3.77Å; W600-V604 HydrophobicContact CZ3-CG2 3.97Å; W600-V604 WeakPolarHBondContact O-CG2 3.38Å; W600-V604 PolarHBondContact O-N 2.69Å; W600-R678 VanDerWaalsContact CD2-NH1 3.32Å; W600-R678 HydrophobicContact CE3-CB 3.93Å; W600-R678 HydrophobicContact CZ3-CB 3.93Å; W600-R678 HydrophobicContact CZ3-CG 4.42Å; W600-V679 HydrophobicContact CB-CG2 3.74Å |
| 601 | L | 90.6 | Very high | 89.3 | Confident | 30 Ų | 30 | 34.2 Ų | 34.2 | 16% | 0.157 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.8 | -29.6 | -179.4 | -160.8 | 76.5 | 0 | 0 | 0 | 112 | H563 Y599 R605 | H563-L601 VanDerWaalsContact CE1-CD2 3.49Å; H563-L601 WeakPolarHBondContact CE1-CD2 3.42Å; Y599-L601 VanDerWaalsContact C-N 3.28Å; Y599-L601 HydrophobicContact CD1-CB 3.93Å; Y599-L601 HydrophobicContact CE1-CB 3.48Å; Y599-L601 VanDerWaalsContact CE1-CB 3.48Å; Y599-L601 HydrophobicContact CE1-CD2 4.17Å; Y599-L601 HydrophobicContact CE1-CG 4.47Å; Y599-L601 PolarHBondContact O-N 3.19Å; Y599-L601 VanDerWaalsContact O-N 3.14Å; L601-R605 WeakPolarHBondContact O-CB 3.47Å; L601-R605 PolarHBondContact O-N 3.4Å |
| 602 | V | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68 | -44.2 | 171.6 | 166.2 | 0 | 0 | 0 | 0 | 109.6 | N559 I562 H563 L566 L594 N597 Y599 W600 R605 L606 | N559-V602 HydrophobicContact CB-CG2 4.44Å; I562-V602 HydrophobicContact CB-CG2 4.2Å; I562-V602 HydrophobicContact CG2-CG1 3.79Å; I562-V602 HydrophobicContact CG2-CG2 4Å; H563-V602 HydrophobicContact CB-CG2 4.35Å; L566-V602 HydrophobicContact CD1-CG1 3.99Å; L594-V602 HydrophobicContact CB-CG1 4.47Å; N597-V602 HydrophobicContact CB-CG1 4.34Å; Y599-V602 HydrophobicContact CD1-CG2 4Å; Y599-V602 WeakPolarHBondContact O-CB 2.92Å; Y599-V602 PolarHBondContact O-N 3.07Å; Y599-V602 VanDerWaalsContact O-N 3.07Å; W600-V602 VanDerWaalsContact C-N 3.33Å; W600-V602 PolarHBondContact O-N 3.18Å; V602-R605 PolarHBondContact O-N 2.85Å; V602-L606 WeakPolarHBondContact O-CB 3.46Å; V602-L606 PolarHBondContact O-N 3.39Å |
| 603 | K | 93.4 | Very high | 88.6 | Confident | 31 Ų | 31 | 37.5 Ų | 37.5 | 14% | 0.135 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 175.9 | -62.1 | -173.6 | -173.4 | -179 | 0 | 112.8 | A595 N597 Y599 W600 R605 L606 A607 L671 D674 V679 | A595-K603 VanDerWaalsContact O-CE 3.28Å; A595-K603 WeakPolarHBondContact O-CE 3.25Å; N597-K603 WeakPolarHBondContact O-CE 3.44Å; Y599-K603 PolarHBondContact O-N 2.98Å; W600-K603 WeakPolarHBondContact O-CB 3.41Å; W600-K603 PolarHBondContact O-N 3.13Å; K603-R605 VanDerWaalsContact C-N 3.31Å; K603-R605 PolarHBondContact O-N 3.45Å; K603-L606 WeakPolarHBondContact O-CB 3.43Å; K603-L606 PolarHBondContact O-N 3.06Å; K603-A607 PolarHBondContact O-N 3.42Å; K603-L671 HydrophobicContact CB-CD2 3.8Å; K603-L671 HydrophobicContact CD-CD2 4.22Å; K603-L671 HydrophobicContact CG-CD2 4.23Å; K603-D674 VanDerWaalsContact CD-OD2 3.29Å; K603-D674 WeakPolarHBondContact CD-OD2 3.48Å; K603-D674 WeakPolarHBondContact CE-OD2 3.35Å; K603-D674 IonicContact NZ-OD2 3.72Å; K603-D674 PolarHBondContact NZ-OD2 3.44Å; K603-V679 HydrophobicContact CB-CG1 3.92Å; K603-V679 HydrophobicContact CB-CG2 4.09Å; K603-V679 HydrophobicContact CD-CG1 4.15Å; K603-V679 HydrophobicContact CD-CG2 4.34Å |
| 604 | V | 93.2 | Very high | 88.2 | Confident | 18 Ų | 18 | 34.1 Ų | 34.1 | 11% | 0.109 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 174.8 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | W600 L606 A607 E608 V679 A682 | W600-V604 HydrophobicContact CE3-CG2 3.77Å; W600-V604 HydrophobicContact CZ3-CG2 3.97Å; W600-V604 WeakPolarHBondContact O-CG2 3.38Å; W600-V604 PolarHBondContact O-N 2.69Å; V604-L606 VanDerWaalsContact C-N 3.34Å; V604-L606 PolarHBondContact O-N 3.11Å; V604-A607 WeakPolarHBondContact O-CB 3.08Å; V604-A607 PolarHBondContact O-N 3.14Å; V604-E608 WeakPolarHBondContact O-CG 2.74Å; V604-E608 PolarHBondContact O-N 3.37Å; V604-V679 HydrophobicContact CG2-CG2 4.08Å; V604-A682 HydrophobicContact CB-CB 4.17Å; V604-A682 HydrophobicContact CG1-CB 3.83Å; V604-A682 HydrophobicContact CG2-CB 3.96Å |
| 605 | R | 91 | Very high | 87.9 | Confident | 32 Ų | 32 | 33.1 Ų | 33.1 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.6 | -33 | -179 | -161.6 | 62.5 | -179.2 | 161.7 | 7.3 | 112.7 | L566 K567 L601 V602 K603 E608 C609 | L566-R605 HydrophobicContact CB-CB 4.22Å; L566-R605 HydrophobicContact CB-CG 3.58Å; L566-R605 HydrophobicContact CD1-CB 4.12Å; L566-R605 HydrophobicContact CD1-CG 4.41Å; K567-R605 VanDerWaalsContact CA-NE 3.26Å; K567-R605 VanDerWaalsContact CA-NH2 3.34Å; K567-R605 VanDerWaalsContact CB-NE 3.29Å; L601-R605 WeakPolarHBondContact O-CB 3.47Å; L601-R605 PolarHBondContact O-N 3.4Å; V602-R605 PolarHBondContact O-N 2.85Å; K603-R605 VanDerWaalsContact C-N 3.31Å; K603-R605 PolarHBondContact O-N 3.45Å; R605-E608 WeakPolarHBondContact CD-OE2 3.41Å; R605-E608 IonicContact CZ-OE2 3.99Å; R605-E608 IonicContact NE-OE2 3.33Å; R605-E608 IonicContact NH1-OE2 3.19Å; R605-E608 PolarHBondContact NH1-OE2 3.26Å; R605-E608 PolarHBondContact O-N 3.5Å; R605-C609 PolarHBondContact O-N 3.47Å; R605-C609 PolarHBondContact O-SG 3.2Å |
| 606 | L | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 170.8 | -179 | 68.3 | 0 | 0 | 0 | 111 | M591 L594 A595 V602 K603 V604 E608 C609 Y610 | M591-L606 HydrophobicContact CB-CD1 4.07Å; M591-L606 HydrophobicContact CE-CD1 4.23Å; M591-L606 WeakPolarHBondContact O-CD1 3.36Å; L594-L606 HydrophobicContact CB-CD2 4.14Å; A595-L606 HydrophobicContact CB-CD2 4.09Å; V602-L606 WeakPolarHBondContact O-CB 3.46Å; V602-L606 PolarHBondContact O-N 3.39Å; K603-L606 WeakPolarHBondContact O-CB 3.43Å; K603-L606 PolarHBondContact O-N 3.06Å; V604-L606 VanDerWaalsContact C-N 3.34Å; V604-L606 PolarHBondContact O-N 3.11Å; L606-E608 VanDerWaalsContact C-N 3.31Å; L606-E608 PolarHBondContact O-N 3.09Å; L606-C609 WeakPolarHBondContact O-CB 3.41Å; L606-C609 PolarHBondContact O-N 3.44Å; L606-C609 VanDerWaalsContact O-N 3.11Å; L606-Y610 HydrophobicContact CD1-CD2 4.31Å; L606-Y610 HydrophobicContact CD1-CE2 3.61Å; L606-Y610 HydrophobicContact CD2-CE2 4.17Å; L606-Y610 HydrophobicContact CG-CD2 4.12Å; L606-Y610 HydrophobicContact CG-CE2 3.67Å; L606-Y610 PolarHBondContact O-N 3.41Å; L606-Y610 VanDerWaalsContact O-N 3.12Å |
| 607 | A | 90.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K603 V604 C609 Y610 A611 L667 L671 A682 A686 | K603-A607 PolarHBondContact O-N 3.42Å; V604-A607 WeakPolarHBondContact O-CB 3.08Å; V604-A607 PolarHBondContact O-N 3.14Å; A607-C609 VanDerWaalsContact C-N 3.33Å; A607-C609 PolarHBondContact O-N 3.45Å; A607-Y610 PolarHBondContact O-N 3.35Å; A607-A611 WeakPolarHBondContact O-CB 3.32Å; A607-A611 PolarHBondContact O-N 2.63Å; A607-L667 HydrophobicContact CB-CD2 4.4Å; A607-L671 HydrophobicContact CB-CD1 4.2Å; A607-A682 HydrophobicContact CB-CB 4.11Å; A607-A686 HydrophobicContact CB-CB 4.34Å |
| 608 | E | 89.6 | Confident | 85.9 | Confident | 70 Ų | 70 | 29.4 Ų | 29.4 | 33% | 0.327 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.4 | -29.9 | 175.8 | -72 | 179.3 | 161 | 0 | 0 | 113.8 | K570 V604 R605 L606 | K570-E608 HydrophobicContact CD-CB 4.4Å; K570-E608 WeakPolarHBondContact CE-O 3.28Å; K570-E608 PolarHBondContact NZ-O 3.47Å; V604-E608 WeakPolarHBondContact O-CG 2.74Å; V604-E608 PolarHBondContact O-N 3.37Å; R605-E608 WeakPolarHBondContact CD-OE2 3.41Å; R605-E608 IonicContact CZ-OE2 3.99Å; R605-E608 IonicContact NE-OE2 3.33Å; R605-E608 IonicContact NH1-OE2 3.19Å; R605-E608 PolarHBondContact NH1-OE2 3.26Å; R605-E608 PolarHBondContact O-N 3.5Å; L606-E608 VanDerWaalsContact C-N 3.31Å; L606-E608 PolarHBondContact O-N 3.09Å |
| 609 | C | 88.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67 | -44.6 | 173 | -67.7 | 0 | 0 | 0 | 0 | 110.6 | L566 R605 L606 A607 | L566-C609 PolarHBondContact O-SG 3.32Å; L566-C609 VanDerWaalsContact O-SG 3.41Å; R605-C609 PolarHBondContact O-N 3.47Å; R605-C609 PolarHBondContact O-SG 3.2Å; L606-C609 WeakPolarHBondContact O-CB 3.41Å; L606-C609 PolarHBondContact O-N 3.44Å; L606-C609 VanDerWaalsContact O-N 3.11Å; A607-C609 VanDerWaalsContact C-N 3.33Å; A607-C609 PolarHBondContact O-N 3.45Å |
| 610 | Y | 90.2 | Very high | 84.1 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.6 | -30.9 | 179.1 | -67.6 | -36.1 | 0 | 0 | 0 | 113.5 | L588 A592 L606 A607 D612 I613 V663 | L588-Y610 HydrophobicContact CD2-CE1 4.38Å; L588-Y610 PolarHBondContact O-OH 3.46Å; A592-Y610 WeakPolarHBondContact CA-OH 3.04Å; A592-Y610 PolarHBondContact N-OH 3.08Å; L606-Y610 HydrophobicContact CD1-CD2 4.31Å; L606-Y610 HydrophobicContact CD1-CE2 3.61Å; L606-Y610 HydrophobicContact CD2-CE2 4.17Å; L606-Y610 HydrophobicContact CG-CD2 4.12Å; L606-Y610 HydrophobicContact CG-CE2 3.67Å; L606-Y610 PolarHBondContact O-N 3.41Å; L606-Y610 VanDerWaalsContact O-N 3.12Å; A607-Y610 PolarHBondContact O-N 3.35Å; Y610-D612 PolarHBondContact O-N 2.92Å; Y610-D612 VanDerWaalsContact O-N 3.13Å; Y610-I613 HydrophobicContact CD1-CD1 3.83Å; Y610-I613 PolarHBondContact O-N 3.04Å; Y610-V663 HydrophobicContact CD1-CG1 4.11Å; Y610-V663 HydrophobicContact CD1-CG2 3.74Å; Y610-V663 HydrophobicContact CD2-CG1 3.9Å; Y610-V663 HydrophobicContact CD2-CG2 4.44Å; Y610-V663 HydrophobicContact CE1-CG2 3.72Å; Y610-V663 HydrophobicContact CE2-CG2 4.41Å; Y610-V663 HydrophobicContact CG-CG1 3.66Å; Y610-V663 HydrophobicContact CG-CG2 4.12Å |
| 611 | A | 84.2 | Confident | 83 | Confident | 8 Ų | 8 | 20.7 Ų | 20.7 | 7% | 0.066 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A607 A686 N689 | A607-A611 WeakPolarHBondContact O-CB 3.32Å; A607-A611 PolarHBondContact O-N 2.63Å; A611-A686 HydrophobicContact CB-CB 3.92Å; A611-N689 HydrophobicContact CB-CB 4.36Å; A611-N689 WeakPolarHBondContact O-CB 3.35Å |
| 612 | D | 75.9 | Confident | 81.9 | Confident | 76 Ų | 76 | 21 Ų | 21 | 41% | 0.406 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -4.5 | -174.1 | -84.2 | -42.1 | 0 | 0 | 0 | 115.5 | K570 Y610 R693 | K570-D612 WeakPolarHBondContact CE-OD2 3.46Å; K570-D612 IonicContact NZ-OD2 2.66Å; K570-D612 PolarHBondContact NZ-OD2 3.33Å; Y610-D612 PolarHBondContact O-N 2.92Å; Y610-D612 VanDerWaalsContact O-N 3.13Å; D612-R693 VanDerWaalsContact C-NH1 3.3Å; D612-R693 VanDerWaalsContact CA-NH1 3.25Å; D612-R693 PolarHBondContact O-NH1 3.49Å; D612-R693 IonicContact OD1-CZ 2.8Å; D612-R693 IonicContact OD1-NH1 3.41Å; D612-R693 PolarHBondContact OD1-NH1 3.32Å; D612-R693 VanDerWaalsContact OD1-NH1 3.12Å; D612-R693 IonicContact OD1-NH2 3.49Å |
| 613 | I | 82.6 | Confident | 80.5 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | trans | -77.4 | 136.7 | -176.7 | -59.4 | 173.2 | 0 | 0 | 0 | 111.2 | L588 Y610 F615 V618 | L588-I613 HydrophobicContact CD1-CD1 3.94Å; L588-I613 HydrophobicContact CD2-CD1 4.19Å; Y610-I613 HydrophobicContact CD1-CD1 3.83Å; Y610-I613 PolarHBondContact O-N 3.04Å; I613-F615 HydrophobicContact CB-CE2 4.49Å; I613-F615 HydrophobicContact CB-CZ 4.37Å; I613-F615 HydrophobicContact CG2-CD1 4.38Å; I613-F615 HydrophobicContact CG2-CE1 4.25Å; I613-F615 HydrophobicContact CG2-CZ 4.4Å; I613-V618 HydrophobicContact CG2-CG2 3.78Å | ||
| 614 | D | 77.8 | Confident | 78.8 | Confident | 40 Ų | 40 | 30.2 Ų | 30.2 | 21% | 0.214 | 15% | 0.146 | C | C | . | . | trans | -92.3 | 106.6 | 169.5 | -174.1 | -3.3 | 0 | 0 | 0 | 110.2 | C616 E617 V618 | D614-C616 VanDerWaalsContact C-N 3.27Å; D614-C616 PolarHBondContact O-N 3.36Å; D614-C616 WeakPolarHBondContact OD1-CB 3.27Å; D614-C616 PolarHBondContact OD1-N 3.5Å; D614-C616 VanDerWaalsContact OD1-N 3.15Å; D614-E617 PolarHBondContact O-N 3.3Å; D614-V618 PolarHBondContact O-N 3.21Å | ||
| 615 | F | 81.8 | Confident | 77 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -75.5 | -14.5 | -174.8 | -66.3 | -80.7 | 0 | 0 | 0 | 113.4 | I613 S619 Q660 V663 M690 R693 | I613-F615 HydrophobicContact CB-CE2 4.49Å; I613-F615 HydrophobicContact CB-CZ 4.37Å; I613-F615 HydrophobicContact CG2-CD1 4.38Å; I613-F615 HydrophobicContact CG2-CE1 4.25Å; I613-F615 HydrophobicContact CG2-CZ 4.4Å; F615-S619 PolarHBondContact O-N 3.31Å; F615-Q660 HydrophobicContact CB-CG 4.31Å; F615-Q660 HydrophobicContact CD1-CB 3.57Å; F615-Q660 HydrophobicContact CD1-CG 3.8Å; F615-Q660 HydrophobicContact CE1-CB 4.01Å; F615-Q660 HydrophobicContact CE1-CG 4.22Å; F615-Q660 HydrophobicContact CG-CB 4.18Å; F615-Q660 HydrophobicContact CG-CG 3.96Å; F615-V663 HydrophobicContact CE1-CB 4.36Å; F615-V663 HydrophobicContact CE1-CG2 4.36Å; F615-V663 HydrophobicContact CZ-CB 4.2Å; F615-V663 HydrophobicContact CZ-CG1 4.01Å; F615-V663 HydrophobicContact CZ-CG2 4.44Å; F615-M690 HydrophobicContact CD2-CG 4.3Å; F615-M690 HydrophobicContact CE2-CG 3.86Å; F615-M690 HydrophobicContact CE2-SD 4.35Å; F615-R693 PolarHBondContact N-O 3.33Å; F615-R693 VanDerWaalsContact N-O 3.07Å |
| 616 | C | 74 | Confident | 75 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 169.5 | -72 | 0 | 0 | 0 | 0 | 110.7 | D614 S619 M620 R707 | D614-C616 VanDerWaalsContact C-N 3.27Å; D614-C616 PolarHBondContact O-N 3.36Å; D614-C616 WeakPolarHBondContact OD1-CB 3.27Å; D614-C616 PolarHBondContact OD1-N 3.5Å; D614-C616 VanDerWaalsContact OD1-N 3.15Å; C616-S619 PolarHBondContact O-N 3.34Å; C616-M620 PolarHBondContact O-N 3.05Å; C616-R707 PolarHBondContact SG-NH1 3.39Å; C616-R707 VanDerWaalsContact SG-NH1 3.36Å |
| 617 | E | 70.3 | Confident | 72.5 | Confident | 61 Ų | 61 | 36.8 Ų | 36.8 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.5 | -39 | 179 | -170.6 | 164.9 | -168.7 | 0 | 0 | 111.7 | M577 D614 S619 M620 L621 K704 | M577-E617 HydrophobicContact CE-CB 4.42Å; M577-E617 HydrophobicContact CE-CG 4.04Å; D614-E617 PolarHBondContact O-N 3.3Å; E617-S619 PolarHBondContact O-N 3.41Å; E617-M620 PolarHBondContact O-N 3.47Å; E617-L621 HydrophobicContact CG-CD1 4.37Å; E617-L621 WeakPolarHBondContact O-CG 3.45Å; E617-L621 PolarHBondContact O-N 3.36Å; E617-L621 VanDerWaalsContact O-N 3.16Å; E617-K704 IonicContact OE1-NZ 2.73Å; E617-K704 IonicContact OE2-NZ 3.52Å; E617-K704 PolarHBondContact OE2-NZ 3.29Å |
| 618 | V | 75.4 | Confident | 70.2 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.1 | -45.9 | 173.2 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | M577 L585 I613 D614 M620 L621 E622 L659 | M577-V618 HydrophobicContact CE-CG2 3.81Å; L585-V618 HydrophobicContact CD2-CB 4.28Å; L585-V618 HydrophobicContact CD2-CG1 3.62Å; L585-V618 HydrophobicContact CD2-CG2 4Å; I613-V618 HydrophobicContact CG2-CG2 3.78Å; D614-V618 PolarHBondContact O-N 3.21Å; V618-M620 VanDerWaalsContact C-N 3.34Å; V618-M620 PolarHBondContact O-N 3.12Å; V618-L621 PolarHBondContact O-N 3.46Å; V618-E622 HydrophobicContact CG1-CG 4.33Å; V618-E622 WeakPolarHBondContact O-CG 3.45Å; V618-E622 PolarHBondContact O-N 3.39Å; V618-L659 HydrophobicContact CG1-CB 4.03Å; V618-L659 HydrophobicContact CG1-CD2 4.11Å; V618-L659 HydrophobicContact CG2-CD2 4.39Å |
| 619 | S | 72.2 | Confident | 67.7 | Low | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -36.2 | -179.8 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | F615 C616 E617 E622 K623 E700 | F615-S619 PolarHBondContact O-N 3.31Å; C616-S619 PolarHBondContact O-N 3.34Å; E617-S619 PolarHBondContact O-N 3.41Å; S619-E622 PolarHBondContact O-N 3.3Å; S619-K623 PolarHBondContact O-N 2.91Å; S619-K623 VanDerWaalsContact O-N 3.11Å; S619-E700 WeakPolarHBondContact CB-OE1 3.47Å; S619-E700 PolarHBondContact OG-OE1 3.06Å |
| 620 | M | 66.8 | Low | 65.1 | Low | 29 Ų | 29 | 45 Ų | 45 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 173.2 | -67.7 | -164.1 | -64.2 | 0 | 0 | 111.4 | C616 E617 V618 E622 K623 E624 E700 M701 V1487 | C616-M620 PolarHBondContact O-N 3.05Å; E617-M620 PolarHBondContact O-N 3.47Å; V618-M620 VanDerWaalsContact C-N 3.34Å; V618-M620 PolarHBondContact O-N 3.12Å; M620-E622 PolarHBondContact O-N 2.95Å; M620-K623 WeakPolarHBondContact O-CB 3.39Å; M620-K623 PolarHBondContact O-N 3.12Å; M620-E624 PolarHBondContact O-N 2.81Å; M620-E700 HydrophobicContact CG-CB 3.45Å; M620-E700 VanDerWaalsContact CG-CB 3.45Å; M620-E700 HydrophobicContact CG-CG 4.09Å; M620-E700 HydrophobicContact SD-CB 4.03Å; M620-M701 HydrophobicContact SD-CB 4.13Å; M620-V1487 HydrophobicContact CE-CG2 3.92Å |
| 621 | L | 68.1 | Low | 62.3 | Low | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.4 | -35.6 | 178.7 | -66.3 | 166.1 | 0 | 0 | 0 | 112.6 | M577 P581 L585 E617 V618 E624 R625 | M577-L621 HydrophobicContact CE-CD1 3.4Å; M577-L621 HydrophobicContact SD-CD1 4.26Å; P581-L621 HydrophobicContact CB-CB 4.42Å; P581-L621 HydrophobicContact CB-CD1 3.48Å; P581-L621 VanDerWaalsContact CB-CD1 3.48Å; P581-L621 HydrophobicContact CB-CD2 3.51Å; P581-L621 HydrophobicContact CB-CG 3.97Å; P581-L621 HydrophobicContact CG-CD2 3.68Å; L585-L621 HydrophobicContact CD1-CB 4.13Å; E617-L621 HydrophobicContact CG-CD1 4.37Å; E617-L621 WeakPolarHBondContact O-CG 3.45Å; E617-L621 PolarHBondContact O-N 3.36Å; E617-L621 VanDerWaalsContact O-N 3.16Å; V618-L621 PolarHBondContact O-N 3.46Å; L621-E624 PolarHBondContact O-N 3.07Å; L621-R625 PolarHBondContact O-N 3.31Å; L621-R625 VanDerWaalsContact O-N 3.12Å |
| 622 | E | 68.9 | Low | 59.9 | Low | 36 Ų | 36 | 49.5 Ų | 49.5 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 173.2 | -74.9 | 178.2 | 173.4 | 0 | 0 | 111.8 | L585 V618 S619 M620 R625 T626 K658 L659 | L585-E622 HydrophobicContact CD1-CG 4.38Å; V618-E622 HydrophobicContact CG1-CG 4.33Å; V618-E622 WeakPolarHBondContact O-CG 3.45Å; V618-E622 PolarHBondContact O-N 3.39Å; S619-E622 PolarHBondContact O-N 3.3Å; M620-E622 PolarHBondContact O-N 2.95Å; E622-R625 WeakPolarHBondContact O-CB 3.41Å; E622-R625 PolarHBondContact O-N 3.09Å; E622-T626 PolarHBondContact O-N 2.71Å; E622-K658 WeakPolarHBondContact OE1-CA 2.99Å; E622-K658 WeakPolarHBondContact OE2-CG 3.32Å; E622-L659 PolarHBondContact OE1-N 3.38Å |
| 623 | K | 62.2 | Low | 57.6 | Low | 110 Ų | 110 | 51.1 Ų | 51.1 | 48% | 0.478 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 175.1 | -76.6 | 177.9 | 178.4 | 170 | 0 | 112.1 | S619 M620 R625 T626 A627 E700 | S619-K623 PolarHBondContact O-N 2.91Å; S619-K623 VanDerWaalsContact O-N 3.11Å; M620-K623 WeakPolarHBondContact O-CB 3.39Å; M620-K623 PolarHBondContact O-N 3.12Å; K623-R625 VanDerWaalsContact C-N 3.27Å; K623-R625 PolarHBondContact O-N 3.48Å; K623-T626 PolarHBondContact O-N 3.42Å; K623-T626 VanDerWaalsContact O-N 3.13Å; K623-T626 PolarHBondContact O-OG1 2.77Å; K623-A627 PolarHBondContact O-N 3.28Å; K623-E700 WeakPolarHBondContact CE-OE1 3.49Å; K623-E700 IonicContact NZ-OE1 3.5Å; K623-E700 PolarHBondContact NZ-OE1 3.01Å; K623-E700 IonicContact NZ-OE2 2.72Å; K623-E700 PolarHBondContact NZ-OE2 3.35Å |
| 624 | E | 58.6 | Low | 55 | Low | 114 Ų | 114 | 53.9 Ų | 53.9 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 175.4 | -69.4 | -180 | 178.9 | 0 | 0 | 112 | M620 L621 T626 A627 S628 | M620-E624 PolarHBondContact O-N 2.81Å; L621-E624 PolarHBondContact O-N 3.07Å; E624-T626 PolarHBondContact O-N 3.41Å; E624-A627 PolarHBondContact O-N 3.01Å; E624-S628 PolarHBondContact O-N 3.16Å; E624-S628 VanDerWaalsContact O-N 3.08Å; E624-S628 PolarHBondContact O-OG 3.39Å |
| 625 | R | 56 | Low | 52.6 | Low | 41 Ų | 41 | 55.5 Ų | 55.5 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 173.7 | -164.8 | -178.3 | -178.6 | 158.5 | 0.6 | 111 | L582 D586 L621 E622 K623 A627 S628 I629 | L582-R625 HydrophobicContact CD2-CB 3.73Å; L582-R625 HydrophobicContact CD2-CG 3.8Å; D586-R625 IonicContact OD1-CZ 2.71Å; D586-R625 IonicContact OD1-NH1 3.74Å; D586-R625 PolarHBondContact OD1-NH1 3.17Å; D586-R625 IonicContact OD1-NH2 3.84Å; D586-R625 PolarHBondContact OD1-NH2 3.42Å; D586-R625 IonicContact OD2-CZ 3.4Å; D586-R625 IonicContact OD2-NH1 3.6Å; D586-R625 PolarHBondContact OD2-NH1 3.4Å; D586-R625 IonicContact OD2-NH2 3.26Å; D586-R625 PolarHBondContact OD2-NH2 3.04Å; L621-R625 PolarHBondContact O-N 3.31Å; L621-R625 VanDerWaalsContact O-N 3.12Å; E622-R625 WeakPolarHBondContact O-CB 3.41Å; E622-R625 PolarHBondContact O-N 3.09Å; K623-R625 VanDerWaalsContact C-N 3.27Å; K623-R625 PolarHBondContact O-N 3.48Å; R625-A627 PolarHBondContact O-N 3.11Å; R625-S628 PolarHBondContact O-N 3.44Å; R625-S628 PolarHBondContact O-OG 3.38Å; R625-I629 HydrophobicContact CG-CD1 3.69Å; R625-I629 WeakPolarHBondContact O-CD1 3.46Å; R625-I629 VanDerWaalsContact O-CG1 3.23Å; R625-I629 WeakPolarHBondContact O-CG1 3.28Å; R625-I629 PolarHBondContact O-N 3.23Å |
| 626 | T | 47.7 | Very low | 49.9 | Very low | 90 Ų | 90 | 59.6 Ų | 59.6 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.7 | -38.5 | -179.2 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | E622 K623 E624 S628 I629 S630 | E622-T626 PolarHBondContact O-N 2.71Å; K623-T626 PolarHBondContact O-N 3.42Å; K623-T626 VanDerWaalsContact O-N 3.13Å; K623-T626 PolarHBondContact O-OG1 2.77Å; E624-T626 PolarHBondContact O-N 3.41Å; T626-S628 VanDerWaalsContact C-N 3.31Å; T626-S628 PolarHBondContact O-N 3.04Å; T626-I629 PolarHBondContact O-N 3.1Å; T626-S630 WeakPolarHBondContact O-CB 3.36Å; T626-S630 PolarHBondContact O-N 3.28Å; T626-S630 PolarHBondContact O-OG 3.33Å |
| 627 | A | 41.9 | Very low | 47.6 | Very low | 58 Ų | 58 | 61.9 Ų | 61.9 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K623 E624 R625 I629 S630 | K623-A627 PolarHBondContact O-N 3.28Å; E624-A627 PolarHBondContact O-N 3.01Å; R625-A627 PolarHBondContact O-N 3.11Å; A627-I629 VanDerWaalsContact C-N 3.33Å; A627-I629 PolarHBondContact O-N 3.3Å; A627-S630 PolarHBondContact O-OG 3.01Å |
| 628 | S | 41.4 | Very low | 45.7 | Very low | 60 Ų | 60 | 61.4 Ų | 61.4 | 42% | 0.42 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.9 | -26.2 | 177.2 | 76.6 | 0 | 0 | 0 | 0 | 114.5 | E624 R625 T626 | E624-S628 PolarHBondContact O-N 3.16Å; E624-S628 VanDerWaalsContact O-N 3.08Å; E624-S628 PolarHBondContact O-OG 3.39Å; R625-S628 PolarHBondContact O-N 3.44Å; R625-S628 PolarHBondContact O-OG 3.38Å; T626-S628 VanDerWaalsContact C-N 3.31Å; T626-S628 PolarHBondContact O-N 3.04Å |
| 629 | I | 37.7 | Very low | 43.3 | Very low | 88 Ų | 88 | 62.8 Ų | 62.8 | 45% | 0.451 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -91 | -25.9 | -179.6 | -64.2 | 167.5 | 0 | 0 | 0 | 112 | R625 T626 A627 F631 | R625-I629 HydrophobicContact CG-CD1 3.69Å; R625-I629 WeakPolarHBondContact O-CD1 3.46Å; R625-I629 VanDerWaalsContact O-CG1 3.23Å; R625-I629 WeakPolarHBondContact O-CG1 3.28Å; R625-I629 PolarHBondContact O-N 3.23Å; T626-I629 PolarHBondContact O-N 3.1Å; A627-I629 VanDerWaalsContact C-N 3.33Å; A627-I629 PolarHBondContact O-N 3.3Å; I629-F631 PolarHBondContact O-N 2.92Å |
| 630 | S | 33.8 | Very low | 41.1 | Very low | 96 Ų | 96 | 66.4 Ų | 66.4 | 67% | 0.671 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -4.6 | 177.3 | 70.3 | 0 | 0 | 0 | 0 | 114.8 | T626 A627 | T626-S630 WeakPolarHBondContact O-CB 3.36Å; T626-S630 PolarHBondContact O-N 3.28Å; T626-S630 PolarHBondContact O-OG 3.33Å; A627-S630 PolarHBondContact O-OG 3.01Å |
| 631 | F | 30.8 | Very low | 39.2 | Very low | 55 Ų | 55 | 66.3 Ų | 66.3 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 140.3 | 163.9 | -89.2 | -78.7 | 0 | 0 | 0 | 110 | I629 F633 S1879 P1881 | I629-F631 PolarHBondContact O-N 2.92Å; F631-F633 PolarHBondContact O-N 3.29Å; F631-S1879 VanDerWaalsContact CD1-C 3.45Å; F631-S1879 WeakPolarHBondContact CD1-O 3.49Å; F631-S1879 WeakPolarHBondContact CE1-O 3.27Å; F631-S1879 WeakPolarHBondContact CE2-O 3.41Å; F631-S1879 WeakPolarHBondContact CZ-O 3.41Å; F631-P1881 HydrophobicContact CZ-CB 3.83Å; F631-P1881 HydrophobicContact CZ-CG 4.26Å |
| 632 | P | 33.2 | Very low | 37.2 | Very low | 50 Ų | 50 | 67.8 Ų | 67.8 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 92.4 | -153 | 30.4 | -35.4 | 0 | 0 | 0 | 111.4 | S634 R1887 | P632-S634 PolarHBondContact O-N 2.8Å; P632-R1887 VanDerWaalsContact CD-NH2 3.3Å |
| 633 | F | 28.9 | Very low | 35.2 | Very low | 110 Ų | 110 | 69 Ų | 69 | 48% | 0.482 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -2.3 | 159 | -104.3 | -85.8 | 0 | 0 | 0 | 111.9 | F631 | F631-F633 PolarHBondContact O-N 3.29Š|
| 634 | S | 27.8 | Very low | 33.5 | Very low | 64 Ų | 64 | 66.4 Ų | 66.4 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.5 | -175 | 52.7 | 0 | 0 | 0 | 0 | 116.2 | P632 | P632-S634 PolarHBondContact O-N 2.8Š|
| 635 | I | 26.6 | Very low | 32 | Very low | 75 Ų | 75 | 67.7 Ų | 67.7 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | -17.6 | 179.3 | -57.6 | 178.8 | 0 | 0 | 0 | 114.4 | L2070 P2341 | I635-L2070 HydrophobicContact CG2-CD2 4.43Å; I635-P2341 HydrophobicContact CD1-CG 3.89Å |
| 636 | F | 25.1 | Very low | 30.7 | Very low | 88 Ų | 88 | 69.1 Ų | 69.1 | 39% | 0.386 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -13.8 | -176.4 | -108 | -69.2 | 0 | 0 | 0 | 116.8 | V638 R1874 L1878 | F636-V638 VanDerWaalsContact C-N 3.27Å; F636-V638 PolarHBondContact O-N 3.1Å; F636-R1874 VanDerWaalsContact CZ-NE 3.31Å; F636-L1878 HydrophobicContact CD2-CD1 3.91Å; F636-L1878 HydrophobicContact CE2-CD1 4.21Å |
| 637 | A | 26.2 | Very low | 29.8 | Very low | 48 Ų | 48 | 67.5 Ų | 67.5 | 40% | 0.397 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -9.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A641 | A637-A641 WeakPolarHBondContact O-CB 3.25Š|
| 638 | V | 29.6 | Very low | 29.1 | Very low | 51 Ų | 51 | 68.7 Ų | 68.7 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -4.8 | -169.1 | -139.4 | 0 | 0 | 0 | 0 | 116.3 | F636 F2077 | F636-V638 VanDerWaalsContact C-N 3.27Å; F636-V638 PolarHBondContact O-N 3.1Å; V638-F2077 HydrophobicContact CB-CD2 3.84Å; V638-F2077 HydrophobicContact CB-CE2 4.11Å; V638-F2077 HydrophobicContact CB-CG 4.39Å; V638-F2077 HydrophobicContact CG1-CD2 3.07Å; V638-F2077 HydrophobicContact CG1-CE2 3.27Å; V638-F2077 HydrophobicContact CG1-CG 4.03Å; V638-F2077 HydrophobicContact CG1-CZ 4.32Å; V638-F2077 HydrophobicContact CG2-CD2 4.47Å; V638-F2077 HydrophobicContact CG2-CE2 4.28Å |
| 639 | A | 25.3 | Very low | 28.6 | Very low | 31 Ų | 31 | 67.3 Ų | 67.3 | 26% | 0.256 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -7.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A2073 | A639-A2073 HydrophobicContact CB-CB 4.38Š|
| 640 | S | 26 | Very low | 28.3 | Very low | 82 Ų | 82 | 66.2 Ų | 66.2 | 57% | 0.573 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | 1.6 | -179.2 | 60.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 641 | A | 26.7 | Very low | 28.1 | Very low | 27 Ų | 27 | 65 Ų | 65 | 22% | 0.223 | 38% | 0.383 | C | S | . | . | trans | -111.2 | 30.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A637 K643 S644 | A637-A641 WeakPolarHBondContact O-CB 3.25Å; A641-K643 PolarHBondContact O-N 3.01Å; A641-S644 PolarHBondContact O-N 3.33Å | ||
| 642 | G | 26.1 | Very low | 28.2 | Very low | 50 Ų | 50 | 68 Ų | 68 | 52% | 0.515 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -5.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q2006 | G642-Q2006 PolarHBondContact O-NE2 3.21Š|
| 643 | K | 27.1 | Very low | 28.3 | Very low | 61 Ų | 61 | 68.4 Ų | 68.4 | 27% | 0.265 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -8.8 | 176.3 | -132.2 | 173.6 | -123.3 | 135.4 | 0 | 115.5 | A641 S2002 C2149 | A641-K643 PolarHBondContact O-N 3.01Å; K643-S2002 PolarHBondContact NZ-O 3.08Å; K643-C2149 WeakPolarHBondContact CE-SG 3.36Å |
| 644 | S | 26.5 | Very low | 28.6 | Very low | 56 Ų | 56 | 66.3 Ų | 66.3 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 4.7 | -175.4 | 91.1 | 0 | 0 | 0 | 0 | 114 | A641 L646 A647 | A641-S644 PolarHBondContact O-N 3.33Å; S644-L646 PolarHBondContact O-N 3Å; S644-A647 PolarHBondContact O-N 2.94Å |
| 645 | M | 27.9 | Very low | 29.3 | Very low | 140 Ų | 140 | 65.8 Ų | 65.8 | 69% | 0.69 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.8 | -22.7 | 172.7 | -127.4 | -175.7 | 159.3 | 0 | 0 | 112.3 | A647 N648 | M645-A647 VanDerWaalsContact C-N 3.29Å; M645-A647 PolarHBondContact O-N 3.35Å; M645-N648 PolarHBondContact O-N 3.42Å |
| 646 | L | 28.9 | Very low | 30.3 | Very low | 71 Ų | 71 | 66.2 Ų | 66.2 | 37% | 0.372 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.4 | -26.1 | 175.2 | -67.8 | 164.8 | 0 | 0 | 0 | 113.4 | S644 L2186 | S644-L646 PolarHBondContact O-N 3Å; L646-L2186 HydrophobicContact CB-CD1 4.21Å; L646-L2186 HydrophobicContact CD2-CB 3.51Å; L646-L2186 HydrophobicContact CD2-CD1 3.51Å; L646-L2186 HydrophobicContact CD2-CD2 3.41Å; L646-L2186 VanDerWaalsContact CD2-CD2 3.41Å; L646-L2186 HydrophobicContact CD2-CG 3.6Å; L646-L2186 HydrophobicContact CG-CD1 4.47Å |
| 647 | A | 28 | Very low | 31.5 | Very low | 56 Ų | 56 | 67.8 Ų | 67.8 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -96.4 | -18.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S644 M645 W651 | S644-A647 PolarHBondContact O-N 2.94Å; M645-A647 VanDerWaalsContact C-N 3.29Å; M645-A647 PolarHBondContact O-N 3.35Å; A647-W651 PolarHBondContact O-NE1 3.23Å; A647-W651 VanDerWaalsContact O-NE1 3.15Å |
| 648 | N | 27.1 | Very low | 33.7 | Very low | 83 Ų | 83 | 71.3 Ų | 71.3 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -105.3 | -5.5 | -170.5 | -77.5 | -11.6 | 0 | 0 | 0 | 115 | M645 W651 Q652 | M645-N648 PolarHBondContact O-N 3.42Å; N648-W651 WeakPolarHBondContact O-CA 3.46Å; N648-W651 VanDerWaalsContact O-CB 3.29Å; N648-W651 WeakPolarHBondContact O-CB 3.44Å; N648-W651 PolarHBondContact O-N 3.33Å; N648-W651 VanDerWaalsContact O-N 3.12Å; N648-Q652 PolarHBondContact O-N 2.72Å |
| 649 | S | 30.9 | Very low | 36.2 | Very low | 32 Ų | 32 | 69.1 Ų | 69.1 | 22% | 0.224 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -73.2 | -35.9 | 177.3 | 72.6 | 0 | 0 | 0 | 0 | 112.4 | W651 Q652 K2234 | S649-W651 PolarHBondContact O-N 2.82Å; S649-Q652 PolarHBondContact O-N 2.89Å; S649-K2234 WeakPolarHBondContact OG-CE 3.38Å; S649-K2234 PolarHBondContact OG-NZ 3.28Å |
| 650 | T | 32.7 | Very low | 39.1 | Very low | 64 Ų | 64 | 68.5 Ų | 68.5 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.6 | -19.9 | 167.5 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | I654 | T650-I654 WeakPolarHBondContact O-CB 3.47Å; T650-I654 WeakPolarHBondContact O-CD1 3.36Å; T650-I654 WeakPolarHBondContact O-CG1 3.45Å |
| 651 | W | 28.7 | Very low | 41.9 | Very low | 70 Ų | 70 | 68.9 Ų | 68.9 | 27% | 0.265 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -79.5 | -27.8 | 179.3 | -73.6 | 56.6 | 0 | 0 | 0 | 113.3 | D586 A647 N648 S649 S655 | D586-W651 HydrophobicContact CB-CE3 4.39Å; D586-W651 HydrophobicContact CB-CH2 3.58Å; D586-W651 HydrophobicContact CB-CZ2 3.97Å; D586-W651 HydrophobicContact CB-CZ3 3.86Å; D586-W651 WeakPolarHBondContact OD2-CH2 3.27Å; D586-W651 WeakPolarHBondContact OD2-CZ3 3.29Å; A647-W651 PolarHBondContact O-NE1 3.23Å; A647-W651 VanDerWaalsContact O-NE1 3.15Å; N648-W651 WeakPolarHBondContact O-CA 3.46Å; N648-W651 VanDerWaalsContact O-CB 3.29Å; N648-W651 WeakPolarHBondContact O-CB 3.44Å; N648-W651 PolarHBondContact O-N 3.33Å; N648-W651 VanDerWaalsContact O-N 3.12Å; S649-W651 PolarHBondContact O-N 2.82Å; W651-S655 WeakPolarHBondContact O-CB 3.3Å; W651-S655 PolarHBondContact O-N 2.8Å; W651-S655 VanDerWaalsContact O-N 3.13Å; W651-S655 PolarHBondContact O-OG 2.95Å |
| 652 | Q | 32.8 | Very low | 44.6 | Very low | 120 Ų | 120 | 68.9 Ų | 68.9 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -78.9 | -39.4 | -180 | -81.6 | -175 | -26.4 | 0 | 0 | 113.2 | N648 S649 S655 | N648-Q652 PolarHBondContact O-N 2.72Å; S649-Q652 PolarHBondContact O-N 2.89Å; Q652-S655 PolarHBondContact O-OG 3.31Å |
| 653 | S | 36 | Very low | 47.5 | Very low | 58 Ų | 58 | 66.5 Ų | 66.5 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -72.8 | -36.9 | 179 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 654 | I | 35.8 | Very low | 50.4 | Low | 65 Ų | 65 | 64.2 Ų | 64.2 | 33% | 0.333 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -74.8 | -30.8 | 175.7 | -60.3 | 173.1 | 0 | 0 | 0 | 111.5 | A589 T650 S656 E657 | A589-I654 HydrophobicContact CB-CG2 4.1Å; T650-I654 WeakPolarHBondContact O-CB 3.47Å; T650-I654 WeakPolarHBondContact O-CD1 3.36Å; T650-I654 WeakPolarHBondContact O-CG1 3.45Å; I654-S656 PolarHBondContact O-N 3.21Å; I654-E657 PolarHBondContact O-N 3.26Å |
| 655 | S | 41.5 | Very low | 53.2 | Low | 54 Ų | 54 | 63.8 Ų | 63.8 | 38% | 0.378 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -7.2 | -175.4 | 65.2 | 0 | 0 | 0 | 0 | 116.2 | W651 Q652 | W651-S655 WeakPolarHBondContact O-CB 3.3Å; W651-S655 PolarHBondContact O-N 2.8Å; W651-S655 VanDerWaalsContact O-N 3.13Å; W651-S655 PolarHBondContact O-OG 2.95Å; Q652-S655 PolarHBondContact O-OG 3.31Å |
| 656 | S | 47.3 | Very low | 56.1 | Low | 84 Ų | 84 | 57.5 Ų | 57.5 | 59% | 0.587 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -22 | 178.4 | 79.7 | 0 | 0 | 0 | 0 | 113.9 | I654 | I654-S656 PolarHBondContact O-N 3.21Š|
| 657 | E | 51.5 | Low | 58.9 | Low | 121 Ų | 121 | 54.2 Ų | 54.2 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -94 | 124.5 | -179.6 | -69 | -162.3 | 161.6 | 0 | 0 | 111.4 | I654 V662 | I654-E657 PolarHBondContact O-N 3.26Å; E657-V662 HydrophobicContact CB-CG2 4.19Å |
| 658 | K | 71.8 | Confident | 61.6 | Low | 122 Ų | 122 | 51.9 Ų | 51.9 | 53% | 0.53 | 28% | 0.276 | S | S | . | . | trans | -60.9 | 137.5 | 176.4 | -64.4 | -165.6 | 170.3 | -162.4 | 0 | 111 | E622 Q660 Q661 V662 | E622-K658 WeakPolarHBondContact OE1-CA 2.99Å; E622-K658 WeakPolarHBondContact OE2-CG 3.32Å; K658-Q660 VanDerWaalsContact C-N 3.27Å; K658-Q660 PolarHBondContact O-N 2.67Å; K658-Q661 WeakPolarHBondContact O-CB 3.35Å; K658-Q661 PolarHBondContact O-N 3.43Å; K658-V662 PolarHBondContact O-N 3.25Å | ||
| 659 | L | 82.3 | Confident | 64.3 | Low | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.4 | -38.8 | -176.8 | 179.1 | 67.3 | 0 | 0 | 0 | 112.3 | L585 L588 A589 V618 E622 Q661 V662 V663 | L585-L659 HydrophobicContact CD2-CD2 3.6Å; L588-L659 HydrophobicContact CB-CD1 3.96Å; L588-L659 HydrophobicContact CB-CD2 4.04Å; L588-L659 HydrophobicContact CD1-CD2 4.03Å; A589-L659 HydrophobicContact CB-CD1 4.05Å; V618-L659 HydrophobicContact CG1-CB 4.03Å; V618-L659 HydrophobicContact CG1-CD2 4.11Å; V618-L659 HydrophobicContact CG2-CD2 4.39Å; E622-L659 PolarHBondContact OE1-N 3.38Å; L659-Q661 PolarHBondContact O-N 3.24Å; L659-V662 PolarHBondContact O-N 2.71Å; L659-V663 HydrophobicContact CD1-CG2 4.12Å; L659-V663 HydrophobicContact CG-CG2 4.2Å; L659-V663 WeakPolarHBondContact O-CG2 3.49Å; L659-V663 PolarHBondContact O-N 3.08Å |
| 660 | Q | 85.6 | Confident | 66.9 | Low | 18 Ų | 18 | 56.1 Ų | 56.1 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.9 | -36.6 | 177.7 | -173.2 | 175.6 | -27 | 0 | 0 | 112.3 | F615 K658 M664 H695 | F615-Q660 HydrophobicContact CB-CG 4.31Å; F615-Q660 HydrophobicContact CD1-CB 3.57Å; F615-Q660 HydrophobicContact CD1-CG 3.8Å; F615-Q660 HydrophobicContact CE1-CB 4.01Å; F615-Q660 HydrophobicContact CE1-CG 4.22Å; F615-Q660 HydrophobicContact CG-CB 4.18Å; F615-Q660 HydrophobicContact CG-CG 3.96Å; K658-Q660 VanDerWaalsContact C-N 3.27Å; K658-Q660 PolarHBondContact O-N 2.67Å; Q660-M664 WeakPolarHBondContact O-CB 3.17Å; Q660-M664 PolarHBondContact O-N 3.08Å; Q660-H695 VanDerWaalsContact CD-O 3.3Å; Q660-H695 PolarHBondContact NE2-O 3.32Å; Q660-H695 PolarHBondContact OE1-O 3.41Å |
| 661 | Q | 83.9 | Confident | 69.5 | Low | 89 Ų | 89 | 53.1 Ų | 53.1 | 42% | 0.416 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 178.9 | -159.2 | 74.3 | 11.2 | 0 | 0 | 111.2 | K658 L659 N665 | K658-Q661 WeakPolarHBondContact O-CB 3.35Å; K658-Q661 PolarHBondContact O-N 3.43Å; L659-Q661 PolarHBondContact O-N 3.24Å; Q661-N665 WeakPolarHBondContact O-CB 3.43Å; Q661-N665 PolarHBondContact O-N 3.25Å; Q661-N665 PolarHBondContact O-ND2 3.01Å |
| 662 | V | 84.5 | Confident | 72.2 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 176.1 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | A592 E657 K658 L659 N665 C666 | A592-V662 HydrophobicContact CB-CG1 3.93Å; E657-V662 HydrophobicContact CB-CG2 4.19Å; K658-V662 PolarHBondContact O-N 3.25Å; L659-V662 PolarHBondContact O-N 2.71Å; V662-N665 PolarHBondContact O-N 3.06Å; V662-C666 WeakPolarHBondContact O-CB 2.95Å; V662-C666 PolarHBondContact O-N 2.98Å |
| 663 | V | 87.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 179.3 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | Y610 F615 L659 N665 C666 L667 | Y610-V663 HydrophobicContact CD1-CG1 4.11Å; Y610-V663 HydrophobicContact CD1-CG2 3.74Å; Y610-V663 HydrophobicContact CD2-CG1 3.9Å; Y610-V663 HydrophobicContact CD2-CG2 4.44Å; Y610-V663 HydrophobicContact CE1-CG2 3.72Å; Y610-V663 HydrophobicContact CE2-CG2 4.41Å; Y610-V663 HydrophobicContact CG-CG1 3.66Å; Y610-V663 HydrophobicContact CG-CG2 4.12Å; F615-V663 HydrophobicContact CE1-CB 4.36Å; F615-V663 HydrophobicContact CE1-CG2 4.36Å; F615-V663 HydrophobicContact CZ-CB 4.2Å; F615-V663 HydrophobicContact CZ-CG1 4.01Å; F615-V663 HydrophobicContact CZ-CG2 4.44Å; L659-V663 HydrophobicContact CD1-CG2 4.12Å; L659-V663 HydrophobicContact CG-CG2 4.2Å; L659-V663 WeakPolarHBondContact O-CG2 3.49Å; L659-V663 PolarHBondContact O-N 3.08Å; V663-N665 VanDerWaalsContact C-N 3.35Å; V663-N665 PolarHBondContact O-N 3.04Å; V663-C666 WeakPolarHBondContact O-CB 3.44Å; V663-C666 PolarHBondContact O-N 2.73Å; V663-L667 HydrophobicContact CG1-CD1 3.85Å; V663-L667 HydrophobicContact CG1-CG 4.27Å; V663-L667 WeakPolarHBondContact O-CG 3.39Å; V663-L667 PolarHBondContact O-N 3.17Å |
| 664 | M | 86.9 | Confident | 76.8 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 177 | -178.9 | 173.5 | 71.2 | 0 | 0 | 111.6 | Q660 L667 L668 M690 F696 | Q660-M664 WeakPolarHBondContact O-CB 3.17Å; Q660-M664 PolarHBondContact O-N 3.08Å; M664-L667 PolarHBondContact O-N 2.9Å; M664-L668 HydrophobicContact CG-CD1 3.65Å; M664-L668 HydrophobicContact CG-CG 4.2Å; M664-L668 WeakPolarHBondContact O-CB 3.47Å; M664-L668 VanDerWaalsContact O-CG 3.3Å; M664-L668 WeakPolarHBondContact O-CG 3.32Å; M664-L668 PolarHBondContact O-N 3.33Å; M664-L668 HydrophobicContact SD-CD1 4.39Å; M664-M690 HydrophobicContact CB-CE 4Å; M664-M690 HydrophobicContact CB-SD 4.28Å; M664-M690 HydrophobicContact CG-CE 3.83Å; M664-M690 HydrophobicContact SD-CE 4.26Å; M664-F696 HydrophobicContact SD-CE1 4.5Å; M664-F696 HydrophobicContact SD-CZ 4.14Å |
| 665 | N | 86.1 | Confident | 78.9 | Confident | 48 Ų | 48 | 48.1 Ų | 48.1 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 175.1 | -79.8 | -34.9 | 0 | 0 | 0 | 111.8 | Q661 V662 V663 K669 | Q661-N665 WeakPolarHBondContact O-CB 3.43Å; Q661-N665 PolarHBondContact O-N 3.25Å; Q661-N665 PolarHBondContact O-ND2 3.01Å; V662-N665 PolarHBondContact O-N 3.06Å; V663-N665 VanDerWaalsContact C-N 3.35Å; V663-N665 PolarHBondContact O-N 3.04Å; N665-K669 VanDerWaalsContact O-CB 3.28Å; N665-K669 WeakPolarHBondContact O-CB 3.24Å; N665-K669 PolarHBondContact O-N 2.96Å; N665-K669 PolarHBondContact OD1-NZ 3.36Å |
| 666 | C | 88.3 | Confident | 80.9 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -59.7 | -47.7 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | A592 V662 V663 K670 L671 | A592-C666 HydrophobicContact CB-CB 4.34Å; V662-C666 WeakPolarHBondContact O-CB 2.95Å; V662-C666 PolarHBondContact O-N 2.98Å; V663-C666 WeakPolarHBondContact O-CB 3.44Å; V663-C666 PolarHBondContact O-N 2.73Å; C666-K670 WeakPolarHBondContact O-CB 3.47Å; C666-K670 PolarHBondContact O-N 2.78Å; C666-L671 PolarHBondContact O-N 3.36Å; C666-L671 VanDerWaalsContact O-N 3.13Å |
| 667 | L | 87.7 | Confident | 82.5 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -65.1 | -52.6 | 179 | -70.4 | 171.4 | 0 | 0 | 0 | 111.3 | A607 V663 M664 L671 L672 A686 V687 M690 | A607-L667 HydrophobicContact CB-CD2 4.4Å; V663-L667 HydrophobicContact CG1-CD1 3.85Å; V663-L667 HydrophobicContact CG1-CG 4.27Å; V663-L667 WeakPolarHBondContact O-CG 3.39Å; V663-L667 PolarHBondContact O-N 3.17Å; M664-L667 PolarHBondContact O-N 2.9Å; L667-L671 HydrophobicContact CD2-CD1 3.83Å; L667-L671 PolarHBondContact O-N 3.29Å; L667-L672 WeakPolarHBondContact O-CG 3.21Å; L667-L672 PolarHBondContact O-N 3.06Å; L667-A686 HydrophobicContact CD1-CB 4.17Å; L667-A686 HydrophobicContact CD2-CB 3.73Å; L667-V687 HydrophobicContact CB-CG2 4.17Å; L667-V687 HydrophobicContact CD1-CG2 4.36Å; L667-M690 HydrophobicContact CD1-SD 4.26Å |
| 668 | L | 85.1 | Confident | 84.2 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -75.7 | -38.8 | -171.4 | -63.7 | -178.5 | 0 | 0 | 0 | 113.9 | M664 L672 V687 A760 I761 L764 | M664-L668 HydrophobicContact CG-CD1 3.65Å; M664-L668 HydrophobicContact CG-CG 4.2Å; M664-L668 WeakPolarHBondContact O-CB 3.47Å; M664-L668 VanDerWaalsContact O-CG 3.3Å; M664-L668 WeakPolarHBondContact O-CG 3.32Å; M664-L668 PolarHBondContact O-N 3.33Å; M664-L668 HydrophobicContact SD-CD1 4.39Å; L668-L672 HydrophobicContact CD2-CD1 3.61Å; L668-V687 HydrophobicContact CD2-CG2 4.01Å; L668-A760 HydrophobicContact CD1-CB 4.12Å; L668-I761 HydrophobicContact CD2-CD1 4.11Å; L668-I761 HydrophobicContact CD2-CG1 3.82Å; L668-L764 HydrophobicContact CB-CD1 3.96Å |
| 669 | K | 83.4 | Confident | 85 | Confident | 123 Ų | 123 | 38.1 Ų | 38.1 | 54% | 0.535 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -96.4 | -23.9 | -172.9 | -60.8 | 178.5 | 178.1 | 169.9 | 0 | 114.1 | N665 | N665-K669 VanDerWaalsContact O-CB 3.28Å; N665-K669 WeakPolarHBondContact O-CB 3.24Å; N665-K669 PolarHBondContact O-N 2.96Å; N665-K669 PolarHBondContact OD1-NZ 3.36Å |
| 670 | K | 85.1 | Confident | 85.2 | Confident | 81 Ų | 81 | 38.9 Ų | 38.9 | 35% | 0.352 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -108.6 | -59.4 | 179.7 | -58.2 | -173.1 | 173.2 | -167 | 0 | 111.9 | A595 D596 C666 V673 D674 | A595-K670 HydrophobicContact CB-CB 4.18Å; A595-K670 HydrophobicContact CB-CD 3.72Å; D596-K670 WeakPolarHBondContact OD1-CD 3.41Å; D596-K670 WeakPolarHBondContact OD1-CE 3.09Å; D596-K670 IonicContact OD1-NZ 2.68Å; D596-K670 PolarHBondContact OD1-NZ 3.41Å; D596-K670 IonicContact OD2-NZ 3.52Å; D596-K670 PolarHBondContact OD2-NZ 3.36Å; C666-K670 WeakPolarHBondContact O-CB 3.47Å; C666-K670 PolarHBondContact O-N 2.78Å; K670-V673 PolarHBondContact O-N 3.14Å; K670-D674 PolarHBondContact O-N 3.37Å |
| 671 | L | 87.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -76.8 | -33.9 | -168.7 | -64.9 | 171.1 | 0 | 0 | 0 | 114.6 | A595 K603 A607 C666 L667 V673 D674 V679 | A595-L671 HydrophobicContact CB-CD2 4.35Å; K603-L671 HydrophobicContact CB-CD2 3.8Å; K603-L671 HydrophobicContact CD-CD2 4.22Å; K603-L671 HydrophobicContact CG-CD2 4.23Å; A607-L671 HydrophobicContact CB-CD1 4.2Å; C666-L671 PolarHBondContact O-N 3.36Å; C666-L671 VanDerWaalsContact O-N 3.13Å; L667-L671 HydrophobicContact CD2-CD1 3.83Å; L667-L671 PolarHBondContact O-N 3.29Å; L671-V673 VanDerWaalsContact C-N 3.26Å; L671-V673 PolarHBondContact O-N 3.34Å; L671-D674 WeakPolarHBondContact O-CB 3.44Å; L671-V679 HydrophobicContact CB-CG1 4.37Å; L671-V679 HydrophobicContact CD2-CG1 3.74Å |
| 672 | L | 85 | Confident | 85.5 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -21.6 | 174.9 | -73.2 | -171.9 | 0 | 0 | 0 | 113.8 | L667 L668 V687 T781 | L667-L672 WeakPolarHBondContact O-CG 3.21Å; L667-L672 PolarHBondContact O-N 3.06Å; L668-L672 HydrophobicContact CD2-CD1 3.61Å; L672-V687 HydrophobicContact CD1-CG2 4.46Å; L672-T781 HydrophobicContact CD1-CG2 4.32Å; L672-T781 WeakPolarHBondContact CD2-OG1 3.45Å |
| 673 | V | 82.3 | Confident | 85.8 | Confident | 37 Ų | 37 | 36.6 Ų | 36.6 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -1.7 | -177.4 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | K670 L671 F774 | K670-V673 PolarHBondContact O-N 3.14Å; L671-V673 VanDerWaalsContact C-N 3.26Å; L671-V673 PolarHBondContact O-N 3.34Å; V673-F774 HydrophobicContact CB-CD2 4.2Å; V673-F774 HydrophobicContact CB-CE2 4.07Å; V673-F774 HydrophobicContact CG1-CD2 3.22Å; V673-F774 HydrophobicContact CG1-CE2 3.36Å; V673-F774 HydrophobicContact CG1-CG 4.1Å; V673-F774 HydrophobicContact CG1-CZ 4.32Å; V673-F774 HydrophobicContact CG2-CD1 4.45Å; V673-F774 HydrophobicContact CG2-CD2 3.88Å; V673-F774 HydrophobicContact CG2-CE1 4.08Å; V673-F774 HydrophobicContact CG2-CE2 3.44Å; V673-F774 VanDerWaalsContact CG2-CE2 3.44Å; V673-F774 HydrophobicContact CG2-CG 4.36Å; V673-F774 HydrophobicContact CG2-CZ 3.55Å |
| 674 | D | 84.4 | Confident | 85.8 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | trans | -64.6 | 148 | -176.4 | -160.5 | -85.4 | 0 | 0 | 0 | 113.2 | K603 K670 L671 S676 V679 R680 | K603-D674 VanDerWaalsContact CD-OD2 3.29Å; K603-D674 WeakPolarHBondContact CD-OD2 3.48Å; K603-D674 WeakPolarHBondContact CE-OD2 3.35Å; K603-D674 IonicContact NZ-OD2 3.72Å; K603-D674 PolarHBondContact NZ-OD2 3.44Å; K670-D674 PolarHBondContact O-N 3.37Å; L671-D674 WeakPolarHBondContact O-CB 3.44Å; D674-S676 VanDerWaalsContact C-N 3.28Å; D674-S676 PolarHBondContact O-N 2.97Å; D674-S676 WeakPolarHBondContact OD1-CB 3.35Å; D674-S676 PolarHBondContact OD1-N 3.39Å; D674-V679 HydrophobicContact CB-CB 3.95Å; D674-V679 HydrophobicContact CB-CG1 3.7Å; D674-R680 VanDerWaalsContact O-CD 3.3Å; D674-R680 WeakPolarHBondContact O-CD 3.43Å; D674-R680 VanDerWaalsContact O-CG 3.31Å; D674-R680 WeakPolarHBondContact O-CG 3.18Å; D674-R680 PolarHBondContact O-NH1 3.42Å | ||
| 675 | D | 78.9 | Confident | 86 | Confident | 147 Ų | 147 | 39.5 Ų | 39.5 | 79% | 0.786 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -66.7 | -27.8 | 179.5 | -64 | -38.8 | 0 | 0 | 0 | 112.7 | R680 | D675-R680 PolarHBondContact O-NH1 2.88Š|
| 676 | S | 83.5 | Confident | 86.1 | Confident | 25 Ų | 25 | 37.3 Ų | 37.3 | 18% | 0.175 | 18% | 0.183 | C | C | . | . | trans | -84.2 | 123.9 | -178.7 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | D674 R678 V679 R680 | D674-S676 VanDerWaalsContact C-N 3.28Å; D674-S676 PolarHBondContact O-N 2.97Å; D674-S676 WeakPolarHBondContact OD1-CB 3.35Å; D674-S676 PolarHBondContact OD1-N 3.39Å; S676-R678 PolarHBondContact O-N 3.13Å; S676-R678 VanDerWaalsContact O-N 3.14Å; S676-V679 PolarHBondContact O-N 3.05Å; S676-V679 VanDerWaalsContact O-N 3.08Å; S676-R680 PolarHBondContact O-N 3.43Å; S676-R680 VanDerWaalsContact O-N 3.09Å | ||
| 677 | E | 80.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 37 Ų | 37 | 38% | 0.379 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -53 | -36.9 | 174.1 | -170.3 | -169.7 | 167.1 | 0 | 0 | 112.6 | V679 R680 H681 F831 | E677-V679 PolarHBondContact O-N 3.37Å; E677-R680 PolarHBondContact O-N 3.23Å; E677-H681 WeakPolarHBondContact O-CB 3.34Å; E677-H681 PolarHBondContact O-N 3.26Å; E677-F831 WeakPolarHBondContact OE1-CZ 3.41Å |
| 678 | R | 87.5 | Confident | 86.2 | Confident | 64 Ų | 64 | 37 Ų | 37 | 24% | 0.242 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.8 | -37.7 | -179.4 | -67.1 | -158.1 | -102.6 | 28.4 | 126.9 | 113.2 | L368 W600 S676 A682 | L368-R678 VanDerWaalsContact CD2-NE 3.34Å; W600-R678 VanDerWaalsContact CD2-NH1 3.32Å; W600-R678 HydrophobicContact CE3-CB 3.93Å; W600-R678 HydrophobicContact CZ3-CB 3.93Å; W600-R678 HydrophobicContact CZ3-CG 4.42Å; S676-R678 PolarHBondContact O-N 3.13Å; S676-R678 VanDerWaalsContact O-N 3.14Å; R678-A682 WeakPolarHBondContact O-CB 3.31Å; R678-A682 PolarHBondContact O-N 2.9Å |
| 679 | V | 89.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.4 | -43.2 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | W600 K603 V604 L671 D674 S676 E677 H681 A682 G683 | W600-V679 HydrophobicContact CB-CG2 3.74Å; K603-V679 HydrophobicContact CB-CG1 3.92Å; K603-V679 HydrophobicContact CB-CG2 4.09Å; K603-V679 HydrophobicContact CD-CG1 4.15Å; K603-V679 HydrophobicContact CD-CG2 4.34Å; V604-V679 HydrophobicContact CG2-CG2 4.08Å; L671-V679 HydrophobicContact CB-CG1 4.37Å; L671-V679 HydrophobicContact CD2-CG1 3.74Å; D674-V679 HydrophobicContact CB-CB 3.95Å; D674-V679 HydrophobicContact CB-CG1 3.7Å; S676-V679 PolarHBondContact O-N 3.05Å; S676-V679 VanDerWaalsContact O-N 3.08Å; E677-V679 PolarHBondContact O-N 3.37Å; V679-H681 VanDerWaalsContact C-N 3.32Å; V679-H681 PolarHBondContact O-N 2.92Å; V679-A682 PolarHBondContact O-N 3.48Å; V679-G683 PolarHBondContact O-N 3.16Å |
| 680 | R | 86.7 | Confident | 86.2 | Confident | 21 Ų | 21 | 32.6 Ų | 32.6 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 174.3 | -63.2 | -167.6 | -63.5 | -96 | 4.8 | 111.9 | D674 D675 S676 E677 G684 E828 | D674-R680 VanDerWaalsContact O-CD 3.3Å; D674-R680 WeakPolarHBondContact O-CD 3.43Å; D674-R680 VanDerWaalsContact O-CG 3.31Å; D674-R680 WeakPolarHBondContact O-CG 3.18Å; D674-R680 PolarHBondContact O-NH1 3.42Å; D675-R680 PolarHBondContact O-NH1 2.88Å; S676-R680 PolarHBondContact O-N 3.43Å; S676-R680 VanDerWaalsContact O-N 3.09Å; E677-R680 PolarHBondContact O-N 3.23Å; R680-G684 PolarHBondContact O-N 3.48Å; R680-E828 IonicContact NH2-OE1 2.81Å; R680-E828 IonicContact NH2-OE2 3.42Å; R680-E828 PolarHBondContact NH2-OE2 3.17Å |
| 681 | H | 87.7 | Confident | 86.2 | Confident | 77 Ų | 77 | 28.8 Ų | 28.8 | 36% | 0.356 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.1 | -48.6 | 176.9 | 179 | 74.9 | 0 | 0 | 0 | 112.5 | E677 V679 G683 G684 L685 Y780 | E677-H681 WeakPolarHBondContact O-CB 3.34Å; E677-H681 PolarHBondContact O-N 3.26Å; V679-H681 VanDerWaalsContact C-N 3.32Å; V679-H681 PolarHBondContact O-N 2.92Å; H681-G683 VanDerWaalsContact C-N 3.34Å; H681-G683 PolarHBondContact O-N 3.12Å; H681-G684 PolarHBondContact O-N 3.06Å; H681-L685 WeakPolarHBondContact O-CB 3.42Å; H681-L685 PolarHBondContact O-N 3.42Å; H681-Y780 HydrophobicContact CB-CE1 4.11Å; H681-Y780 PolarHBondContact CE1-OH 3.41Å; H681-Y780 AromaticContact ND1-CE1 3.58Å; H681-Y780 AromaticContact ND1-CZ 3.59Å; H681-Y780 PolarHBondContact ND1-OH 2.73Å |
| 682 | A | 88.4 | Confident | 85.8 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | V604 A607 R678 V679 L685 A686 | V604-A682 HydrophobicContact CB-CB 4.17Å; V604-A682 HydrophobicContact CG1-CB 3.83Å; V604-A682 HydrophobicContact CG2-CB 3.96Å; A607-A682 HydrophobicContact CB-CB 4.11Å; R678-A682 WeakPolarHBondContact O-CB 3.31Å; R678-A682 PolarHBondContact O-N 2.9Å; V679-A682 PolarHBondContact O-N 3.48Å; A682-L685 PolarHBondContact O-N 2.82Å; A682-A686 WeakPolarHBondContact O-CB 3.41Å; A682-A686 PolarHBondContact O-N 3.47Å |
| 683 | G | 89 | Confident | 85.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V679 H681 A686 V687 | V679-G683 PolarHBondContact O-N 3.16Å; H681-G683 VanDerWaalsContact C-N 3.34Å; H681-G683 PolarHBondContact O-N 3.12Å; G683-A686 WeakPolarHBondContact O-CB 3.45Å; G683-A686 PolarHBondContact O-N 3.41Å; G683-V687 WeakPolarHBondContact O-CG2 3.4Å; G683-V687 PolarHBondContact O-N 3Å |
| 684 | G | 88.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R680 H681 A686 V687 V688 | R680-G684 PolarHBondContact O-N 3.48Å; H681-G684 PolarHBondContact O-N 3.06Å; G684-A686 VanDerWaalsContact C-N 3.35Å; G684-A686 PolarHBondContact O-N 3.06Å; G684-V687 PolarHBondContact O-N 3.34Å; G684-V688 WeakPolarHBondContact O-CG2 3.44Å; G684-V688 PolarHBondContact O-N 3.01Å |
| 685 | L | 90 | Very high | 84.7 | Confident | 73 Ų | 73 | 36.6 Ų | 36.6 | 38% | 0.382 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 175 | -172.5 | 67.8 | 0 | 0 | 0 | 112 | H681 A682 V687 V688 N689 M784 | H681-L685 WeakPolarHBondContact O-CB 3.42Å; H681-L685 PolarHBondContact O-N 3.42Å; A682-L685 PolarHBondContact O-N 2.82Å; L685-V687 VanDerWaalsContact C-N 3.34Å; L685-V688 PolarHBondContact O-N 3.04Å; L685-N689 PolarHBondContact O-N 3.09Å; L685-N689 PolarHBondContact O-ND2 3.37Å; L685-M784 HydrophobicContact CB-CE 4.23Å; L685-M784 HydrophobicContact CD1-CE 4.04Å |
| 686 | A | 88.7 | Confident | 84.4 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A607 A611 L667 A682 G683 G684 N689 M690 | A607-A686 HydrophobicContact CB-CB 4.34Å; A611-A686 HydrophobicContact CB-CB 3.92Å; L667-A686 HydrophobicContact CD1-CB 4.17Å; L667-A686 HydrophobicContact CD2-CB 3.73Å; A682-A686 WeakPolarHBondContact O-CB 3.41Å; A682-A686 PolarHBondContact O-N 3.47Å; G683-A686 WeakPolarHBondContact O-CB 3.45Å; G683-A686 PolarHBondContact O-N 3.41Å; G684-A686 VanDerWaalsContact C-N 3.35Å; G684-A686 PolarHBondContact O-N 3.06Å; A686-N689 PolarHBondContact O-N 3.26Å; A686-M690 WeakPolarHBondContact O-CB 3.5Å; A686-M690 PolarHBondContact O-N 3.01Å |
| 687 | V | 90.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | L667 L668 L672 G683 G684 L685 N689 M690 V691 I757 I761 T781 L785 | L667-V687 HydrophobicContact CB-CG2 4.17Å; L667-V687 HydrophobicContact CD1-CG2 4.36Å; L668-V687 HydrophobicContact CD2-CG2 4.01Å; L672-V687 HydrophobicContact CD1-CG2 4.46Å; G683-V687 WeakPolarHBondContact O-CG2 3.4Å; G683-V687 PolarHBondContact O-N 3Å; G684-V687 PolarHBondContact O-N 3.34Å; L685-V687 VanDerWaalsContact C-N 3.34Å; V687-N689 VanDerWaalsContact C-N 3.3Å; V687-N689 PolarHBondContact O-N 3.32Å; V687-M690 WeakPolarHBondContact O-CB 3.24Å; V687-M690 PolarHBondContact O-N 3.01Å; V687-V691 PolarHBondContact O-N 3.47Å; V687-I757 HydrophobicContact CG1-CG2 3.75Å; V687-I761 HydrophobicContact CG1-CD1 4.4Å; V687-T781 HydrophobicContact CB-CG2 4.1Å; V687-T781 HydrophobicContact CG1-CG2 4.01Å; V687-L785 HydrophobicContact CG1-CD1 4.41Å |
| 688 | V | 89.3 | Confident | 82.9 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 175.3 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | G684 L685 V691 M784 L785 N788 F789 | G684-V688 WeakPolarHBondContact O-CG2 3.44Å; G684-V688 PolarHBondContact O-N 3.01Å; L685-V688 PolarHBondContact O-N 3.04Å; V688-V691 PolarHBondContact O-N 3.34Å; V688-M784 HydrophobicContact CG2-CB 4.17Å; V688-L785 HydrophobicContact CB-CD2 4.48Å; V688-L785 HydrophobicContact CG2-CD2 3.86Å; V688-L785 HydrophobicContact CG2-CG 4.22Å; V688-N788 HydrophobicContact CG1-CB 4.03Å; V688-F789 HydrophobicContact CG1-CE2 4.15Å |
| 689 | N | 84.4 | Confident | 81.6 | Confident | 34 Ų | 34 | 30 Ų | 30 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71 | -34.5 | 177.5 | -72.1 | -33.4 | 0 | 0 | 0 | 112.5 | A611 L685 A686 V687 V691 R692 R693 | A611-N689 HydrophobicContact CB-CB 4.36Å; A611-N689 WeakPolarHBondContact O-CB 3.35Å; L685-N689 PolarHBondContact O-N 3.09Å; L685-N689 PolarHBondContact O-ND2 3.37Å; A686-N689 PolarHBondContact O-N 3.26Å; V687-N689 VanDerWaalsContact C-N 3.3Å; V687-N689 PolarHBondContact O-N 3.32Å; N689-V691 VanDerWaalsContact C-N 3.31Å; N689-V691 PolarHBondContact O-N 2.82Å; N689-R692 PolarHBondContact O-N 3.06Å; N689-R692 VanDerWaalsContact O-N 3.08Å; N689-R693 PolarHBondContact O-N 3.49Å; N689-R693 VanDerWaalsContact O-N 3.07Å |
| 690 | M | 84.1 | Confident | 80.5 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.5 | -33.5 | 173.9 | -169.4 | 174.7 | 77.5 | 0 | 0 | 112.1 | F615 M664 L667 A686 V687 R692 R693 G694 I757 | F615-M690 HydrophobicContact CD2-CG 4.3Å; F615-M690 HydrophobicContact CE2-CG 3.86Å; F615-M690 HydrophobicContact CE2-SD 4.35Å; M664-M690 HydrophobicContact CB-CE 4Å; M664-M690 HydrophobicContact CB-SD 4.28Å; M664-M690 HydrophobicContact CG-CE 3.83Å; M664-M690 HydrophobicContact SD-CE 4.26Å; L667-M690 HydrophobicContact CD1-SD 4.26Å; A686-M690 WeakPolarHBondContact O-CB 3.5Å; A686-M690 PolarHBondContact O-N 3.01Å; V687-M690 WeakPolarHBondContact O-CB 3.24Å; V687-M690 PolarHBondContact O-N 3.01Å; M690-R692 VanDerWaalsContact C-N 3.27Å; M690-R692 PolarHBondContact O-N 2.68Å; M690-R693 PolarHBondContact O-N 2.62Å; M690-G694 VanDerWaalsContact O-CA 3.26Å; M690-G694 WeakPolarHBondContact O-CA 3.3Å; M690-G694 PolarHBondContact O-N 2.92Å; M690-I757 HydrophobicContact CE-CD1 3.67Å; M690-I757 HydrophobicContact CE-CG1 4.05Å |
| 691 | V | 84 | Confident | 79.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -38.2 | 171.9 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | V687 V688 N689 V750 N753 L754 I757 L785 F789 | V687-V691 PolarHBondContact O-N 3.47Å; V688-V691 PolarHBondContact O-N 3.34Å; N689-V691 VanDerWaalsContact C-N 3.31Å; N689-V691 PolarHBondContact O-N 2.82Å; V691-V750 HydrophobicContact CG1-CG1 4.09Å; V691-N753 HydrophobicContact CG1-CB 4.49Å; V691-L754 HydrophobicContact CG1-CB 4.05Å; V691-L754 HydrophobicContact CG1-CD1 4.22Å; V691-L754 HydrophobicContact CG2-CD1 4.13Å; V691-I757 HydrophobicContact CB-CD1 4.4Å; V691-I757 HydrophobicContact CG2-CD1 3.51Å; V691-I757 HydrophobicContact CG2-CG2 4.5Å; V691-L785 HydrophobicContact CG2-CD2 3.82Å; V691-F789 HydrophobicContact CB-CE2 3.93Å; V691-F789 HydrophobicContact CB-CZ 4.03Å; V691-F789 HydrophobicContact CG1-CD2 4.38Å; V691-F789 HydrophobicContact CG1-CE1 4.28Å; V691-F789 HydrophobicContact CG1-CE2 3.76Å; V691-F789 HydrophobicContact CG1-CZ 3.69Å; V691-F789 HydrophobicContact CG2-CE2 4.43Å |
| 692 | R | 79 | Confident | 78.4 | Confident | 115 Ų | 115 | 26.8 Ų | 26.8 | 43% | 0.434 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -75.6 | -26.8 | 179.7 | -59.5 | -176.4 | 179.2 | 171.6 | 2.1 | 113.2 | N689 M690 N788 F789 | N689-R692 PolarHBondContact O-N 3.06Å; N689-R692 VanDerWaalsContact O-N 3.08Å; M690-R692 VanDerWaalsContact C-N 3.27Å; M690-R692 PolarHBondContact O-N 2.68Å; R692-N788 PolarHBondContact NH2-OD1 3.47Å; R692-N788 VanDerWaalsContact NH2-OD1 3.08Å; R692-F789 HydrophobicContact CG-CE1 4.3Å; R692-F789 HydrophobicContact CG-CZ 3.74Å |
| 693 | R | 77.9 | Confident | 77.4 | Confident | 94 Ų | 94 | 27.2 Ų | 27.2 | 36% | 0.355 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -120.4 | 0.4 | -170.5 | -62.4 | -171.8 | -179.3 | 169.3 | 12 | 115 | D612 F615 N689 M690 R707 | D612-R693 VanDerWaalsContact C-NH1 3.3Å; D612-R693 VanDerWaalsContact CA-NH1 3.25Å; D612-R693 PolarHBondContact O-NH1 3.49Å; D612-R693 IonicContact OD1-CZ 2.8Å; D612-R693 IonicContact OD1-NH1 3.41Å; D612-R693 PolarHBondContact OD1-NH1 3.32Å; D612-R693 VanDerWaalsContact OD1-NH1 3.12Å; D612-R693 IonicContact OD1-NH2 3.49Å; F615-R693 PolarHBondContact N-O 3.33Å; F615-R693 VanDerWaalsContact N-O 3.07Å; N689-R693 PolarHBondContact O-N 3.49Å; N689-R693 VanDerWaalsContact O-N 3.07Å; M690-R693 PolarHBondContact O-N 2.62Å; R693-R707 PolarHBondContact O-NH1 2.63Å |
| 694 | G | 74.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -74.3 | 159.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M690 R707 N753 | M690-G694 VanDerWaalsContact O-CA 3.26Å; M690-G694 WeakPolarHBondContact O-CA 3.3Å; M690-G694 PolarHBondContact O-N 2.92Å; G694-R707 PolarHBondContact O-NH1 3.09Å; G694-R707 PolarHBondContact O-NH2 3.2Å; G694-N753 PolarHBondContact O-ND2 3.38Å | ||
| 695 | H | 76.8 | Confident | 75.2 | Confident | 18 Ų | 18 | 29.4 Ų | 29.4 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | trans | -131.6 | 119.7 | 172.5 | 179.5 | 66.4 | 0 | 0 | 0 | 110.5 | Q660 G698 | Q660-H695 VanDerWaalsContact CD-O 3.3Å; Q660-H695 PolarHBondContact NE2-O 3.32Å; Q660-H695 PolarHBondContact OE1-O 3.41Å; H695-G698 PolarHBondContact CE1-O 3.45Å; H695-G698 VanDerWaalsContact CE1-O 3.29Å | ||
| 696 | F | 72.9 | Confident | 74 | Confident | 54 Ų | 54 | 26.5 Ų | 26.5 | 24% | 0.237 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -123.6 | -32.7 | 174.7 | -65.5 | -81.2 | 0 | 0 | 0 | 113 | M664 F752 N753 T756 I757 | M664-F696 HydrophobicContact SD-CE1 4.5Å; M664-F696 HydrophobicContact SD-CZ 4.14Å; F696-F752 HydrophobicContact CB-CD1 3.96Å; F696-F752 HydrophobicContact CB-CE1 3.55Å; F696-F752 HydrophobicContact CG-CE1 4.49Å; F696-N753 HydrophobicContact CD2-CB 4.35Å; F696-N753 WeakPolarHBondContact CD2-OD1 3.41Å; F696-N753 HydrophobicContact CE2-CB 4.5Å; F696-T756 HydrophobicContact CD1-CG2 4.1Å; F696-T756 HydrophobicContact CE1-CG2 3.89Å; F696-T756 HydrophobicContact CE2-CG2 4.34Å; F696-T756 HydrophobicContact CG-CG2 4.42Å; F696-T756 HydrophobicContact CZ-CG2 4Å; F696-I757 HydrophobicContact CE2-CD1 4.49Å; F696-I757 HydrophobicContact CE2-CG1 4.49Å |
| 697 | V | 67.3 | Low | 72.9 | Confident | 62 Ų | 62 | 27.8 Ų | 27.8 | 38% | 0.376 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -146 | 139.2 | -177.6 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | L703 F752 P1064 | V697-L703 WeakPolarHBondContact O-CD1 3.35Å; V697-F752 HydrophobicContact CB-CD1 4.37Å; V697-F752 HydrophobicContact CB-CE1 4.12Å; V697-F752 HydrophobicContact CB-CZ 4.34Å; V697-F752 HydrophobicContact CG2-CD1 4.11Å; V697-F752 HydrophobicContact CG2-CE1 3.39Å; V697-F752 HydrophobicContact CG2-CE2 4.06Å; V697-F752 HydrophobicContact CG2-CZ 3.35Å; V697-P1064 HydrophobicContact CG1-CG 3.93Å |
| 698 | G | 64.3 | Low | 71.7 | Confident | 26 Ų | 26 | 30.6 Ų | 30.6 | 27% | 0.268 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 119.4 | 178.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H695 | H695-G698 PolarHBondContact CE1-O 3.45Å; H695-G698 VanDerWaalsContact CE1-O 3.29Å |
| 699 | D | 60.5 | Low | 70.3 | Confident | 35 Ų | 35 | 31 Ų | 31 | 19% | 0.187 | 15% | 0.148 | C | C | . | . | trans | -78.5 | 120.4 | 170.8 | -178.8 | -47.6 | 0 | 0 | 0 | 108.8 | M701 L702 L703 K1494 | D699-M701 VanDerWaalsContact C-N 3.26Å; D699-M701 PolarHBondContact O-N 2.65Å; D699-M701 WeakPolarHBondContact OD1-CB 3.05Å; D699-M701 PolarHBondContact OD1-N 3.04Å; D699-L702 HydrophobicContact CB-CB 4.31Å; D699-L702 HydrophobicContact CB-CD1 4.21Å; D699-L702 PolarHBondContact O-N 3.21Å; D699-L702 PolarHBondContact OD1-N 3.43Å; D699-L703 PolarHBondContact O-N 3.38Å; D699-L703 VanDerWaalsContact O-N 3.09Å; D699-K1494 IonicContact OD2-NZ 3.48Å; D699-K1494 PolarHBondContact OD2-NZ 2.99Å | ||
| 700 | E | 67.1 | Low | 69.1 | Low | 13 Ų | 13 | 29.6 Ų | 29.6 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.2 | -35.3 | -171.3 | -62.8 | 115.8 | 157.1 | 0 | 0 | 112.8 | S619 M620 K623 K704 | S619-E700 WeakPolarHBondContact CB-OE1 3.47Å; S619-E700 PolarHBondContact OG-OE1 3.06Å; M620-E700 HydrophobicContact CG-CB 3.45Å; M620-E700 VanDerWaalsContact CG-CB 3.45Å; M620-E700 HydrophobicContact CG-CG 4.09Å; M620-E700 HydrophobicContact SD-CB 4.03Å; K623-E700 WeakPolarHBondContact CE-OE1 3.49Å; K623-E700 IonicContact NZ-OE1 3.5Å; K623-E700 PolarHBondContact NZ-OE1 3.01Å; K623-E700 IonicContact NZ-OE2 2.72Å; K623-E700 PolarHBondContact NZ-OE2 3.35Å; E700-K704 PolarHBondContact O-N 3.2Å; E700-K704 VanDerWaalsContact O-N 3.16Å |
| 701 | M | 63.8 | Low | 67.7 | Low | 15 Ų | 15 | 34.4 Ų | 34.4 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -74.4 | -44 | -176.5 | 176.3 | -96.4 | -92.6 | 0 | 0 | 111.1 | M620 D699 K704 L705 V1487 I1491 K1494 | M620-M701 HydrophobicContact SD-CB 4.13Å; D699-M701 VanDerWaalsContact C-N 3.26Å; D699-M701 PolarHBondContact O-N 2.65Å; D699-M701 WeakPolarHBondContact OD1-CB 3.05Å; D699-M701 PolarHBondContact OD1-N 3.04Å; M701-K704 PolarHBondContact O-N 3.14Å; M701-L705 PolarHBondContact O-N 2.87Å; M701-V1487 HydrophobicContact CG-CG1 3.66Å; M701-I1491 HydrophobicContact CE-CB 4.22Å; M701-I1491 HydrophobicContact CE-CD1 4.47Å; M701-I1491 HydrophobicContact CE-CG1 3.34Å; M701-I1491 HydrophobicContact CG-CD1 4.03Å; M701-I1491 HydrophobicContact CG-CG1 3.86Å; M701-I1491 HydrophobicContact SD-CD1 3.91Å; M701-I1491 HydrophobicContact SD-CG1 3.29Å; M701-I1491 WeakPolarHBondContact SD-CG1 3.44Å; M701-K1494 HydrophobicContact CE-CD 4.26Å |
| 702 | L | 66.4 | Low | 66.3 | Low | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67 | -37.6 | 177.8 | -75.9 | 173.4 | 0 | 0 | 0 | 112.4 | D699 L705 T706 I1065 V1068 F1071 | D699-L702 HydrophobicContact CB-CB 4.31Å; D699-L702 HydrophobicContact CB-CD1 4.21Å; D699-L702 PolarHBondContact O-N 3.21Å; D699-L702 PolarHBondContact OD1-N 3.43Å; L702-L705 PolarHBondContact O-N 3.45Å; L702-T706 WeakPolarHBondContact O-CB 3.39Å; L702-T706 PolarHBondContact O-N 3.07Å; L702-T706 PolarHBondContact O-OG1 2.75Å; L702-I1065 HydrophobicContact CD1-CG2 3.93Å; L702-V1068 HydrophobicContact CD1-CG2 3.95Å; L702-V1068 HydrophobicContact CD2-CG2 3.91Å; L702-V1068 HydrophobicContact CG-CG2 4.17Å; L702-F1071 HydrophobicContact CD2-CB 3.86Å; L702-F1071 HydrophobicContact CD2-CD1 4.31Å; L702-F1071 HydrophobicContact CD2-CD2 4.43Å; L702-F1071 HydrophobicContact CD2-CG 3.93Å |
| 703 | L | 67.1 | Low | 64.9 | Low | 20 Ų | 20 | 30.5 Ų | 30.5 | 11% | 0.105 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 173.5 | -87.7 | 152.8 | 0 | 0 | 0 | 111.9 | V697 D699 L705 T706 R707 D749 | V697-L703 WeakPolarHBondContact O-CD1 3.35Å; D699-L703 PolarHBondContact O-N 3.38Å; D699-L703 VanDerWaalsContact O-N 3.09Å; L703-L705 VanDerWaalsContact C-N 3.32Å; L703-L705 PolarHBondContact O-N 2.89Å; L703-T706 PolarHBondContact O-N 2.63Å; L703-R707 WeakPolarHBondContact O-CB 3.16Å; L703-R707 WeakPolarHBondContact O-CG 3.38Å; L703-R707 PolarHBondContact O-N 2.67Å; L703-D749 HydrophobicContact CD2-CB 3.9Å; L703-D749 WeakPolarHBondContact CD2-OD2 3.24Å |
| 704 | K | 66.6 | Low | 63.5 | Low | 40 Ų | 40 | 29.8 Ų | 29.8 | 17% | 0.174 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 176.5 | -170.8 | 171.4 | -175 | 171.4 | 0 | 111.3 | E617 E700 M701 R707 Q708 | E617-K704 IonicContact OE1-NZ 2.73Å; E617-K704 IonicContact OE2-NZ 3.52Å; E617-K704 PolarHBondContact OE2-NZ 3.29Å; E700-K704 PolarHBondContact O-N 3.2Å; E700-K704 VanDerWaalsContact O-N 3.16Å; M701-K704 PolarHBondContact O-N 3.14Å; K704-R707 PolarHBondContact O-N 2.89Å; K704-Q708 WeakPolarHBondContact O-CG 3.33Å; K704-Q708 PolarHBondContact O-N 3.4Å |
| 705 | L | 65 | Low | 62.2 | Low | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 178.4 | -149.6 | 118.6 | 0 | 0 | 0 | 111.5 | M701 L702 L703 R707 Q708 Y709 F1071 A1455 F1459 I1491 | M701-L705 PolarHBondContact O-N 2.87Å; L702-L705 PolarHBondContact O-N 3.45Å; L703-L705 VanDerWaalsContact C-N 3.32Å; L703-L705 PolarHBondContact O-N 2.89Å; L705-R707 PolarHBondContact O-N 3.38Å; L705-Q708 PolarHBondContact O-N 2.97Å; L705-Y709 HydrophobicContact CD2-CD2 3.81Å; L705-Y709 HydrophobicContact CD2-CE2 3.59Å; L705-Y709 HydrophobicContact CG-CD2 4.25Å; L705-Y709 HydrophobicContact CG-CE2 4.17Å; L705-Y709 WeakPolarHBondContact O-CD2 3.3Å; L705-Y709 PolarHBondContact O-N 3.43Å; L705-F1071 HydrophobicContact CD2-CD1 4.34Å; L705-F1071 HydrophobicContact CD2-CE1 3.39Å; L705-F1071 HydrophobicContact CD2-CE2 4.35Å; L705-F1071 HydrophobicContact CD2-CZ 3.42Å; L705-F1071 VanDerWaalsContact CD2-CZ 3.42Å; L705-A1455 HydrophobicContact CD1-CB 4.23Å; L705-F1459 HydrophobicContact CD1-CB 4.35Å; L705-F1459 HydrophobicContact CD1-CD2 4.11Å; L705-F1459 HydrophobicContact CD2-CB 4.36Å; L705-F1459 HydrophobicContact CD2-CD2 3.57Å; L705-F1459 HydrophobicContact CD2-CE2 3.97Å; L705-F1459 HydrophobicContact CD2-CG 4.01Å; L705-F1459 HydrophobicContact CG-CD2 4.48Å; L705-I1491 HydrophobicContact CD1-CD1 3.72Å |
| 706 | T | 64.4 | Low | 60.7 | Low | 13 Ų | 13 | 35.7 Ų | 35.7 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 178.5 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | L702 L703 Q708 Y709 A710 L745 L746 F1071 | L702-T706 WeakPolarHBondContact O-CB 3.39Å; L702-T706 PolarHBondContact O-N 3.07Å; L702-T706 PolarHBondContact O-OG1 2.75Å; L703-T706 PolarHBondContact O-N 2.63Å; T706-Q708 VanDerWaalsContact C-N 3.32Å; T706-Q708 PolarHBondContact O-N 2.88Å; T706-Y709 PolarHBondContact O-N 3.37Å; T706-A710 WeakPolarHBondContact O-CB 3.43Å; T706-A710 PolarHBondContact O-N 2.92Å; T706-L745 HydrophobicContact CG2-CB 4.28Å; T706-L746 HydrophobicContact CG2-CD2 4.26Å; T706-L746 HydrophobicContact CG2-CG 4.34Å; T706-F1071 WeakPolarHBondContact OG1-CE2 3.35Å |
| 707 | R | 66.1 | Low | 59.2 | Low | 28 Ų | 28 | 36 Ų | 36 | 11% | 0.106 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -35.6 | 175.3 | -73.9 | 176.4 | -178.1 | 176.5 | -1.8 | 113.3 | C616 R693 G694 L703 K704 L705 A710 L711 L746 D749 N753 | C616-R707 PolarHBondContact SG-NH1 3.39Å; C616-R707 VanDerWaalsContact SG-NH1 3.36Å; R693-R707 PolarHBondContact O-NH1 2.63Å; G694-R707 PolarHBondContact O-NH1 3.09Å; G694-R707 PolarHBondContact O-NH2 3.2Å; L703-R707 WeakPolarHBondContact O-CB 3.16Å; L703-R707 WeakPolarHBondContact O-CG 3.38Å; L703-R707 PolarHBondContact O-N 2.67Å; K704-R707 PolarHBondContact O-N 2.89Å; L705-R707 PolarHBondContact O-N 3.38Å; R707-A710 WeakPolarHBondContact O-CB 3.28Å; R707-L711 WeakPolarHBondContact O-CD1 3.28Å; R707-L711 WeakPolarHBondContact O-CG 3.48Å; R707-L711 PolarHBondContact O-N 3.41Å; R707-L746 HydrophobicContact CB-CD2 4.35Å; R707-L746 HydrophobicContact CG-CD2 3.94Å; R707-D749 IonicContact CZ-OD2 2.68Å; R707-D749 VanDerWaalsContact CZ-OD2 3.26Å; R707-D749 IonicContact NE-OD2 2.93Å; R707-D749 PolarHBondContact NE-OD2 3.22Å; R707-D749 IonicContact NH2-OD1 2.66Å; R707-D749 PolarHBondContact NH2-OD1 3.01Å; R707-D749 IonicContact NH2-OD2 2.82Å; R707-D749 PolarHBondContact NH2-OD2 3.38Å; R707-N753 PolarHBondContact NH2-ND2 3.17Å |
| 708 | Q | 63.4 | Low | 58.1 | Low | 59 Ų | 59 | 35.8 Ų | 35.8 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -75.2 | -41.4 | 177.7 | -68.7 | -174.2 | 6 | 0 | 0 | 111.8 | K704 L705 T706 A710 L711 C712 P1456 | K704-Q708 WeakPolarHBondContact O-CG 3.33Å; K704-Q708 PolarHBondContact O-N 3.4Å; L705-Q708 PolarHBondContact O-N 2.97Å; T706-Q708 VanDerWaalsContact C-N 3.32Å; T706-Q708 PolarHBondContact O-N 2.88Å; Q708-A710 VanDerWaalsContact C-N 3.31Å; Q708-A710 PolarHBondContact O-N 3.29Å; Q708-L711 PolarHBondContact O-N 3.03Å; Q708-C712 PolarHBondContact O-N 3.06Å; Q708-C712 PolarHBondContact O-SG 3.27Å; Q708-P1456 HydrophobicContact CB-CG 3.75Å |
| 709 | Y | 61.5 | Low | 57.1 | Low | 12 Ų | 12 | 36.3 Ų | 36.3 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 173 | -91.2 | -78 | 0 | 0 | 0 | 112.9 | L705 T706 L711 C712 S713 F1071 Y1075 P1456 F1459 N1460 | L705-Y709 HydrophobicContact CD2-CD2 3.81Å; L705-Y709 HydrophobicContact CD2-CE2 3.59Å; L705-Y709 HydrophobicContact CG-CD2 4.25Å; L705-Y709 HydrophobicContact CG-CE2 4.17Å; L705-Y709 WeakPolarHBondContact O-CD2 3.3Å; L705-Y709 PolarHBondContact O-N 3.43Å; T706-Y709 PolarHBondContact O-N 3.37Å; Y709-L711 PolarHBondContact O-N 3.19Å; Y709-C712 PolarHBondContact O-N 3.41Å; Y709-S713 WeakPolarHBondContact O-CB 3.36Å; Y709-S713 PolarHBondContact O-N 3.01Å; Y709-F1071 HydrophobicContact CD2-CZ 4.24Å; Y709-Y1075 HydrophobicContact CD1-CE2 4.28Å; Y709-Y1075 AromaticContact CE1-CE2 3.75Å; Y709-Y1075 HydrophobicContact CE1-CE2 3.75Å; Y709-P1456 HydrophobicContact CD1-CB 4.34Å; Y709-P1456 HydrophobicContact CD2-CB 4.26Å; Y709-P1456 HydrophobicContact CD2-CG 4.45Å; Y709-P1456 HydrophobicContact CE1-CB 4.02Å; Y709-P1456 HydrophobicContact CE2-CB 3.92Å; Y709-P1456 HydrophobicContact CE2-CG 4.49Å; Y709-P1456 HydrophobicContact CG-CB 4.45Å; Y709-P1456 PolarHBondContact OH-O 3.36Å; Y709-F1459 HydrophobicContact CE2-CB 4.15Å; Y709-F1459 HydrophobicContact CE2-CD1 4.14Å; Y709-F1459 HydrophobicContact CE2-CG 4.16Å; Y709-F1459 AromaticContact CZ-CD1 3.92Å; Y709-F1459 WeakPolarHBondContact OH-CD1 3.43Å; Y709-N1460 VanDerWaalsContact OH-CG 3.28Å; Y709-N1460 PolarHBondContact OH-ND2 3.07Å; Y709-N1460 PolarHBondContact OH-OD1 3.11Å |
| 710 | A | 58 | Low | 56.3 | Low | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.7 | -49.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T706 R707 Q708 C712 S713 Q714 L746 | T706-A710 WeakPolarHBondContact O-CB 3.43Å; T706-A710 PolarHBondContact O-N 2.92Å; R707-A710 WeakPolarHBondContact O-CB 3.28Å; Q708-A710 VanDerWaalsContact C-N 3.31Å; Q708-A710 PolarHBondContact O-N 3.29Å; A710-C712 VanDerWaalsContact C-N 3.26Å; A710-C712 PolarHBondContact O-N 3.24Å; A710-S713 PolarHBondContact O-N 3.36Å; A710-S713 VanDerWaalsContact O-N 3.12Å; A710-Q714 WeakPolarHBondContact O-CB 3.34Å; A710-Q714 PolarHBondContact O-N 2.67Å; A710-L746 HydrophobicContact CB-CD1 3.01Å; A710-L746 HydrophobicContact CB-CD2 3.4Å; A710-L746 VanDerWaalsContact CB-CD2 3.4Å; A710-L746 HydrophobicContact CB-CG 3.7Å |
| 711 | L | 55.1 | Low | 55.1 | Low | 105 Ų | 105 | 39.2 Ų | 39.2 | 55% | 0.55 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68 | -32 | -175.5 | -73 | 166.1 | 0 | 0 | 0 | 110.9 | R707 Q708 Y709 | R707-L711 WeakPolarHBondContact O-CD1 3.28Å; R707-L711 WeakPolarHBondContact O-CG 3.48Å; R707-L711 PolarHBondContact O-N 3.41Å; Q708-L711 PolarHBondContact O-N 3.03Å; Y709-L711 PolarHBondContact O-N 3.19Å |
| 712 | C | 53.6 | Low | 54.1 | Low | 24 Ų | 24 | 44.4 Ų | 44.4 | 16% | 0.162 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.3 | -37.9 | 171.2 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | Q708 Y709 A710 | Q708-C712 PolarHBondContact O-N 3.06Å; Q708-C712 PolarHBondContact O-SG 3.27Å; Y709-C712 PolarHBondContact O-N 3.41Å; A710-C712 VanDerWaalsContact C-N 3.26Å; A710-C712 PolarHBondContact O-N 3.24Å |
| 713 | S | 50.9 | Low | 52.8 | Low | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -80.8 | -43.2 | -176 | -174.8 | 0 | 0 | 0 | 0 | 114.8 | Y709 A710 R715 S716 | Y709-S713 WeakPolarHBondContact O-CB 3.36Å; Y709-S713 PolarHBondContact O-N 3.01Å; A710-S713 PolarHBondContact O-N 3.36Å; A710-S713 VanDerWaalsContact O-N 3.12Å; S713-R715 PolarHBondContact O-N 2.85Å; S713-S716 WeakPolarHBondContact O-CB 3.49Å; S713-S716 PolarHBondContact O-N 3.32Å; S713-S716 PolarHBondContact O-OG 3.19Å |
| 714 | Q | 49.1 | Very low | 51.4 | Low | 80 Ų | 80 | 52.3 Ų | 52.3 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -59.7 | -21.6 | -176.8 | -83.5 | -175.2 | -7.8 | 0 | 0 | 114.2 | A710 S716 D743 | A710-Q714 WeakPolarHBondContact O-CB 3.34Å; A710-Q714 PolarHBondContact O-N 2.67Å; Q714-S716 PolarHBondContact O-N 2.64Å; Q714-D743 WeakPolarHBondContact CG-OD1 3.41Å; Q714-D743 PolarHBondContact NE2-OD1 2.93Å |
| 715 | R | 47.2 | Very low | 49.9 | Very low | 114 Ų | 114 | 55.1 Ų | 55.1 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -74.3 | -7.8 | 177.9 | -69.7 | 178 | 174.5 | 166.2 | 1 | 113.6 | S713 Q1283 | S713-R715 PolarHBondContact O-N 2.85Å; R715-Q1283 HydrophobicContact CB-CB 3.97Å; R715-Q1283 HydrophobicContact CB-CG 3.72Å |
| 716 | S | 44.2 | Very low | 48.5 | Very low | 28 Ų | 28 | 57.4 Ų | 57.4 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -93.4 | -3.8 | -175.7 | 75.7 | 0 | 0 | 0 | 0 | 116.7 | S713 Q714 T1287 | S713-S716 WeakPolarHBondContact O-CB 3.49Å; S713-S716 PolarHBondContact O-N 3.32Å; S713-S716 PolarHBondContact O-OG 3.19Å; Q714-S716 PolarHBondContact O-N 2.64Å; S716-T1287 PolarHBondContact O-OG1 3.47Å |
| 717 | R | 42.7 | Very low | 47.4 | Very low | 59 Ų | 59 | 65.3 Ų | 65.3 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -113.6 | -2.8 | -170.6 | -64.4 | -144.5 | -157.5 | 103.1 | 37.4 | 116.2 | T719 E740 D743 | R717-T719 PolarHBondContact O-N 2.76Å; R717-E740 VanDerWaalsContact CZ-CG 3.47Å; R717-E740 IonicContact CZ-OE1 3.25Å; R717-E740 IonicContact CZ-OE2 2.66Å; R717-E740 VanDerWaalsContact CZ-OE2 3.29Å; R717-E740 IonicContact NE-OE1 3.47Å; R717-E740 PolarHBondContact NE-OE1 3.03Å; R717-E740 IonicContact NE-OE2 3.02Å; R717-E740 PolarHBondContact NE-OE2 3.43Å; R717-E740 IonicContact NH2-OE1 3.99Å; R717-E740 IonicContact NH2-OE2 3.65Å; R717-E740 PolarHBondContact NH2-OE2 3.21Å; R717-D743 IonicContact CZ-OD2 3.7Å; R717-D743 IonicContact NH1-OD2 3.37Å; R717-D743 PolarHBondContact NH1-OD2 2.9Å; R717-D743 IonicContact NH2-OD2 3.2Å; R717-D743 PolarHBondContact NH2-OD2 3.26Å |
| 718 | T | 42.7 | Very low | 46 | Very low | 58 Ų | 58 | 65.9 Ų | 65.9 | 36% | 0.356 | 33% | 0.332 | S | S | . | . | trans | -89.4 | 81.7 | -177.8 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | W720 L1284 | T718-W720 PolarHBondContact O-N 3.49Å; T718-L1284 VanDerWaalsContact C-CD1 3.46Å; T718-L1284 WeakPolarHBondContact O-CD1 3.45Å; T718-L1284 WeakPolarHBondContact O-CD2 3.13Å; T718-L1284 WeakPolarHBondContact O-CG 3.22Å | ||
| 719 | T | 44.1 | Very low | 45 | Very low | 37 Ų | 37 | 66.2 Ų | 66.2 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | trans | -45.3 | 141.8 | 169 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | R717 L721 R722 | R717-T719 PolarHBondContact O-N 2.76Å; T719-L721 PolarHBondContact O-N 3.27Å; T719-R722 PolarHBondContact O-N 3.09Å | ||
| 720 | W | 44 | Very low | 44 | Very low | 71 Ų | 71 | 68.3 Ų | 68.3 | 27% | 0.269 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -22.7 | -174 | -81.9 | 82 | 0 | 0 | 0 | 112.8 | T718 R722 P1238 E1239 D1242 L1284 | T718-W720 PolarHBondContact O-N 3.49Å; W720-R722 VanDerWaalsContact C-N 3.29Å; W720-R722 PolarHBondContact O-N 3.39Å; W720-P1238 HydrophobicContact CZ2-CB 4.08Å; W720-P1238 HydrophobicContact CZ2-CG 3.97Å; W720-E1239 HydrophobicContact CD2-CG 4.49Å; W720-E1239 HydrophobicContact CE3-CG 4.16Å; W720-E1239 HydrophobicContact CH2-CG 4.08Å; W720-E1239 HydrophobicContact CZ2-CG 4.42Å; W720-E1239 HydrophobicContact CZ3-CG 3.95Å; W720-D1242 WeakPolarHBondContact CB-OD2 3.13Å; W720-D1242 VanDerWaalsContact CD1-OD2 3.22Å; W720-D1242 PolarHBondContact N-OD2 2.94Å; W720-L1284 HydrophobicContact CD2-CD2 4.45Å; W720-L1284 HydrophobicContact CG-CD2 4.23Å |
| 721 | L | 42.1 | Very low | 43.1 | Very low | 38 Ų | 38 | 70.5 Ų | 70.5 | 20% | 0.199 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.3 | -25.4 | 176 | -60.8 | 168.5 | 0 | 0 | 0 | 114.5 | T719 G723 F725 H1199 | T719-L721 PolarHBondContact O-N 3.27Å; L721-G723 PolarHBondContact O-N 2.99Å; L721-F725 HydrophobicContact CB-CD2 4.12Å; L721-F725 HydrophobicContact CB-CE2 3.85Å; L721-F725 HydrophobicContact CD2-CD2 4.26Å; L721-F725 HydrophobicContact CD2-CE2 3.3Å; L721-F725 HydrophobicContact CD2-CZ 3.86Å; L721-F725 HydrophobicContact CG-CE2 4.08Å; L721-F725 VanDerWaalsContact O-CD2 3.25Å; L721-F725 WeakPolarHBondContact O-CD2 3.47Å; L721-H1199 VanDerWaalsContact CD1-CE1 3.41Å; L721-H1199 WeakPolarHBondContact CD1-CE1 3.3Å; L721-H1199 WeakPolarHBondContact CD2-CE1 3.49Å; L721-H1199 WeakPolarHBondContact CD2-NE2 3.36Å |
| 722 | R | 43 | Very low | 42.3 | Very low | 124 Ų | 124 | 66.7 Ų | 66.7 | 47% | 0.468 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.6 | -29.8 | -174.1 | -87.5 | -176.1 | 155.4 | -175.2 | -14.5 | 115.2 | T719 W720 Q737 | T719-R722 PolarHBondContact O-N 3.09Å; W720-R722 VanDerWaalsContact C-N 3.29Å; W720-R722 PolarHBondContact O-N 3.39Å; R722-Q737 VanDerWaalsContact CZ-OE1 3.28Å |
| 723 | G | 39.2 | Very low | 41.6 | Very low | 63 Ų | 63 | 68.2 Ų | 68.2 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -89.5 | -29.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L721 | L721-G723 PolarHBondContact O-N 2.99Å |
| 724 | N | 37 | Very low | 41 | Very low | 128 Ų | 128 | 72.4 Ų | 72.4 | 68% | 0.684 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -122.5 | -4.7 | -161.3 | -68.4 | -10.5 | 0 | 0 | 0 | 115.3 | ||
| 725 | F | 35.2 | Very low | 40.5 | Very low | 99 Ų | 99 | 74.8 Ų | 74.8 | 43% | 0.434 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -66 | 135.6 | 160.6 | -81.1 | -67.6 | 0 | 0 | 0 | 107.5 | L721 K727 I1200 | L721-F725 HydrophobicContact CB-CD2 4.12Å; L721-F725 HydrophobicContact CB-CE2 3.85Å; L721-F725 HydrophobicContact CD2-CD2 4.26Å; L721-F725 HydrophobicContact CD2-CE2 3.3Å; L721-F725 HydrophobicContact CD2-CZ 3.86Å; L721-F725 HydrophobicContact CG-CE2 4.08Å; L721-F725 VanDerWaalsContact O-CD2 3.25Å; L721-F725 WeakPolarHBondContact O-CD2 3.47Å; F725-K727 PolarHBondContact O-N 3.33Å; F725-I1200 HydrophobicContact CE1-CG1 4.48Å |
| 726 | P | 34.5 | Very low | 40 | Very low | 53 Ų | 53 | 73.1 Ų | 73.1 | 34% | 0.344 | 39% | 0.392 | S | S | . | . | trans | -51.4 | 151.6 | 168.6 | -10.4 | 21 | 0 | 0 | 0 | 107.2 | I728 A1153 N1157 | P726-I728 HydrophobicContact CB-CD1 4.21Å; P726-I728 HydrophobicContact CB-CG1 3.68Å; P726-I728 HydrophobicContact CG-CD1 3.89Å; P726-I728 HydrophobicContact CG-CG1 3.95Å; P726-I728 WeakPolarHBondContact O-CG1 3.46Å; P726-I728 PolarHBondContact O-N 3.27Å; P726-A1153 HydrophobicContact CG-CB 4.5Å; P726-N1157 WeakPolarHBondContact CB-ND2 3.4Å | ||
| 727 | K | 41.6 | Very low | 39.7 | Very low | 178 Ų | 178 | 75.3 Ų | 75.3 | 77% | 0.774 | 40% | 0.399 | S | S | * | . | trans | -65.5 | 54.8 | 172.4 | -64.3 | 173.9 | 177.9 | 174.5 | 0 | 110.5 | F725 H729 S730 | F725-K727 PolarHBondContact O-N 3.33Å; K727-H729 PolarHBondContact O-N 3.14Å; K727-H729 VanDerWaalsContact O-N 3.08Å; K727-S730 PolarHBondContact O-N 2.71Å | ||
| 728 | I | 37 | Very low | 39.5 | Very low | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.205 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.9 | -178.8 | -55.8 | 179.6 | 0 | 0 | 0 | 110.2 | P726 K1032 N1157 | P726-I728 HydrophobicContact CB-CD1 4.21Å; P726-I728 HydrophobicContact CB-CG1 3.68Å; P726-I728 HydrophobicContact CG-CD1 3.89Å; P726-I728 HydrophobicContact CG-CG1 3.95Å; P726-I728 WeakPolarHBondContact O-CG1 3.46Å; P726-I728 PolarHBondContact O-N 3.27Å; I728-K1032 PolarHBondContact O-NZ 3.14Å; I728-N1157 HydrophobicContact CD1-CB 4.42Å; I728-N1157 WeakPolarHBondContact CD1-OD1 3.45Å; I728-N1157 HydrophobicContact CG1-CB 4.25Å; I728-N1157 VanDerWaalsContact CG1-CG 3.43Å; I728-N1157 WeakPolarHBondContact CG1-ND2 3.38Å; I728-N1157 WeakPolarHBondContact CG1-OD1 3.15Å; I728-N1157 HydrophobicContact CG2-CB 4.38Å |
| 729 | H | 42.8 | Very low | 39.4 | Very low | 67 Ų | 67 | 81.1 Ų | 81.1 | 31% | 0.31 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 59.3 | 170.5 | -54.9 | -76.6 | 0 | 0 | 0 | 109.5 | K727 L731 S732 W1103 | K727-H729 PolarHBondContact O-N 3.14Å; K727-H729 VanDerWaalsContact O-N 3.08Å; H729-L731 PolarHBondContact O-N 3.26Å; H729-S732 PolarHBondContact O-N 3.29Å; H729-W1103 AromaticContact NE2-CD1 3.79Å; H729-W1103 AromaticContact NE2-CD2 3.96Å; H729-W1103 AromaticContact NE2-CG 3.75Å |
| 730 | S | 39.3 | Very low | 39.5 | Very low | 56 Ų | 56 | 82.3 Ų | 82.3 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 92 | 165.7 | 54.8 | 0 | 0 | 0 | 0 | 108 | K727 | K727-S730 PolarHBondContact O-N 2.71Š|
| 731 | L | 40.8 | Very low | 39.5 | Very low | 50 Ų | 50 | 80.8 Ų | 80.8 | 26% | 0.262 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 116.9 | -13.2 | 172.5 | -62 | 152.5 | 0 | 0 | 0 | 116.9 | H729 A845 V991 E994 | H729-L731 PolarHBondContact O-N 3.26Å; L731-A845 HydrophobicContact CD2-CB 3.72Å; L731-V991 HydrophobicContact CD1-CB 3.68Å; L731-V991 HydrophobicContact CD1-CG1 3.76Å; L731-V991 HydrophobicContact CD1-CG2 3.59Å; L731-V991 HydrophobicContact CD2-CG1 4.03Å; L731-V991 HydrophobicContact CD2-CG2 4.23Å; L731-V991 HydrophobicContact CG-CG2 4.37Å; L731-E994 HydrophobicContact CB-CB 4.3Å; L731-E994 HydrophobicContact CB-CG 3.88Å; L731-E994 HydrophobicContact CD1-CB 3.97Å; L731-E994 HydrophobicContact CD1-CG 4.44Å |
| 732 | S | 37.2 | Very low | 39.7 | Very low | 24 Ų | 24 | 79.8 Ų | 79.8 | 17% | 0.168 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 15.9 | -171.2 | 43.4 | 0 | 0 | 0 | 0 | 117 | H729 M734 E994 | H729-S732 PolarHBondContact O-N 3.29Å; S732-M734 PolarHBondContact O-N 3.41Å; S732-E994 VanDerWaalsContact CB-OE1 3.27Å; S732-E994 WeakPolarHBondContact CB-OE1 3.32Å; S732-E994 PolarHBondContact OG-OE1 2.72Å |
| 733 | A | 39.1 | Very low | 40.1 | Very low | 57 Ų | 57 | 74.5 Ų | 74.5 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -67.2 | 117.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | F735 | A733-F735 VanDerWaalsContact C-N 3.34Å; A733-F735 WeakPolarHBondContact O-CD2 3.39Å; A733-F735 PolarHBondContact O-N 3.29Å |
| 734 | M | 37.3 | Very low | 40.9 | Very low | 96 Ų | 96 | 72.6 Ų | 72.6 | 47% | 0.473 | 39% | 0.388 | S | S | . | . | trans | -47.4 | 102.9 | 165.9 | -84.6 | -176.3 | 153.3 | 0 | 0 | 107.9 | S732 S736 | S732-M734 PolarHBondContact O-N 3.41Å; M734-S736 PolarHBondContact O-N 3.49Å | ||
| 735 | F | 40 | Very low | 41.6 | Very low | 130 Ų | 130 | 67.8 Ų | 67.8 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | trans | -72.8 | -2.7 | 178.3 | -75.5 | -78.1 | 0 | 0 | 0 | 111.4 | A733 Q737 V792 | A733-F735 VanDerWaalsContact C-N 3.34Å; A733-F735 WeakPolarHBondContact O-CD2 3.39Å; A733-F735 PolarHBondContact O-N 3.29Å; F735-Q737 PolarHBondContact O-N 2.78Å; F735-V792 HydrophobicContact CB-CG1 3.86Å; F735-V792 HydrophobicContact CD2-CG1 3.7Å; F735-V792 HydrophobicContact CE2-CG1 4.45Å; F735-V792 HydrophobicContact CG-CG1 3.86Å | ||
| 736 | S | 35.9 | Very low | 42.7 | Very low | 80 Ų | 80 | 63.9 Ų | 63.9 | 56% | 0.559 | 35% | 0.345 | S | S | * | . | trans | -72 | 69.4 | 166.1 | 69.2 | 0 | 0 | 0 | 0 | 111 | M734 | M734-S736 PolarHBondContact O-N 3.49Š| ||
| 737 | Q | 38.7 | Very low | 44.1 | Very low | 73 Ų | 73 | 62 Ų | 62 | 34% | 0.341 | 34% | 0.335 | S | S | . | . | trans | -75.8 | 134.2 | 155.8 | -83.2 | -167.6 | -20.8 | 0 | 0 | 109 | R722 F735 H739 | R722-Q737 VanDerWaalsContact CZ-OE1 3.28Å; F735-Q737 PolarHBondContact O-N 2.78Å; Q737-H739 PolarHBondContact O-N 3.11Å; Q737-H739 VanDerWaalsContact O-N 3.11Å | ||
| 738 | S | 38.4 | Very low | 45.2 | Very low | 112 Ų | 112 | 56.5 Ų | 56.5 | 78% | 0.783 | 31% | 0.313 | S | S | * | . | trans | -45.8 | 116 | 169.7 | 37.4 | 0 | 0 | 0 | 0 | 110.2 | E740 | S738-E740 PolarHBondContact O-N 3.15Š| ||
| 739 | H | 39.5 | Very low | 46.7 | Very low | 127 Ų | 127 | 55.4 Ų | 55.4 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | trans | -67.8 | 123.9 | -179.2 | -72.5 | -100.9 | 0 | 0 | 0 | 110.1 | Q737 D744 | Q737-H739 PolarHBondContact O-N 3.11Å; Q737-H739 VanDerWaalsContact O-N 3.11Å; H739-D744 VanDerWaalsContact CB-OD1 3.3Å; H739-D744 WeakPolarHBondContact CB-OD1 3.21Å; H739-D744 WeakPolarHBondContact CB-OD2 2.94Å; H739-D744 IonicContact CE1-OD1 2.96Å; H739-D744 IonicContact CG-OD1 3.12Å; H739-D744 VanDerWaalsContact CG-OD1 3.23Å; H739-D744 IonicContact ND1-OD1 3.7Å; H739-D744 PolarHBondContact ND1-OD1 3.49Å | ||
| 740 | E | 45.9 | Very low | 48.3 | Very low | 62 Ų | 62 | 53.1 Ų | 53.1 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | trans | -82.2 | 140.2 | 159.2 | -75.9 | -175.3 | -155.4 | 0 | 0 | 108.7 | R717 S738 V742 D743 W1078 | R717-E740 VanDerWaalsContact CZ-CG 3.47Å; R717-E740 IonicContact CZ-OE1 3.25Å; R717-E740 IonicContact CZ-OE2 2.66Å; R717-E740 VanDerWaalsContact CZ-OE2 3.29Å; R717-E740 IonicContact NE-OE1 3.47Å; R717-E740 PolarHBondContact NE-OE1 3.03Å; R717-E740 IonicContact NE-OE2 3.02Å; R717-E740 PolarHBondContact NE-OE2 3.43Å; R717-E740 IonicContact NH2-OE1 3.99Å; R717-E740 IonicContact NH2-OE2 3.65Å; R717-E740 PolarHBondContact NH2-OE2 3.21Å; S738-E740 PolarHBondContact O-N 3.15Å; E740-V742 PolarHBondContact O-N 3Å; E740-D743 PolarHBondContact O-N 3.28Å; E740-W1078 PolarHBondContact OE2-NE1 3Å | ||
| 741 | M | 44.7 | Very low | 50 | Low | 39 Ų | 39 | 51.8 Ų | 51.8 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -49.9 | -28.1 | -172.6 | -167.7 | 174.8 | 66.3 | 0 | 0 | 115.8 | A1074 W1078 | M741-A1074 HydrophobicContact CE-CB 3.78Å; M741-A1074 WeakPolarHBondContact CE-O 3.47Å; M741-W1078 HydrophobicContact CE-CB 3.92Å |
| 742 | V | 46.2 | Very low | 51.9 | Low | 18 Ų | 18 | 53.9 Ų | 53.9 | 11% | 0.109 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -77.4 | -37.1 | -179.4 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | E740 D744 L745 L746 W1078 | E740-V742 PolarHBondContact O-N 3Å; V742-D744 VanDerWaalsContact C-N 3.26Å; V742-D744 PolarHBondContact O-N 3.38Å; V742-L745 PolarHBondContact O-N 2.89Å; V742-L746 HydrophobicContact CG1-CD1 4.33Å; V742-L746 VanDerWaalsContact O-CD1 3.22Å; V742-L746 WeakPolarHBondContact O-CD1 3.07Å; V742-W1078 HydrophobicContact CG2-CB 4.11Å; V742-W1078 VanDerWaalsContact CG2-CD1 3.5Å; V742-W1078 HydrophobicContact CG2-CD2 3.82Å; V742-W1078 HydrophobicContact CG2-CG 3.51Å |
| 743 | D | 52.6 | Low | 54.1 | Low | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.064 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.8 | -28.8 | 177.3 | -80.8 | -52.5 | 0 | 0 | 0 | 112.1 | Q714 R717 E740 A747 | Q714-D743 WeakPolarHBondContact CG-OD1 3.41Å; Q714-D743 PolarHBondContact NE2-OD1 2.93Å; R717-D743 IonicContact CZ-OD2 3.7Å; R717-D743 IonicContact NH1-OD2 3.37Å; R717-D743 PolarHBondContact NH1-OD2 2.9Å; R717-D743 IonicContact NH2-OD2 3.2Å; R717-D743 PolarHBondContact NH2-OD2 3.26Å; E740-D743 PolarHBondContact O-N 3.28Å; D743-A747 WeakPolarHBondContact O-CB 3.44Å; D743-A747 PolarHBondContact O-N 3.27Å |
| 744 | D | 54.3 | Low | 56.3 | Low | 24 Ų | 24 | 50 Ų | 50 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 176.1 | -70.6 | -16 | 0 | 0 | 0 | 112.6 | H739 V742 L746 A747 N748 | H739-D744 VanDerWaalsContact CB-OD1 3.3Å; H739-D744 WeakPolarHBondContact CB-OD1 3.21Å; H739-D744 WeakPolarHBondContact CB-OD2 2.94Å; H739-D744 IonicContact CE1-OD1 2.96Å; H739-D744 IonicContact CG-OD1 3.12Å; H739-D744 VanDerWaalsContact CG-OD1 3.23Å; H739-D744 IonicContact ND1-OD1 3.7Å; H739-D744 PolarHBondContact ND1-OD1 3.49Å; V742-D744 VanDerWaalsContact C-N 3.26Å; V742-D744 PolarHBondContact O-N 3.38Å; D744-L746 PolarHBondContact O-N 3.28Å; D744-A747 PolarHBondContact O-N 3.35Å; D744-N748 WeakPolarHBondContact O-CB 3.4Å; D744-N748 PolarHBondContact O-N 3.01Å; D744-N748 PolarHBondContact O-ND2 2.88Å |
| 745 | L | 52.2 | Low | 58.6 | Low | 27 Ų | 27 | 48.2 Ų | 48.2 | 14% | 0.141 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 179.3 | -75.3 | 164.8 | 0 | 0 | 0 | 111.9 | T706 V742 D749 F1062 I1065 | T706-L745 HydrophobicContact CG2-CB 4.28Å; V742-L745 PolarHBondContact O-N 2.89Å; L745-D749 PolarHBondContact O-N 2.94Å; L745-F1062 HydrophobicContact CD2-CB 4.38Å; L745-I1065 HydrophobicContact CD1-CD1 3.81Å; L745-I1065 HydrophobicContact CD2-CD1 3.52Å; L745-I1065 HydrophobicContact CD2-CG1 3.8Å; L745-I1065 HydrophobicContact CG-CD1 4.29Å |
| 746 | L | 58.9 | Low | 60.8 | Low | 17 Ų | 17 | 44.3 Ų | 44.3 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77.4 | -35 | 177.1 | -57.9 | 135.9 | 0 | 0 | 0 | 111.7 | T706 R707 A710 V742 D744 N748 D749 V750 | T706-L746 HydrophobicContact CG2-CD2 4.26Å; T706-L746 HydrophobicContact CG2-CG 4.34Å; R707-L746 HydrophobicContact CB-CD2 4.35Å; R707-L746 HydrophobicContact CG-CD2 3.94Å; A710-L746 HydrophobicContact CB-CD1 3.01Å; A710-L746 HydrophobicContact CB-CD2 3.4Å; A710-L746 VanDerWaalsContact CB-CD2 3.4Å; A710-L746 HydrophobicContact CB-CG 3.7Å; V742-L746 HydrophobicContact CG1-CD1 4.33Å; V742-L746 VanDerWaalsContact O-CD1 3.22Å; V742-L746 WeakPolarHBondContact O-CD1 3.07Å; D744-L746 PolarHBondContact O-N 3.28Å; L746-N748 PolarHBondContact O-N 3.15Å; L746-D749 PolarHBondContact O-N 3.49Å; L746-V750 VanDerWaalsContact O-CB 3.29Å; L746-V750 WeakPolarHBondContact O-CB 3.44Å; L746-V750 VanDerWaalsContact O-CG2 3.25Å; L746-V750 WeakPolarHBondContact O-CG2 3.24Å; L746-V750 PolarHBondContact O-N 3.2Å |
| 747 | A | 63.8 | Low | 63.3 | Low | 14 Ų | 14 | 40.5 Ų | 40.5 | 12% | 0.116 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -42.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | D743 D744 V750 E751 Y794 | D743-A747 WeakPolarHBondContact O-CB 3.44Å; D743-A747 PolarHBondContact O-N 3.27Å; D744-A747 PolarHBondContact O-N 3.35Å; A747-V750 PolarHBondContact O-N 2.8Å; A747-E751 WeakPolarHBondContact O-CA 3.43Å; A747-E751 WeakPolarHBondContact O-CB 3.23Å; A747-E751 WeakPolarHBondContact O-CG 3.43Å; A747-E751 PolarHBondContact O-N 3.16Å; A747-Y794 HydrophobicContact CB-CE1 4.01Å |
| 748 | N | 64.6 | Low | 65.6 | Low | 61 Ų | 61 | 37.3 Ų | 37.3 | 33% | 0.326 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.2 | -70.2 | -37.6 | 0 | 0 | 0 | 113.7 | D744 L746 F752 | D744-N748 WeakPolarHBondContact O-CB 3.4Å; D744-N748 PolarHBondContact O-N 3.01Å; D744-N748 PolarHBondContact O-ND2 2.88Å; L746-N748 PolarHBondContact O-N 3.15Å; N748-F752 WeakPolarHBondContact O-CB 3.21Å; N748-F752 PolarHBondContact O-N 2.65Å |
| 749 | D | 69.2 | Low | 67.8 | Low | 17 Ų | 17 | 33.7 Ų | 33.7 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -49.6 | 174.5 | 172.1 | 33.4 | 0 | 0 | 0 | 111.5 | L703 R707 L745 L746 E751 F752 N753 | L703-D749 HydrophobicContact CD2-CB 3.9Å; L703-D749 WeakPolarHBondContact CD2-OD2 3.24Å; R707-D749 IonicContact CZ-OD2 2.68Å; R707-D749 VanDerWaalsContact CZ-OD2 3.26Å; R707-D749 IonicContact NE-OD2 2.93Å; R707-D749 PolarHBondContact NE-OD2 3.22Å; R707-D749 IonicContact NH2-OD1 2.66Å; R707-D749 PolarHBondContact NH2-OD1 3.01Å; R707-D749 IonicContact NH2-OD2 2.82Å; R707-D749 PolarHBondContact NH2-OD2 3.38Å; L745-D749 PolarHBondContact O-N 2.94Å; L746-D749 PolarHBondContact O-N 3.49Å; D749-E751 VanDerWaalsContact C-N 3.31Å; D749-E751 PolarHBondContact O-N 3.46Å; D749-F752 PolarHBondContact O-N 3.36Å; D749-F752 VanDerWaalsContact O-N 3.16Å; D749-N753 PolarHBondContact O-N 3.26Å; D749-N753 PolarHBondContact O-ND2 3.38Å; D749-N753 PolarHBondContact OD1-ND2 3.17Å |
| 750 | V | 75.3 | Confident | 69.9 | Low | 20 Ų | 20 | 29.1 Ų | 29.1 | 12% | 0.121 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 176 | 172.7 | 0 | 0 | 0 | 0 | 111 | V691 L746 A747 N753 L754 F789 Y794 | V691-V750 HydrophobicContact CG1-CG1 4.09Å; L746-V750 VanDerWaalsContact O-CB 3.29Å; L746-V750 WeakPolarHBondContact O-CB 3.44Å; L746-V750 VanDerWaalsContact O-CG2 3.25Å; L746-V750 WeakPolarHBondContact O-CG2 3.24Å; L746-V750 PolarHBondContact O-N 3.2Å; A747-V750 PolarHBondContact O-N 2.8Å; V750-N753 PolarHBondContact O-N 2.63Å; V750-L754 WeakPolarHBondContact O-CB 3.46Å; V750-L754 PolarHBondContact O-N 3.49Å; V750-F789 HydrophobicContact CG1-CD1 3.8Å; V750-F789 HydrophobicContact CG1-CE1 3.68Å; V750-F789 HydrophobicContact CG1-CZ 4.49Å; V750-Y794 HydrophobicContact CG1-CE1 4.39Å |
| 751 | E | 76.2 | Confident | 71.8 | Confident | 27 Ų | 27 | 26.2 Ų | 26.2 | 13% | 0.126 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 173.9 | -81.6 | -166.9 | 162.6 | 0 | 0 | 111.2 | A747 D749 L754 S755 Y794 R796 P797 | A747-E751 WeakPolarHBondContact O-CA 3.43Å; A747-E751 WeakPolarHBondContact O-CB 3.23Å; A747-E751 WeakPolarHBondContact O-CG 3.43Å; A747-E751 PolarHBondContact O-N 3.16Å; D749-E751 VanDerWaalsContact C-N 3.31Å; D749-E751 PolarHBondContact O-N 3.46Å; E751-L754 PolarHBondContact O-N 3.39Å; E751-S755 WeakPolarHBondContact O-CB 3.43Å; E751-S755 PolarHBondContact O-N 2.71Å; E751-Y794 HydrophobicContact CG-CD1 3.69Å; E751-R796 WeakPolarHBondContact OE2-CD 3.06Å; E751-R796 IonicContact OE2-NH1 2.74Å; E751-P797 HydrophobicContact CB-CG 3.78Å; E751-P797 HydrophobicContact CG-CG 3.75Å; E751-P797 WeakPolarHBondContact O-CG 3.41Å |
| 752 | F | 79.7 | Confident | 73.6 | Confident | 95 Ų | 95 | 25.1 Ų | 25.1 | 42% | 0.417 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 178.6 | -170.4 | -86.9 | 0 | 0 | 0 | 111.6 | F696 V697 N748 D749 S755 T756 | F696-F752 HydrophobicContact CB-CD1 3.96Å; F696-F752 HydrophobicContact CB-CE1 3.55Å; F696-F752 HydrophobicContact CG-CE1 4.49Å; V697-F752 HydrophobicContact CB-CD1 4.37Å; V697-F752 HydrophobicContact CB-CE1 4.12Å; V697-F752 HydrophobicContact CB-CZ 4.34Å; V697-F752 HydrophobicContact CG2-CD1 4.11Å; V697-F752 HydrophobicContact CG2-CE1 3.39Å; V697-F752 HydrophobicContact CG2-CE2 4.06Å; V697-F752 HydrophobicContact CG2-CZ 3.35Å; N748-F752 WeakPolarHBondContact O-CB 3.21Å; N748-F752 PolarHBondContact O-N 2.65Å; D749-F752 PolarHBondContact O-N 3.36Å; D749-F752 VanDerWaalsContact O-N 3.16Å; F752-S755 PolarHBondContact O-N 3.19Å; F752-T756 PolarHBondContact O-N 2.77Å; F752-T756 PolarHBondContact O-OG1 3.04Å |
| 753 | N | 84.2 | Confident | 75.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 178.2 | -60.6 | -22.6 | 0 | 0 | 0 | 110.9 | V691 G694 F696 R707 D749 V750 T756 I757 | V691-N753 HydrophobicContact CG1-CB 4.49Å; G694-N753 PolarHBondContact O-ND2 3.38Å; F696-N753 HydrophobicContact CD2-CB 4.35Å; F696-N753 WeakPolarHBondContact CD2-OD1 3.41Å; F696-N753 HydrophobicContact CE2-CB 4.5Å; R707-N753 PolarHBondContact NH2-ND2 3.17Å; D749-N753 PolarHBondContact O-N 3.26Å; D749-N753 PolarHBondContact O-ND2 3.38Å; D749-N753 PolarHBondContact OD1-ND2 3.17Å; V750-N753 PolarHBondContact O-N 2.63Å; N753-T756 PolarHBondContact O-N 3.39Å; N753-I757 WeakPolarHBondContact O-CG1 3.45Å; N753-I757 PolarHBondContact O-N 2.73Å |
| 754 | L | 85.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 177.2 | -173.3 | 64.7 | 0 | 0 | 0 | 111 | V691 V750 E751 T756 I757 V758 L785 F789 P797 | V691-L754 HydrophobicContact CG1-CB 4.05Å; V691-L754 HydrophobicContact CG1-CD1 4.22Å; V691-L754 HydrophobicContact CG2-CD1 4.13Å; V750-L754 WeakPolarHBondContact O-CB 3.46Å; V750-L754 PolarHBondContact O-N 3.49Å; E751-L754 PolarHBondContact O-N 3.39Å; L754-T756 PolarHBondContact O-N 3.18Å; L754-I757 PolarHBondContact O-N 3.42Å; L754-V758 HydrophobicContact CD1-CG2 3.75Å; L754-V758 HydrophobicContact CG-CG2 3.96Å; L754-V758 WeakPolarHBondContact O-CB 3.4Å; L754-V758 WeakPolarHBondContact O-CG2 3.43Å; L754-V758 PolarHBondContact O-N 2.87Å; L754-L785 HydrophobicContact CD1-CD1 4.49Å; L754-L785 HydrophobicContact CD1-CD2 3.97Å; L754-F789 HydrophobicContact CD1-CD2 4.21Å; L754-F789 HydrophobicContact CD2-CB 3.77Å; L754-F789 HydrophobicContact CD2-CG 4.29Å; L754-P797 HydrophobicContact CB-CB 3.96Å; L754-P797 HydrophobicContact CB-CG 4.12Å; L754-P797 HydrophobicContact CD2-CB 3.65Å; L754-P797 HydrophobicContact CD2-CG 3.93Å; L754-P797 HydrophobicContact CG-CB 3.68Å; L754-P797 HydrophobicContact CG-CG 4.23Å |
| 755 | S | 85.2 | Confident | 77.7 | Confident | 57 Ų | 57 | 31.4 Ų | 31.4 | 40% | 0.399 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 177 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | E751 F752 G759 | E751-S755 WeakPolarHBondContact O-CB 3.43Å; E751-S755 PolarHBondContact O-N 2.71Å; F752-S755 PolarHBondContact O-N 3.19Å; S755-G759 WeakPolarHBondContact O-CA 3.22Å; S755-G759 PolarHBondContact O-N 3Å |
| 756 | T | 85.3 | Confident | 78.8 | Confident | 49 Ų | 49 | 37.4 Ų | 37.4 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65 | -45 | 178.2 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | F696 F752 N753 L754 A760 | F696-T756 HydrophobicContact CD1-CG2 4.1Å; F696-T756 HydrophobicContact CE1-CG2 3.89Å; F696-T756 HydrophobicContact CE2-CG2 4.34Å; F696-T756 HydrophobicContact CG-CG2 4.42Å; F696-T756 HydrophobicContact CZ-CG2 4Å; F752-T756 PolarHBondContact O-N 2.77Å; F752-T756 PolarHBondContact O-OG1 3.04Å; N753-T756 PolarHBondContact O-N 3.39Å; L754-T756 PolarHBondContact O-N 3.18Å; T756-A760 PolarHBondContact O-N 3.26Å; T756-A760 VanDerWaalsContact O-N 3.1Å |
| 757 | I | 87.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.9 | -47.6 | -179.4 | -70.4 | 166 | 0 | 0 | 0 | 111.4 | V687 M690 V691 F696 N753 L754 G759 A760 I761 | V687-I757 HydrophobicContact CG1-CG2 3.75Å; M690-I757 HydrophobicContact CE-CD1 3.67Å; M690-I757 HydrophobicContact CE-CG1 4.05Å; V691-I757 HydrophobicContact CB-CD1 4.4Å; V691-I757 HydrophobicContact CG2-CD1 3.51Å; V691-I757 HydrophobicContact CG2-CG2 4.5Å; F696-I757 HydrophobicContact CE2-CD1 4.49Å; F696-I757 HydrophobicContact CE2-CG1 4.49Å; N753-I757 WeakPolarHBondContact O-CG1 3.45Å; N753-I757 PolarHBondContact O-N 2.73Å; L754-I757 PolarHBondContact O-N 3.42Å; I757-G759 VanDerWaalsContact C-N 3.28Å; I757-G759 PolarHBondContact O-N 3.46Å; I757-A760 PolarHBondContact O-N 3.14Å; I757-I761 HydrophobicContact CG2-CD1 3.71Å; I757-I761 HydrophobicContact CG2-CG1 4.37Å; I757-I761 VanDerWaalsContact O-CG1 3.25Å; I757-I761 WeakPolarHBondContact O-CG1 3.49Å; I757-I761 PolarHBondContact O-N 3.03Å |
| 758 | V | 87 | Confident | 79.4 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | L754 A760 I761 V762 L785 W798 | L754-V758 HydrophobicContact CD1-CG2 3.75Å; L754-V758 HydrophobicContact CG-CG2 3.96Å; L754-V758 WeakPolarHBondContact O-CB 3.4Å; L754-V758 WeakPolarHBondContact O-CG2 3.43Å; L754-V758 PolarHBondContact O-N 2.87Å; V758-A760 PolarHBondContact O-N 3.3Å; V758-I761 PolarHBondContact O-N 2.97Å; V758-V762 HydrophobicContact CG1-CG2 4.04Å; V758-V762 WeakPolarHBondContact O-CB 3.33Å; V758-V762 VanDerWaalsContact O-CG2 3.24Å; V758-V762 WeakPolarHBondContact O-CG2 3.49Å; V758-V762 PolarHBondContact O-N 3.39Å; V758-L785 HydrophobicContact CG2-CD1 4.49Å; V758-W798 HydrophobicContact CG1-CE3 4.42Å; V758-W798 HydrophobicContact CG2-CH2 4.37Å; V758-W798 HydrophobicContact CG2-CZ3 4.33Å |
| 759 | G | 84.9 | Confident | 79.2 | Confident | 36 Ų | 36 | 43 Ų | 43 | 37% | 0.371 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.1 | -50.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | S755 I757 I761 V762 E763 | S755-G759 WeakPolarHBondContact O-CA 3.22Å; S755-G759 PolarHBondContact O-N 3Å; I757-G759 VanDerWaalsContact C-N 3.28Å; I757-G759 PolarHBondContact O-N 3.46Å; G759-I761 PolarHBondContact O-N 3.39Å; G759-V762 PolarHBondContact O-N 3.02Å; G759-E763 PolarHBondContact O-N 3.06Å |
| 760 | A | 84.5 | Confident | 78.6 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 26% | 0.256 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L668 T756 I757 V758 E763 L764 | L668-A760 HydrophobicContact CD1-CB 4.12Å; T756-A760 PolarHBondContact O-N 3.26Å; T756-A760 VanDerWaalsContact O-N 3.1Å; I757-A760 PolarHBondContact O-N 3.14Å; V758-A760 PolarHBondContact O-N 3.3Å; A760-E763 PolarHBondContact O-N 3.11Å; A760-L764 WeakPolarHBondContact O-CG 3.45Å; A760-L764 PolarHBondContact O-N 2.86Å |
| 761 | I | 85.5 | Confident | 77.7 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 178.7 | -67.8 | 174.2 | 0 | 0 | 0 | 111.2 | L668 V687 I757 V758 G759 L764 L765 I778 T781 L782 L785 | L668-I761 HydrophobicContact CD2-CD1 4.11Å; L668-I761 HydrophobicContact CD2-CG1 3.82Å; V687-I761 HydrophobicContact CG1-CD1 4.4Å; I757-I761 HydrophobicContact CG2-CD1 3.71Å; I757-I761 HydrophobicContact CG2-CG1 4.37Å; I757-I761 VanDerWaalsContact O-CG1 3.25Å; I757-I761 WeakPolarHBondContact O-CG1 3.49Å; I757-I761 PolarHBondContact O-N 3.03Å; V758-I761 PolarHBondContact O-N 2.97Å; G759-I761 PolarHBondContact O-N 3.39Å; I761-L764 WeakPolarHBondContact O-CB 3.36Å; I761-L764 PolarHBondContact O-N 3.31Å; I761-L765 PolarHBondContact O-N 3.42Å; I761-I778 HydrophobicContact CG2-CG2 3.54Å; I761-T781 HydrophobicContact CD1-CG2 4.39Å; I761-L782 HydrophobicContact CB-CD2 4.46Å; I761-L782 HydrophobicContact CG2-CD1 4.12Å; I761-L782 HydrophobicContact CG2-CD2 3.75Å; I761-L782 HydrophobicContact CG2-CG 3.84Å; I761-L785 HydrophobicContact CD1-CD1 4.03Å |
| 762 | V | 81.8 | Confident | 76.7 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69 | -36.5 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | V758 G759 L765 K766 | V758-V762 HydrophobicContact CG1-CG2 4.04Å; V758-V762 WeakPolarHBondContact O-CB 3.33Å; V758-V762 VanDerWaalsContact O-CG2 3.24Å; V758-V762 WeakPolarHBondContact O-CG2 3.49Å; V758-V762 PolarHBondContact O-N 3.39Å; G759-V762 PolarHBondContact O-N 3.02Å; V762-L765 PolarHBondContact O-N 2.96Å; V762-K766 HydrophobicContact CG1-CD 4.44Å; V762-K766 WeakPolarHBondContact O-CG 3.38Å; V762-K766 PolarHBondContact O-N 2.89Å |
| 763 | E | 81.8 | Confident | 75.6 | Confident | 136 Ų | 136 | 54.7 Ų | 54.7 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 171.1 | -78 | -166 | 164.3 | 0 | 0 | 112 | G759 A760 L765 K766 C767 | G759-E763 PolarHBondContact O-N 3.06Å; A760-E763 PolarHBondContact O-N 3.11Å; E763-L765 VanDerWaalsContact C-N 3.35Å; E763-L765 PolarHBondContact O-N 3.06Å; E763-K766 PolarHBondContact O-N 3.34Å; E763-C767 WeakPolarHBondContact O-CB 3.02Å; E763-C767 PolarHBondContact O-N 2.97Å; E763-C767 PolarHBondContact O-SG 3.25Å |
| 764 | L | 80.8 | Confident | 74.6 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.199 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 174.1 | -74.6 | 168.7 | 0 | 0 | 0 | 111.8 | L668 A760 I761 K766 C767 S768 I778 | L668-L764 HydrophobicContact CB-CD1 3.96Å; A760-L764 WeakPolarHBondContact O-CG 3.45Å; A760-L764 PolarHBondContact O-N 2.86Å; I761-L764 WeakPolarHBondContact O-CB 3.36Å; I761-L764 PolarHBondContact O-N 3.31Å; L764-K766 VanDerWaalsContact C-N 3.33Å; L764-K766 PolarHBondContact O-N 3.46Å; L764-C767 PolarHBondContact O-N 2.94Å; L764-S768 WeakPolarHBondContact O-CB 3.45Å; L764-S768 PolarHBondContact O-N 3.13Å; L764-I778 HydrophobicContact CB-CD1 4.21Å |
| 765 | L | 78.3 | Confident | 73.8 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 176.4 | -171.9 | 72.7 | 0 | 0 | 0 | 111.2 | I761 V762 E763 C767 S768 P775 I778 I779 L816 I819 | I761-L765 PolarHBondContact O-N 3.42Å; V762-L765 PolarHBondContact O-N 2.96Å; E763-L765 VanDerWaalsContact C-N 3.35Å; E763-L765 PolarHBondContact O-N 3.06Å; L765-C767 PolarHBondContact O-N 3.33Å; L765-S768 PolarHBondContact O-OG 2.91Å; L765-P775 HydrophobicContact CD1-CB 4.45Å; L765-I778 HydrophobicContact CB-CG2 4.27Å; L765-I778 HydrophobicContact CD1-CG2 4.01Å; L765-I779 HydrophobicContact CD1-CG1 4.46Å; L765-L816 HydrophobicContact CD2-CD2 4.33Å; L765-I819 HydrophobicContact CD1-CD1 4.42Å |
| 766 | K | 75.4 | Confident | 73.4 | Confident | 153 Ų | 153 | 54.4 Ų | 54.4 | 67% | 0.665 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.2 | -32.7 | 179.2 | -72.7 | 174.9 | -178.3 | 176.5 | 0 | 113.6 | V762 E763 L764 | V762-K766 HydrophobicContact CG1-CD 4.44Å; V762-K766 WeakPolarHBondContact O-CG 3.38Å; V762-K766 PolarHBondContact O-N 2.89Å; E763-K766 PolarHBondContact O-N 3.34Å; L764-K766 VanDerWaalsContact C-N 3.33Å; L764-K766 PolarHBondContact O-N 3.46Å |
| 767 | C | 71 | Confident | 73 | Confident | 110 Ų | 110 | 52.1 Ų | 52.1 | 74% | 0.743 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -90.4 | -11.4 | -176.4 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | E763 L764 L765 | E763-C767 WeakPolarHBondContact O-CB 3.02Å; E763-C767 PolarHBondContact O-N 2.97Å; E763-C767 PolarHBondContact O-SG 3.25Å; L764-C767 PolarHBondContact O-N 2.94Å; L765-C767 PolarHBondContact O-N 3.33Å |
| 768 | S | 63 | Low | 72.8 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | trans | -76.3 | 136 | -170.5 | 63.9 | 0 | 0 | 0 | 0 | 114.1 | L764 L765 L770 | L764-S768 WeakPolarHBondContact O-CB 3.45Å; L764-S768 PolarHBondContact O-N 3.13Å; L765-S768 PolarHBondContact O-OG 2.91Å; S768-L770 PolarHBondContact O-N 3.4Å | ||
| 769 | P | 61.2 | Low | 72.7 | Confident | 79 Ų | 79 | 52 Ų | 52 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | trans | -72.2 | 125.9 | 171.1 | 28.5 | -31.4 | 0 | 0 | 0 | 110.5 | K771 | P769-K771 PolarHBondContact O-N 3.4Š| ||
| 770 | L | 57 | Low | 72.7 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 41% | 0.408 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 3.7 | -174.8 | -76.5 | 159.7 | 0 | 0 | 0 | 116 | S768 | S768-L770 PolarHBondContact O-N 3.4Š|
| 771 | K | 55.7 | Low | 72.9 | Confident | 179 Ų | 179 | 50.8 Ų | 50.8 | 78% | 0.778 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -23.4 | -169.7 | -76.6 | -174 | 175 | -177.7 | 0 | 115.5 | P769 | P769-K771 PolarHBondContact O-N 3.4Š|
| 772 | D | 55.1 | Low | 73 | Confident | 117 Ų | 117 | 51 Ų | 51 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -120.2 | 36 | -161 | -55.2 | -30.3 | 0 | 0 | 0 | 114.8 | F774 | D772-F774 PolarHBondContact O-N 3.09Š|
| 773 | G | 56.3 | Low | 73.3 | Confident | 32 Ų | 32 | 51 Ų | 51 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 69.1 | -8.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | P775 I776 | G773-P775 VanDerWaalsContact C-N 3.33Å; G773-P775 WeakPolarHBondContact O-CD 3.38Å; G773-P775 VanDerWaalsContact O-N 3.1Å; G773-I776 PolarHBondContact O-N 2.9Å; G773-I776 VanDerWaalsContact O-N 3.09Å |
| 774 | F | 63.1 | Low | 73.6 | Confident | 43 Ų | 43 | 45.5 Ų | 45.5 | 19% | 0.189 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -41.8 | -39.6 | 177.8 | -151.7 | -83.2 | 0 | 0 | 0 | 116.2 | V673 D772 I776 I778 | V673-F774 HydrophobicContact CB-CD2 4.2Å; V673-F774 HydrophobicContact CB-CE2 4.07Å; V673-F774 HydrophobicContact CG1-CD2 3.22Å; V673-F774 HydrophobicContact CG1-CE2 3.36Å; V673-F774 HydrophobicContact CG1-CG 4.1Å; V673-F774 HydrophobicContact CG1-CZ 4.32Å; V673-F774 HydrophobicContact CG2-CD1 4.45Å; V673-F774 HydrophobicContact CG2-CD2 3.88Å; V673-F774 HydrophobicContact CG2-CE1 4.08Å; V673-F774 HydrophobicContact CG2-CE2 3.44Å; V673-F774 VanDerWaalsContact CG2-CE2 3.44Å; V673-F774 HydrophobicContact CG2-CG 4.36Å; V673-F774 HydrophobicContact CG2-CZ 3.55Å; D772-F774 PolarHBondContact O-N 3.09Å; F774-I776 VanDerWaalsContact C-N 3.34Å; F774-I776 PolarHBondContact O-N 3.33Å; F774-I778 HydrophobicContact CD1-CD1 3.67Å; F774-I778 HydrophobicContact CE1-CD1 3.66Å |
| 775 | P | 70.3 | Confident | 73.9 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.9 | -23.5 | -177.3 | -16.4 | 30.2 | 0 | 0 | 0 | 114.3 | L765 G773 I778 I779 L825 | L765-P775 HydrophobicContact CD1-CB 4.45Å; G773-P775 VanDerWaalsContact C-N 3.33Å; G773-P775 WeakPolarHBondContact O-CD 3.38Å; G773-P775 VanDerWaalsContact O-N 3.1Å; P775-I778 PolarHBondContact O-N 3.3Å; P775-I779 HydrophobicContact CB-CD1 4.15Å; P775-I779 WeakPolarHBondContact O-CB 3.05Å; P775-I779 VanDerWaalsContact O-CG1 3.25Å; P775-I779 WeakPolarHBondContact O-CG1 3.2Å; P775-I779 PolarHBondContact O-N 3.07Å; P775-L825 HydrophobicContact CG-CD2 4.44Å |
| 776 | I | 76.3 | Confident | 74.2 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -49.8 | -168.1 | -60.7 | 172.6 | 0 | 0 | 0 | 110.9 | G773 F774 I778 I779 Y780 L825 | G773-I776 PolarHBondContact O-N 2.9Å; G773-I776 VanDerWaalsContact O-N 3.09Å; F774-I776 VanDerWaalsContact C-N 3.34Å; F774-I776 PolarHBondContact O-N 3.33Å; I776-I778 VanDerWaalsContact C-N 3.29Å; I776-I778 PolarHBondContact O-N 3.06Å; I776-I779 PolarHBondContact O-N 3.49Å; I776-Y780 VanDerWaalsContact O-CB 3.23Å; I776-Y780 WeakPolarHBondContact O-CB 3.47Å; I776-Y780 PolarHBondContact O-N 3.46Å; I776-L825 HydrophobicContact CD1-CD2 3.66Å; I776-L825 HydrophobicContact CG1-CD2 3.47Å; I776-L825 VanDerWaalsContact CG1-CD2 3.47Å |
| 777 | G | 77 | Confident | 74.5 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -32.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | T781 | G777-T781 WeakPolarHBondContact O-CB 3.39Å; G777-T781 PolarHBondContact O-N 2.77Å; G777-T781 PolarHBondContact O-OG1 3.05Å |
| 778 | I | 83.5 | Confident | 75 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.1 | -52.9 | 176.2 | -66.5 | 179.8 | 0 | 0 | 0 | 110.2 | I761 L764 L765 F774 P775 I776 Y780 T781 L782 | I761-I778 HydrophobicContact CG2-CG2 3.54Å; L764-I778 HydrophobicContact CB-CD1 4.21Å; L765-I778 HydrophobicContact CB-CG2 4.27Å; L765-I778 HydrophobicContact CD1-CG2 4.01Å; F774-I778 HydrophobicContact CD1-CD1 3.67Å; F774-I778 HydrophobicContact CE1-CD1 3.66Å; P775-I778 PolarHBondContact O-N 3.3Å; I776-I778 VanDerWaalsContact C-N 3.29Å; I776-I778 PolarHBondContact O-N 3.06Å; I778-Y780 VanDerWaalsContact C-N 3.3Å; I778-Y780 PolarHBondContact O-N 3.18Å; I778-T781 PolarHBondContact O-N 2.71Å; I778-L782 HydrophobicContact CG2-CD1 4.31Å; I778-L782 WeakPolarHBondContact O-CG 3.31Å; I778-L782 PolarHBondContact O-N 2.91Å |
| 779 | I | 83.6 | Confident | 75.9 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 180 | -64.6 | 166.3 | 0 | 0 | 0 | 110.7 | L765 P775 I776 L782 N783 L816 I835 | L765-I779 HydrophobicContact CD1-CG1 4.46Å; P775-I779 HydrophobicContact CB-CD1 4.15Å; P775-I779 WeakPolarHBondContact O-CB 3.05Å; P775-I779 VanDerWaalsContact O-CG1 3.25Å; P775-I779 WeakPolarHBondContact O-CG1 3.2Å; P775-I779 PolarHBondContact O-N 3.07Å; I776-I779 PolarHBondContact O-N 3.49Å; I779-L782 PolarHBondContact O-N 3.05Å; I779-N783 PolarHBondContact O-N 3.48Å; I779-L816 HydrophobicContact CD1-CD2 4.07Å; I779-L816 HydrophobicContact CG1-CD2 4.14Å; I779-I835 HydrophobicContact CG2-CG2 4.03Å |
| 780 | Y | 86.2 | Confident | 76.7 | Confident | 42 Ų | 42 | 37.5 Ų | 37.5 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -48.4 | 173.1 | -175.5 | -106.1 | 0 | 0 | 0 | 112.2 | H681 I776 I778 L782 N783 M784 F831 I835 | H681-Y780 HydrophobicContact CB-CE1 4.11Å; H681-Y780 PolarHBondContact CE1-OH 3.41Å; H681-Y780 AromaticContact ND1-CE1 3.58Å; H681-Y780 AromaticContact ND1-CZ 3.59Å; H681-Y780 PolarHBondContact ND1-OH 2.73Å; I776-Y780 VanDerWaalsContact O-CB 3.23Å; I776-Y780 WeakPolarHBondContact O-CB 3.47Å; I776-Y780 PolarHBondContact O-N 3.46Å; I778-Y780 VanDerWaalsContact C-N 3.3Å; I778-Y780 PolarHBondContact O-N 3.18Å; Y780-L782 VanDerWaalsContact C-N 3.35Å; Y780-L782 PolarHBondContact O-N 3.28Å; Y780-N783 PolarHBondContact O-N 3.02Å; Y780-M784 HydrophobicContact CD1-CG 4.39Å; Y780-M784 HydrophobicContact CD1-SD 3.93Å; Y780-M784 HydrophobicContact CE1-CG 4Å; Y780-M784 HydrophobicContact CE1-SD 3.26Å; Y780-M784 WeakPolarHBondContact CE1-SD 3.48Å; Y780-M784 PolarHBondContact O-N 3.28Å; Y780-F831 HydrophobicContact CD2-CE1 4.28Å; Y780-F831 AromaticContact CD2-CZ 3.97Å; Y780-F831 HydrophobicContact CD2-CZ 3.97Å; Y780-F831 AromaticContact CE2-CZ 3.84Å; Y780-F831 HydrophobicContact CE2-CZ 3.84Å; Y780-I835 HydrophobicContact CD2-CD1 3.56Å; Y780-I835 HydrophobicContact CD2-CG1 4.24Å; Y780-I835 HydrophobicContact CE2-CD1 4.3Å; Y780-I835 HydrophobicContact CG-CD1 4.48Å |
| 781 | T | 87.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | L672 V687 I761 G777 I778 N783 M784 L785 | L672-T781 HydrophobicContact CD1-CG2 4.32Å; L672-T781 WeakPolarHBondContact CD2-OG1 3.45Å; V687-T781 HydrophobicContact CB-CG2 4.1Å; V687-T781 HydrophobicContact CG1-CG2 4.01Å; I761-T781 HydrophobicContact CD1-CG2 4.39Å; G777-T781 WeakPolarHBondContact O-CB 3.39Å; G777-T781 PolarHBondContact O-N 2.77Å; G777-T781 PolarHBondContact O-OG1 3.05Å; I778-T781 PolarHBondContact O-N 2.71Å; T781-N783 VanDerWaalsContact C-N 3.34Å; T781-N783 PolarHBondContact O-N 2.75Å; T781-M784 PolarHBondContact O-N 2.94Å; T781-L785 HydrophobicContact CG2-CD1 4.18Å; T781-L785 HydrophobicContact CG2-CG 4.44Å; T781-L785 WeakPolarHBondContact O-CB 3.28Å; T781-L785 VanDerWaalsContact O-CG 3.29Å; T781-L785 WeakPolarHBondContact O-CG 3.47Å; T781-L785 PolarHBondContact O-N 2.71Å |
| 782 | L | 88.6 | Confident | 78.3 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 173.8 | -71.8 | 172 | 0 | 0 | 0 | 111.8 | I761 I778 I779 Y780 L785 A786 W798 F839 | I761-L782 HydrophobicContact CB-CD2 4.46Å; I761-L782 HydrophobicContact CG2-CD1 4.12Å; I761-L782 HydrophobicContact CG2-CD2 3.75Å; I761-L782 HydrophobicContact CG2-CG 3.84Å; I778-L782 HydrophobicContact CG2-CD1 4.31Å; I778-L782 WeakPolarHBondContact O-CG 3.31Å; I778-L782 PolarHBondContact O-N 2.91Å; I779-L782 PolarHBondContact O-N 3.05Å; Y780-L782 VanDerWaalsContact C-N 3.35Å; Y780-L782 PolarHBondContact O-N 3.28Å; L782-L785 PolarHBondContact O-N 3.39Å; L782-A786 WeakPolarHBondContact O-CB 3.03Å; L782-A786 PolarHBondContact O-N 2.9Å; L782-W798 HydrophobicContact CD2-CH2 4.37Å; L782-W798 HydrophobicContact CD2-CZ3 3.97Å; L782-W798 WeakPolarHBondContact O-CH2 3.27Å; L782-F839 HydrophobicContact CB-CD2 4.41Å; L782-F839 HydrophobicContact CB-CE1 4.42Å; L782-F839 HydrophobicContact CB-CE2 4.03Å; L782-F839 HydrophobicContact CB-CZ 4.04Å |
| 783 | N | 88.2 | Confident | 79 | Confident | 15 Ų | 15 | 27.4 Ų | 27.4 | 8% | 0.08 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.1 | -42.1 | 175.7 | -172.5 | 50.2 | 0 | 0 | 0 | 112.2 | I779 Y780 T781 L785 A786 E787 I835 F839 R842 | I779-N783 PolarHBondContact O-N 3.48Å; Y780-N783 PolarHBondContact O-N 3.02Å; T781-N783 VanDerWaalsContact C-N 3.34Å; T781-N783 PolarHBondContact O-N 2.75Å; N783-L785 VanDerWaalsContact C-N 3.34Å; N783-L785 PolarHBondContact O-N 3.33Å; N783-A786 PolarHBondContact O-N 3.15Å; N783-E787 PolarHBondContact O-N 3.38Å; N783-I835 HydrophobicContact CB-CG2 3.55Å; N783-F839 HydrophobicContact CB-CB 4.1Å; N783-R842 PolarHBondContact O-NH1 2.92Å; N783-R842 PolarHBondContact OD1-NH1 3.36Å |
| 784 | M | 86.7 | Confident | 79.9 | Confident | 21 Ų | 21 | 26.8 Ų | 26.8 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 174.1 | -72.8 | -171.8 | 71.6 | 0 | 0 | 112.2 | L685 V688 Y780 T781 E787 N788 | L685-M784 HydrophobicContact CB-CE 4.23Å; L685-M784 HydrophobicContact CD1-CE 4.04Å; V688-M784 HydrophobicContact CG2-CB 4.17Å; Y780-M784 HydrophobicContact CD1-CG 4.39Å; Y780-M784 HydrophobicContact CD1-SD 3.93Å; Y780-M784 HydrophobicContact CE1-CG 4Å; Y780-M784 HydrophobicContact CE1-SD 3.26Å; Y780-M784 WeakPolarHBondContact CE1-SD 3.48Å; Y780-M784 PolarHBondContact O-N 3.28Å; T781-M784 PolarHBondContact O-N 2.94Å; M784-E787 PolarHBondContact O-N 3.3Å; M784-N788 PolarHBondContact O-N 3.03Å; M784-N788 VanDerWaalsContact O-N 3.1Å; M784-N788 PolarHBondContact O-ND2 3.42Å |
| 785 | L | 88.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 174.3 | -76.4 | 170.5 | 0 | 0 | 0 | 111 | V687 V688 V691 L754 V758 I761 T781 L782 N783 E787 N788 F789 W798 | V687-L785 HydrophobicContact CG1-CD1 4.41Å; V688-L785 HydrophobicContact CB-CD2 4.48Å; V688-L785 HydrophobicContact CG2-CD2 3.86Å; V688-L785 HydrophobicContact CG2-CG 4.22Å; V691-L785 HydrophobicContact CG2-CD2 3.82Å; L754-L785 HydrophobicContact CD1-CD1 4.49Å; L754-L785 HydrophobicContact CD1-CD2 3.97Å; V758-L785 HydrophobicContact CG2-CD1 4.49Å; I761-L785 HydrophobicContact CD1-CD1 4.03Å; T781-L785 HydrophobicContact CG2-CD1 4.18Å; T781-L785 HydrophobicContact CG2-CG 4.44Å; T781-L785 WeakPolarHBondContact O-CB 3.28Å; T781-L785 VanDerWaalsContact O-CG 3.29Å; T781-L785 WeakPolarHBondContact O-CG 3.47Å; T781-L785 PolarHBondContact O-N 2.71Å; L782-L785 PolarHBondContact O-N 3.39Å; N783-L785 VanDerWaalsContact C-N 3.34Å; N783-L785 PolarHBondContact O-N 3.33Å; L785-E787 VanDerWaalsContact C-N 3.29Å; L785-E787 PolarHBondContact O-N 3.12Å; L785-N788 PolarHBondContact O-N 3.41Å; L785-F789 HydrophobicContact CD2-CD2 4.02Å; L785-F789 HydrophobicContact CD2-CE2 4.05Å; L785-F789 WeakPolarHBondContact O-CA 3.08Å; L785-F789 WeakPolarHBondContact O-CB 3.34Å; L785-F789 WeakPolarHBondContact O-CD2 3.49Å; L785-F789 PolarHBondContact O-N 3.06Å; L785-W798 HydrophobicContact CB-CH2 3.74Å; L785-W798 HydrophobicContact CB-CZ2 3.92Å |
| 786 | A | 84.8 | Confident | 80.6 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.9 | -28 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L782 N783 F789 P790 P791 W798 F839 | L782-A786 WeakPolarHBondContact O-CB 3.03Å; L782-A786 PolarHBondContact O-N 2.9Å; N783-A786 PolarHBondContact O-N 3.15Å; A786-F789 CarbonylContact O-C 3.59Å; A786-P790 VanDerWaalsContact O-CA 3.26Å; A786-P790 WeakPolarHBondContact O-CA 3.25Å; A786-P791 HydrophobicContact CB-CG 4.35Å; A786-W798 HydrophobicContact CB-CH2 3.96Å; A786-W798 HydrophobicContact CB-CZ2 3.94Å; A786-F839 HydrophobicContact CB-CD2 3.76Å; A786-F839 HydrophobicContact CB-CE2 3.79Å |
| 787 | E | 80.9 | Confident | 80.7 | Confident | 115 Ų | 115 | 33.2 Ų | 33.2 | 54% | 0.537 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -70.5 | -44 | 173.8 | -165.5 | 161.8 | 145.6 | 0 | 0 | 112.2 | N783 M784 L785 R842 | N783-E787 PolarHBondContact O-N 3.38Å; M784-E787 PolarHBondContact O-N 3.3Å; L785-E787 VanDerWaalsContact C-N 3.29Å; L785-E787 PolarHBondContact O-N 3.12Å; E787-R842 IonicContact OE2-CZ 2.77Å; E787-R842 IonicContact OE2-NH1 3.01Å; E787-R842 PolarHBondContact OE2-NH1 2.92Å; E787-R842 IonicContact OE2-NH2 4Å; E787-R842 PolarHBondContact OE2-NH2 2.8Å |
| 788 | N | 80.7 | Confident | 81 | Confident | 63 Ų | 63 | 33.6 Ų | 33.6 | 34% | 0.337 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -80.7 | -29.9 | -179.8 | -76 | -81.7 | 0 | 0 | 0 | 113.1 | V688 R692 M784 L785 | V688-N788 HydrophobicContact CG1-CB 4.03Å; R692-N788 PolarHBondContact NH2-OD1 3.47Å; R692-N788 VanDerWaalsContact NH2-OD1 3.08Å; M784-N788 PolarHBondContact O-N 3.03Å; M784-N788 VanDerWaalsContact O-N 3.1Å; M784-N788 PolarHBondContact O-ND2 3.42Å; L785-N788 PolarHBondContact O-N 3.41Å |
| 789 | F | 82.8 | Confident | 80.7 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -131.4 | 77.1 | -178.2 | -50.3 | -73.9 | 0 | 0 | 0 | 110.3 | V688 V691 R692 V750 L754 L785 A786 Y794 W798 | V688-F789 HydrophobicContact CG1-CE2 4.15Å; V691-F789 HydrophobicContact CB-CE2 3.93Å; V691-F789 HydrophobicContact CB-CZ 4.03Å; V691-F789 HydrophobicContact CG1-CD2 4.38Å; V691-F789 HydrophobicContact CG1-CE1 4.28Å; V691-F789 HydrophobicContact CG1-CE2 3.76Å; V691-F789 HydrophobicContact CG1-CZ 3.69Å; V691-F789 HydrophobicContact CG2-CE2 4.43Å; R692-F789 HydrophobicContact CG-CE1 4.3Å; R692-F789 HydrophobicContact CG-CZ 3.74Å; V750-F789 HydrophobicContact CG1-CD1 3.8Å; V750-F789 HydrophobicContact CG1-CE1 3.68Å; V750-F789 HydrophobicContact CG1-CZ 4.49Å; L754-F789 HydrophobicContact CD1-CD2 4.21Å; L754-F789 HydrophobicContact CD2-CB 3.77Å; L754-F789 HydrophobicContact CD2-CG 4.29Å; L785-F789 HydrophobicContact CD2-CD2 4.02Å; L785-F789 HydrophobicContact CD2-CE2 4.05Å; L785-F789 WeakPolarHBondContact O-CA 3.08Å; L785-F789 WeakPolarHBondContact O-CB 3.34Å; L785-F789 WeakPolarHBondContact O-CD2 3.49Å; L785-F789 PolarHBondContact O-N 3.06Å; A786-F789 CarbonylContact O-C 3.59Å; F789-Y794 HydrophobicContact CB-CD2 3.86Å; F789-Y794 HydrophobicContact CB-CE2 4.14Å; F789-Y794 HydrophobicContact CD1-CE2 4.11Å; F789-W798 PolarHBondContact O-NE1 2.67Å |
| 790 | P | 78 | Confident | 80.1 | Confident | 54 Ų | 54 | 37 Ų | 37 | 35% | 0.351 | 18% | 0.175 | S | C | . | . | trans | -56 | 134.6 | -172.8 | -26.9 | 35.3 | 0 | 0 | 0 | 113.4 | A786 V792 R793 Y794 | A786-P790 VanDerWaalsContact O-CA 3.26Å; A786-P790 WeakPolarHBondContact O-CA 3.25Å; P790-V792 PolarHBondContact O-N 3.44Å; P790-V792 VanDerWaalsContact O-N 3.1Å; P790-R793 PolarHBondContact O-N 3.24Å; P790-Y794 PolarHBondContact O-N 3.49Å | ||
| 791 | P | 77.3 | Confident | 79.3 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.6 | 177.6 | -26.8 | 35 | 0 | 0 | 0 | 114.9 | A786 A795 W798 L843 | A786-P791 HydrophobicContact CB-CG 4.35Å; P791-A795 VanDerWaalsContact O-CA 3.3Å; P791-A795 WeakPolarHBondContact O-CA 3.31Å; P791-A795 PolarHBondContact O-N 3.11Å; P791-W798 HydrophobicContact CB-CB 4.24Å; P791-W798 HydrophobicContact CB-CG 4.01Å; P791-W798 HydrophobicContact CG-CD2 4.14Å; P791-W798 HydrophobicContact CG-CG 4.02Å; P791-L843 HydrophobicContact CB-CD1 4.25Å; P791-L843 HydrophobicContact CG-CD1 4.28Å |
| 792 | V | 69.4 | Low | 78.2 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -48.9 | 172.2 | 166.9 | 0 | 0 | 0 | 0 | 110.9 | F735 P790 A845 E849 | F735-V792 HydrophobicContact CB-CG1 3.86Å; F735-V792 HydrophobicContact CD2-CG1 3.7Å; F735-V792 HydrophobicContact CE2-CG1 4.45Å; F735-V792 HydrophobicContact CG-CG1 3.86Å; P790-V792 PolarHBondContact O-N 3.44Å; P790-V792 VanDerWaalsContact O-N 3.1Å; V792-A845 HydrophobicContact CG2-CB 4Å; V792-E849 WeakPolarHBondContact CA-OE2 3.34Å; V792-E849 VanDerWaalsContact CB-OE2 3.29Å; V792-E849 WeakPolarHBondContact CB-OE2 3.21Å; V792-E849 WeakPolarHBondContact CG1-OE2 3.24Å |
| 793 | R | 69.6 | Low | 77 | Confident | 132 Ų | 132 | 44.5 Ų | 44.5 | 50% | 0.498 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -33.9 | -178.7 | -173.6 | 175 | -178.8 | -178 | -0.7 | 113.2 | P790 | P790-R793 PolarHBondContact O-N 3.24Š|
| 794 | Y | 74.5 | Confident | 75.6 | Confident | 19 Ų | 19 | 53.2 Ų | 53.2 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | trans | -120 | 58.9 | -172.4 | -60 | -74 | 0 | 0 | 0 | 111.4 | A747 V750 E751 F789 P790 R796 P797 | A747-Y794 HydrophobicContact CB-CE1 4.01Å; V750-Y794 HydrophobicContact CG1-CE1 4.39Å; E751-Y794 HydrophobicContact CG-CD1 3.69Å; F789-Y794 HydrophobicContact CB-CD2 3.86Å; F789-Y794 HydrophobicContact CB-CE2 4.14Å; F789-Y794 HydrophobicContact CD1-CE2 4.11Å; P790-Y794 PolarHBondContact O-N 3.49Å; Y794-R796 VanDerWaalsContact C-N 3.34Å; Y794-R796 PolarHBondContact O-N 2.9Å; Y794-P797 VanDerWaalsContact O-CD 3.26Å; Y794-P797 WeakPolarHBondContact O-CD 3.44Å | ||
| 795 | A | 72.8 | Confident | 74.4 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -34.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P791 W798 V800 | P791-A795 VanDerWaalsContact O-CA 3.3Å; P791-A795 WeakPolarHBondContact O-CA 3.31Å; P791-A795 PolarHBondContact O-N 3.11Å; A795-W798 PolarHBondContact O-N 3.04Å; A795-V800 HydrophobicContact CB-CB 4.14Å; A795-V800 WeakPolarHBondContact O-CB 3.45Å; A795-V800 PolarHBondContact O-N 3.4Å |
| 796 | R | 75.4 | Confident | 73.5 | Confident | 153 Ų | 153 | 63.4 Ų | 63.4 | 58% | 0.577 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -53.3 | -176.9 | -76.2 | 174.5 | -178.9 | 162.3 | -0.8 | 113.4 | E751 Y794 W798 L799 V801 | E751-R796 WeakPolarHBondContact OE2-CD 3.06Å; E751-R796 IonicContact OE2-NH1 2.74Å; Y794-R796 VanDerWaalsContact C-N 3.34Å; Y794-R796 PolarHBondContact O-N 2.9Å; R796-W798 PolarHBondContact O-N 3.46Å; R796-L799 PolarHBondContact O-N 3.19Å; R796-L799 VanDerWaalsContact O-N 3.1Å; R796-V801 HydrophobicContact CG-CG2 4.23Å |
| 797 | P | 79.3 | Confident | 73 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -34.8 | 177.5 | -28.2 | 29 | 0 | 0 | 0 | 115.3 | E751 L754 Y794 L799 | E751-P797 HydrophobicContact CB-CG 3.78Å; E751-P797 HydrophobicContact CG-CG 3.75Å; E751-P797 WeakPolarHBondContact O-CG 3.41Å; L754-P797 HydrophobicContact CB-CB 3.96Å; L754-P797 HydrophobicContact CB-CG 4.12Å; L754-P797 HydrophobicContact CD2-CB 3.65Å; L754-P797 HydrophobicContact CD2-CG 3.93Å; L754-P797 HydrophobicContact CG-CB 3.68Å; L754-P797 HydrophobicContact CG-CG 4.23Å; Y794-P797 VanDerWaalsContact O-CD 3.26Å; Y794-P797 WeakPolarHBondContact O-CD 3.44Å; P797-L799 PolarHBondContact O-N 3.06Å |
| 798 | W | 82.6 | Confident | 72.7 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 9.9 | -177.2 | -65.9 | 106.8 | 0 | 0 | 0 | 113.2 | V758 L782 L785 A786 F789 P791 A795 R796 V800 F839 L843 | V758-W798 HydrophobicContact CG1-CE3 4.42Å; V758-W798 HydrophobicContact CG2-CH2 4.37Å; V758-W798 HydrophobicContact CG2-CZ3 4.33Å; L782-W798 HydrophobicContact CD2-CH2 4.37Å; L782-W798 HydrophobicContact CD2-CZ3 3.97Å; L782-W798 WeakPolarHBondContact O-CH2 3.27Å; L785-W798 HydrophobicContact CB-CH2 3.74Å; L785-W798 HydrophobicContact CB-CZ2 3.92Å; A786-W798 HydrophobicContact CB-CH2 3.96Å; A786-W798 HydrophobicContact CB-CZ2 3.94Å; F789-W798 PolarHBondContact O-NE1 2.67Å; P791-W798 HydrophobicContact CB-CB 4.24Å; P791-W798 HydrophobicContact CB-CG 4.01Å; P791-W798 HydrophobicContact CG-CD2 4.14Å; P791-W798 HydrophobicContact CG-CG 4.02Å; A795-W798 PolarHBondContact O-N 3.04Å; R796-W798 PolarHBondContact O-N 3.46Å; W798-V800 HydrophobicContact CB-CG2 3.73Å; W798-V800 PolarHBondContact O-N 3.14Å; W798-F839 HydrophobicContact CE3-CE2 4.16Å; W798-F839 HydrophobicContact CE3-CZ 4.11Å; W798-F839 AromaticContact CH2-CE2 3.94Å; W798-F839 HydrophobicContact CH2-CE2 3.94Å; W798-F839 HydrophobicContact CH2-CZ 4.48Å; W798-F839 AromaticContact CZ3-CE2 3.48Å; W798-F839 HydrophobicContact CZ3-CE2 3.48Å; W798-F839 VanDerWaalsContact CZ3-CE2 3.48Å; W798-F839 AromaticContact CZ3-CZ 3.61Å; W798-F839 HydrophobicContact CZ3-CZ 3.61Å; W798-L843 HydrophobicContact CB-CD1 4Å |
| 799 | L | 77.9 | Confident | 72.8 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 38% | 0.377 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 27.9 | -177.8 | -56 | 170.3 | 0 | 0 | 0 | 112.9 | R796 P797 V801 V808 A809 I812 | R796-L799 PolarHBondContact O-N 3.19Å; R796-L799 VanDerWaalsContact O-N 3.1Å; P797-L799 PolarHBondContact O-N 3.06Å; L799-V801 PolarHBondContact O-N 3.44Å; L799-V801 VanDerWaalsContact O-N 3.13Å; L799-V808 HydrophobicContact CB-CB 4.2Å; L799-V808 HydrophobicContact CB-CG1 4.12Å; L799-V808 HydrophobicContact CD1-CG1 4.28Å; L799-A809 PolarHBondContact O-N 3.14Å; L799-I812 HydrophobicContact CD1-CD1 3.9Å |
| 800 | V | 70.7 | Confident | 72.7 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | trans | -90.3 | 59.2 | 177.9 | -169.8 | 0 | 0 | 0 | 0 | 108.8 | A795 W798 A809 L843 G846 C847 A850 | A795-V800 HydrophobicContact CB-CB 4.14Å; A795-V800 WeakPolarHBondContact O-CB 3.45Å; A795-V800 PolarHBondContact O-N 3.4Å; W798-V800 HydrophobicContact CB-CG2 3.73Å; W798-V800 PolarHBondContact O-N 3.14Å; V800-A809 HydrophobicContact CG2-CB 4Å; V800-L843 HydrophobicContact CG2-CD1 3.94Å; V800-G846 VanDerWaalsContact CG1-O 3.22Å; V800-G846 WeakPolarHBondContact CG1-O 3.33Å; V800-C847 VanDerWaalsContact CG1-CA 3.44Å; V800-C847 HydrophobicContact CG1-CB 4.33Å; V800-A850 HydrophobicContact CG1-CB 3.46Å; V800-A850 VanDerWaalsContact CG1-CB 3.46Å; V800-A850 WeakPolarHBondContact O-CB 3.43Å | ||
| 801 | V | 69.5 | Low | 72.8 | Confident | 67 Ų | 67 | 58 Ų | 58 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | trans | -124.3 | 129.1 | 179.8 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | R796 L799 | R796-V801 HydrophobicContact CG-CG2 4.23Å; L799-V801 PolarHBondContact O-N 3.44Å; L799-V801 VanDerWaalsContact O-N 3.13Å | ||
| 802 | K | 65.1 | Low | 73.1 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 27% | 0.274 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.6 | 178.5 | -172.4 | 176 | -177.5 | 172.1 | 0 | 109.8 | Q806 N851 | K802-Q806 WeakPolarHBondContact CA-O 3.27Å; K802-N851 PolarHBondContact NZ-OD1 2.85Å |
| 803 | T | 62.1 | Low | 73.9 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 113.4 | 174.1 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | D805 Q806 | T803-D805 PolarHBondContact O-N 3.11Å; T803-Q806 PolarHBondContact N-O 3.33Å; T803-Q806 PolarHBondContact O-N 3.31Å |
| 804 | E | 59.2 | Low | 74.6 | Confident | 198 Ų | 198 | 54.9 Ų | 54.9 | 93% | 0.925 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | -46.8 | -179.9 | -65.1 | -173.6 | 170.6 | 0 | 0 | 117.1 | ||
| 805 | D | 62.8 | Low | 75 | Confident | 126 Ų | 126 | 57.9 Ų | 57.9 | 67% | 0.674 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.9 | 3.5 | 166.7 | -89.9 | -39 | 0 | 0 | 0 | 115 | T803 | T803-D805 PolarHBondContact O-N 3.11Š|
| 806 | Q | 67.5 | Low | 75.5 | Confident | 108 Ų | 108 | 56.6 Ų | 56.6 | 51% | 0.505 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 150 | -175 | -65.1 | -172.7 | -40.9 | 0 | 0 | 112.6 | K802 T803 E871 | K802-Q806 WeakPolarHBondContact CA-O 3.27Å; T803-Q806 PolarHBondContact N-O 3.33Å; T803-Q806 PolarHBondContact O-N 3.31Å; Q806-E871 WeakPolarHBondContact CG-OE1 3.35Å; Q806-E871 PolarHBondContact NE2-OE1 3.28Å |
| 807 | I | 74.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 108.9 | 171 | -60.4 | 172.6 | 0 | 0 | 0 | 107 | A809 C810 C847 N851 L872 | I807-A809 HydrophobicContact CG2-CB 4.26Å; I807-A809 PolarHBondContact O-N 3.38Å; I807-A809 VanDerWaalsContact O-N 3.13Å; I807-C810 VanDerWaalsContact O-CB 3.3Å; I807-C810 WeakPolarHBondContact O-CB 3.27Å; I807-C810 PolarHBondContact O-N 3.09Å; I807-C847 HydrophobicContact CG2-CB 4.27Å; I807-N851 HydrophobicContact CD1-CB 4.27Å; I807-L872 HydrophobicContact CD1-CD1 4.24Å |
| 808 | V | 75.3 | Confident | 75.8 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 39% | 0.394 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56 | -36.7 | -172.4 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | L799 C810 S811 | L799-V808 HydrophobicContact CB-CB 4.2Å; L799-V808 HydrophobicContact CB-CG1 4.12Å; L799-V808 HydrophobicContact CD1-CG1 4.28Å; V808-C810 PolarHBondContact O-N 3.48Å; V808-S811 WeakPolarHBondContact O-CB 2.98Å; V808-S811 PolarHBondContact O-N 3.33Å; V808-S811 PolarHBondContact O-OG 3.43Å |
| 809 | A | 82.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59 | -26.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L799 V800 I807 S811 I812 I813 L843 | L799-A809 PolarHBondContact O-N 3.14Å; V800-A809 HydrophobicContact CG2-CB 4Å; I807-A809 HydrophobicContact CG2-CB 4.26Å; I807-A809 PolarHBondContact O-N 3.38Å; I807-A809 VanDerWaalsContact O-N 3.13Å; A809-S811 PolarHBondContact O-N 2.68Å; A809-I812 WeakPolarHBondContact O-CB 2.91Å; A809-I812 PolarHBondContact O-N 3.39Å; A809-I812 VanDerWaalsContact O-N 3.08Å; A809-I813 PolarHBondContact O-N 3.22Å; A809-I813 VanDerWaalsContact O-N 3.11Å; A809-L843 HydrophobicContact CB-CD1 4.31Å; A809-L843 HydrophobicContact CB-CD2 4.43Å; A809-L843 HydrophobicContact CB-CG 4.41Å |
| 810 | C | 81.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -34.9 | 176.6 | -70.7 | 0 | 0 | 0 | 0 | 112.1 | I807 V808 I812 I813 Q814 E871 | I807-C810 VanDerWaalsContact O-CB 3.3Å; I807-C810 WeakPolarHBondContact O-CB 3.27Å; I807-C810 PolarHBondContact O-N 3.09Å; V808-C810 PolarHBondContact O-N 3.48Å; C810-I812 VanDerWaalsContact C-N 3.31Å; C810-I812 PolarHBondContact O-N 3.48Å; C810-I813 PolarHBondContact O-N 3.24Å; C810-Q814 WeakPolarHBondContact O-CG 3.3Å; C810-Q814 PolarHBondContact O-N 2.87Å; C810-E871 HydrophobicContact CB-CB 4.31Å |
| 811 | S | 80.5 | Confident | 75.7 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 46% | 0.462 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.3 | -34.3 | 176 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | V808 A809 H815 | V808-S811 WeakPolarHBondContact O-CB 2.98Å; V808-S811 PolarHBondContact O-N 3.33Å; V808-S811 PolarHBondContact O-OG 3.43Å; A809-S811 PolarHBondContact O-N 2.68Å; S811-H815 WeakPolarHBondContact O-CB 2.99Å; S811-H815 PolarHBondContact O-N 3.36Å |
| 812 | I | 83.1 | Confident | 75.7 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70 | -43.3 | 176.6 | -59.4 | 175.5 | 0 | 0 | 0 | 109.8 | L799 A809 C810 Q814 H815 L816 | L799-I812 HydrophobicContact CD1-CD1 3.9Å; A809-I812 WeakPolarHBondContact O-CB 2.91Å; A809-I812 PolarHBondContact O-N 3.39Å; A809-I812 VanDerWaalsContact O-N 3.08Å; C810-I812 VanDerWaalsContact C-N 3.31Å; C810-I812 PolarHBondContact O-N 3.48Å; I812-Q814 VanDerWaalsContact C-N 3.35Å; I812-Q814 PolarHBondContact O-N 3.3Å; I812-H815 WeakPolarHBondContact O-CB 3.44Å; I812-H815 PolarHBondContact O-N 3.17Å; I812-H815 VanDerWaalsContact O-N 3.15Å; I812-L816 HydrophobicContact CG2-CD1 4.19Å; I812-L816 HydrophobicContact CG2-CG 4.48Å; I812-L816 WeakPolarHBondContact O-CG 2.96Å; I812-L816 PolarHBondContact O-N 3.32Å |
| 813 | I | 85.2 | Confident | 75.3 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 175.9 | -63.7 | 171.4 | 0 | 0 | 0 | 110.6 | A809 C810 H815 L816 L817 I840 L843 L844 V875 | A809-I813 PolarHBondContact O-N 3.22Å; A809-I813 VanDerWaalsContact O-N 3.11Å; C810-I813 PolarHBondContact O-N 3.24Å; I813-H815 VanDerWaalsContact C-N 3.29Å; I813-H815 PolarHBondContact O-N 2.95Å; I813-L816 PolarHBondContact O-N 3.05Å; I813-L817 HydrophobicContact CG2-CD1 4.15Å; I813-L817 HydrophobicContact CG2-CG 4.48Å; I813-L817 WeakPolarHBondContact O-CG 3.35Å; I813-L817 PolarHBondContact O-N 2.95Å; I813-I840 HydrophobicContact CG2-CG1 4.35Å; I813-I840 HydrophobicContact CG2-CG2 3.61Å; I813-L843 HydrophobicContact CD1-CD2 4.21Å; I813-L843 HydrophobicContact CD1-CG 4.24Å; I813-L843 HydrophobicContact CG1-CD2 3.71Å; I813-L843 HydrophobicContact CG1-CG 4.28Å; I813-L844 HydrophobicContact CD1-CB 4.42Å; I813-L844 HydrophobicContact CD1-CD1 4.37Å; I813-V875 HydrophobicContact CB-CG1 4.39Å; I813-V875 HydrophobicContact CD1-CG1 4.39Å; I813-V875 HydrophobicContact CG2-CG1 3.58Å |
| 814 | Q | 84.7 | Confident | 75 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.2 | -36 | 176.5 | -71.4 | 177.1 | -3.5 | 0 | 0 | 112.4 | C810 I812 K818 V875 | C810-Q814 WeakPolarHBondContact O-CG 3.3Å; C810-Q814 PolarHBondContact O-N 2.87Å; I812-Q814 VanDerWaalsContact C-N 3.35Å; I812-Q814 PolarHBondContact O-N 3.3Å; Q814-K818 WeakPolarHBondContact O-CG 2.96Å; Q814-K818 PolarHBondContact O-N 2.92Å; Q814-K818 VanDerWaalsContact O-N 3.08Å; Q814-V875 HydrophobicContact CG-CG2 3.97Å |
| 815 | H | 82.8 | Confident | 74.7 | Confident | 82 Ų | 82 | 48.8 Ų | 48.8 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 174.9 | -171.1 | 69.9 | 0 | 0 | 0 | 112 | S811 I812 I813 K818 I819 | S811-H815 WeakPolarHBondContact O-CB 2.99Å; S811-H815 PolarHBondContact O-N 3.36Å; I812-H815 WeakPolarHBondContact O-CB 3.44Å; I812-H815 PolarHBondContact O-N 3.17Å; I812-H815 VanDerWaalsContact O-N 3.15Å; I813-H815 VanDerWaalsContact C-N 3.29Å; I813-H815 PolarHBondContact O-N 2.95Å; H815-K818 WeakPolarHBondContact O-CB 3.41Å; H815-K818 PolarHBondContact O-N 3.47Å; H815-I819 WeakPolarHBondContact O-CG1 3.44Å; H815-I819 PolarHBondContact O-N 3.41Å |
| 816 | L | 84.3 | Confident | 74.2 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 176.4 | -69.8 | 170.5 | 0 | 0 | 0 | 112.4 | L765 I779 I812 I813 K818 I819 L820 T836 F839 I840 | L765-L816 HydrophobicContact CD2-CD2 4.33Å; I779-L816 HydrophobicContact CD1-CD2 4.07Å; I779-L816 HydrophobicContact CG1-CD2 4.14Å; I812-L816 HydrophobicContact CG2-CD1 4.19Å; I812-L816 HydrophobicContact CG2-CG 4.48Å; I812-L816 WeakPolarHBondContact O-CG 2.96Å; I812-L816 PolarHBondContact O-N 3.32Å; I813-L816 PolarHBondContact O-N 3.05Å; L816-K818 VanDerWaalsContact C-N 3.3Å; L816-K818 PolarHBondContact O-N 3.31Å; L816-I819 HydrophobicContact CD2-CD1 4.28Å; L816-I819 PolarHBondContact O-N 3.31Å; L816-L820 PolarHBondContact O-N 3Å; L816-T836 HydrophobicContact CB-CG2 4.09Å; L816-F839 HydrophobicContact CD1-CD1 3.71Å; L816-F839 HydrophobicContact CD1-CE1 3.69Å; L816-I840 HydrophobicContact CB-CD1 4.02Å; L816-I840 HydrophobicContact CB-CG1 4.3Å; L816-I840 HydrophobicContact CD1-CG1 4.16Å |
| 817 | L | 81.9 | Confident | 73.7 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 173.4 | -72.4 | 173.5 | 0 | 0 | 0 | 111.6 | I813 L820 I840 L879 | I813-L817 HydrophobicContact CG2-CD1 4.15Å; I813-L817 HydrophobicContact CG2-CG 4.48Å; I813-L817 WeakPolarHBondContact O-CG 3.35Å; I813-L817 PolarHBondContact O-N 2.95Å; L817-L820 PolarHBondContact O-N 2.83Å; L817-I840 HydrophobicContact CD2-CD1 3.85Å; L817-I840 HydrophobicContact CG-CD1 4.05Å; L817-L879 HydrophobicContact CD1-CD2 4.39Å; L817-L879 HydrophobicContact CD2-CD2 4.02Å |
| 818 | K | 78.9 | Confident | 73.3 | Confident | 132 Ų | 132 | 53.1 Ų | 53.1 | 57% | 0.574 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66 | -36.8 | 173.2 | -74.9 | 172.7 | -177.8 | 174.4 | 0 | 112.7 | Q814 H815 L816 L820 E821 | Q814-K818 WeakPolarHBondContact O-CG 2.96Å; Q814-K818 PolarHBondContact O-N 2.92Å; Q814-K818 VanDerWaalsContact O-N 3.08Å; H815-K818 WeakPolarHBondContact O-CB 3.41Å; H815-K818 PolarHBondContact O-N 3.47Å; L816-K818 VanDerWaalsContact C-N 3.3Å; L816-K818 PolarHBondContact O-N 3.31Å; K818-L820 VanDerWaalsContact C-N 3.28Å; K818-L820 PolarHBondContact O-N 3.3Å; K818-E821 WeakPolarHBondContact O-CB 3.45Å; K818-E821 PolarHBondContact O-N 3.35Å |
| 819 | I | 78.2 | Confident | 73.1 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 176.5 | -71.9 | 166.3 | 0 | 0 | 0 | 110.9 | L765 H815 L816 E821 V822 L825 | L765-I819 HydrophobicContact CD1-CD1 4.42Å; H815-I819 WeakPolarHBondContact O-CG1 3.44Å; H815-I819 PolarHBondContact O-N 3.41Å; L816-I819 HydrophobicContact CD2-CD1 4.28Å; L816-I819 PolarHBondContact O-N 3.31Å; I819-E821 PolarHBondContact O-N 3.35Å; I819-V822 PolarHBondContact O-N 3.36Å; I819-L825 HydrophobicContact CG2-CD1 4.39Å |
| 820 | L | 77.4 | Confident | 72.9 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.5 | 175.7 | -66.7 | 175.9 | 0 | 0 | 0 | 113.4 | L816 L817 K818 W833 T836 L837 | L816-L820 PolarHBondContact O-N 3Å; L817-L820 PolarHBondContact O-N 2.83Å; K818-L820 VanDerWaalsContact C-N 3.28Å; K818-L820 PolarHBondContact O-N 3.3Å; L820-W833 HydrophobicContact CB-CH2 4.23Å; L820-W833 HydrophobicContact CB-CZ2 3.94Å; L820-W833 HydrophobicContact CD1-CD2 4.44Å; L820-W833 HydrophobicContact CD1-CE3 4.22Å; L820-W833 HydrophobicContact CD1-CZ3 4.32Å; L820-W833 HydrophobicContact CD2-CD2 4.05Å; L820-W833 HydrophobicContact CD2-CG 4.01Å; L820-W833 WeakPolarHBondContact O-CZ2 3.31Å; L820-T836 HydrophobicContact CD1-CG2 3.87Å; L820-T836 HydrophobicContact CD2-CG2 4.14Å; L820-T836 HydrophobicContact CG-CG2 4.02Å; L820-L837 HydrophobicContact CD1-CD2 4.38Å |
| 821 | E | 73.1 | Confident | 72.8 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7.5 | 177.7 | -63.2 | -173.6 | 152.2 | 0 | 0 | 113.7 | K818 I819 P951 | K818-E821 WeakPolarHBondContact O-CB 3.45Å; K818-E821 PolarHBondContact O-N 3.35Å; I819-E821 PolarHBondContact O-N 3.35Å; E821-P951 HydrophobicContact CB-CG 4.42Å |
| 822 | V | 69.5 | Low | 72.7 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | trans | -94.1 | 128.4 | -176.7 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | I819 G824 | I819-V822 PolarHBondContact O-N 3.36Å; V822-G824 PolarHBondContact O-N 3.16Å | ||
| 823 | D | 57.5 | Low | 72.9 | Confident | 85 Ų | 85 | 51.4 Ų | 51.4 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -0.4 | -173.9 | -82.3 | -41.4 | 0 | 0 | 0 | 116.5 | L825 R954 | D823-L825 PolarHBondContact O-N 2.8Å; D823-R954 PolarHBondContact O-NH1 2.98Å; D823-R954 IonicContact OD1-NH1 3.14Å |
| 824 | G | 55 | Low | 73 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 25% | 0.247 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -8.9 | -164 | 0 | 0 | 0 | 0 | 0 | 117.8 | V822 Q826 | V822-G824 PolarHBondContact O-N 3.16Å; G824-Q826 PolarHBondContact O-N 3.38Å |
| 825 | L | 53.9 | Low | 73 | Confident | 18 Ų | 18 | 51 Ų | 51 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | trans | -97.8 | 87 | -174.9 | -70.2 | 132.9 | 0 | 0 | 0 | 110.7 | P775 I776 I819 D823 N832 | P775-L825 HydrophobicContact CG-CD2 4.44Å; I776-L825 HydrophobicContact CD1-CD2 3.66Å; I776-L825 HydrophobicContact CG1-CD2 3.47Å; I776-L825 VanDerWaalsContact CG1-CD2 3.47Å; I819-L825 HydrophobicContact CG2-CD1 4.39Å; D823-L825 PolarHBondContact O-N 2.8Å; L825-N832 WeakPolarHBondContact CD1-ND2 3.27Å | ||
| 826 | Q | 52.1 | Low | 73.2 | Confident | 164 Ų | 164 | 47.1 Ų | 47.1 | 77% | 0.766 | 25% | 0.248 | S | C | * | . | trans | -82.3 | -23.4 | -160 | -62.6 | -168.4 | -3.6 | 0 | 0 | 116.5 | G824 | G824-Q826 PolarHBondContact O-N 3.38Š| ||
| 827 | S | 55.4 | Low | 73.3 | Confident | 103 Ų | 103 | 47 Ų | 47 | 72% | 0.72 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -99.3 | -32.9 | -171.2 | 54.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 828 | E | 66.6 | Low | 73.5 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 27% | 0.271 | 25% | 0.245 | S | C | . | . | trans | -139.6 | 46.7 | -168.6 | -69.6 | 174.3 | -166 | 0 | 0 | 113.3 | R680 L830 F831 N832 | R680-E828 IonicContact NH2-OE1 2.81Å; R680-E828 IonicContact NH2-OE2 3.42Å; R680-E828 PolarHBondContact NH2-OE2 3.17Å; E828-L830 PolarHBondContact O-N 3.43Å; E828-L830 VanDerWaalsContact O-N 3.13Å; E828-F831 PolarHBondContact O-N 3.1Å; E828-N832 PolarHBondContact O-N 3.28Å | ||
| 829 | A | 70.9 | Confident | 74 | Confident | 24 Ų | 24 | 40.4 Ų | 40.4 | 20% | 0.198 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.1 | -38.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N832 W833 I958 | A829-N832 PolarHBondContact O-N 2.68Å; A829-W833 PolarHBondContact O-N 3.44Å; A829-W833 VanDerWaalsContact O-N 3.11Å; A829-I958 HydrophobicContact CB-CD1 3.77Å |
| 830 | L | 78.3 | Confident | 74.5 | Confident | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.5 | -41.9 | -173.1 | -144.2 | 148.1 | 0 | 0 | 0 | 113 | E828 W833 Q834 I958 L959 Q962 R977 L981 | E828-L830 PolarHBondContact O-N 3.43Å; E828-L830 VanDerWaalsContact O-N 3.13Å; L830-W833 PolarHBondContact O-N 3.03Å; L830-Q834 PolarHBondContact O-N 3.17Å; L830-Q834 VanDerWaalsContact O-N 3.1Å; L830-I958 HydrophobicContact CD1-CG2 3.72Å; L830-L959 HydrophobicContact CD1-CD2 3.75Å; L830-L959 HydrophobicContact CD1-CG 4.23Å; L830-L959 HydrophobicContact CG-CD2 4.4Å; L830-Q962 HydrophobicContact CD1-CG 4.03Å; L830-R977 VanDerWaalsContact CD2-O 3.3Å; L830-R977 WeakPolarHBondContact CD2-O 3.41Å; L830-L981 HydrophobicContact CD2-CB 3.83Å; L830-L981 HydrophobicContact CD2-CD2 4.47Å |
| 831 | F | 79 | Confident | 74.8 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 175.8 | -178.3 | -119 | 0 | 0 | 0 | 111.7 | E677 Y780 E828 W833 Q834 I835 | E677-F831 WeakPolarHBondContact OE1-CZ 3.41Å; Y780-F831 HydrophobicContact CD2-CE1 4.28Å; Y780-F831 AromaticContact CD2-CZ 3.97Å; Y780-F831 HydrophobicContact CD2-CZ 3.97Å; Y780-F831 AromaticContact CE2-CZ 3.84Å; Y780-F831 HydrophobicContact CE2-CZ 3.84Å; E828-F831 PolarHBondContact O-N 3.1Å; F831-W833 PolarHBondContact O-N 3.1Å; F831-Q834 WeakPolarHBondContact O-CB 3.37Å; F831-Q834 PolarHBondContact O-N 3Å; F831-I835 HydrophobicContact CD1-CD1 3.44Å; F831-I835 VanDerWaalsContact CD1-CD1 3.44Å; F831-I835 HydrophobicContact CD2-CD1 3.84Å; F831-I835 HydrophobicContact CD2-CG1 4.32Å; F831-I835 HydrophobicContact CE1-CD1 3.19Å; F831-I835 HydrophobicContact CE1-CG1 4.48Å; F831-I835 HydrophobicContact CE2-CD1 3.62Å; F831-I835 HydrophobicContact CE2-CG1 4.16Å; F831-I835 HydrophobicContact CG-CD1 3.79Å; F831-I835 HydrophobicContact CZ-CD1 3.33Å; F831-I835 HydrophobicContact CZ-CG1 4.28Å; F831-I835 WeakPolarHBondContact O-CD1 3.45Å; F831-I835 WeakPolarHBondContact O-CG1 3.48Å; F831-I835 PolarHBondContact O-N 2.8Å |
| 832 | N | 79.7 | Confident | 75.3 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 176.9 | -173.8 | 23.9 | 0 | 0 | 0 | 112.3 | L825 E828 A829 Q834 T836 | L825-N832 WeakPolarHBondContact CD1-ND2 3.27Å; E828-N832 PolarHBondContact O-N 3.28Å; A829-N832 PolarHBondContact O-N 2.68Å; N832-Q834 VanDerWaalsContact C-N 3.32Å; N832-Q834 PolarHBondContact O-N 3.13Å; N832-T836 VanDerWaalsContact O-CB 3.23Å; N832-T836 WeakPolarHBondContact O-CB 3.41Å; N832-T836 PolarHBondContact O-N 3.44Å; N832-T836 PolarHBondContact O-OG1 3.35Å; N832-T836 PolarHBondContact OD1-OG1 3.26Å; N832-T836 VanDerWaalsContact OD1-OG1 3.12Å |
| 833 | W | 85.4 | Confident | 76 | Confident | 25 Ų | 25 | 34.2 Ų | 34.2 | 10% | 0.095 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 174 | -86.7 | 74.6 | 0 | 0 | 0 | 111.8 | L820 A829 L830 F831 L837 V886 L955 L981 | L820-W833 HydrophobicContact CB-CH2 4.23Å; L820-W833 HydrophobicContact CB-CZ2 3.94Å; L820-W833 HydrophobicContact CD1-CD2 4.44Å; L820-W833 HydrophobicContact CD1-CE3 4.22Å; L820-W833 HydrophobicContact CD1-CZ3 4.32Å; L820-W833 HydrophobicContact CD2-CD2 4.05Å; L820-W833 HydrophobicContact CD2-CG 4.01Å; L820-W833 WeakPolarHBondContact O-CZ2 3.31Å; A829-W833 PolarHBondContact O-N 3.44Å; A829-W833 VanDerWaalsContact O-N 3.11Å; L830-W833 PolarHBondContact O-N 3.03Å; F831-W833 PolarHBondContact O-N 3.1Å; W833-L837 HydrophobicContact CE3-CD1 4.09Å; W833-L837 WeakPolarHBondContact O-CB 3.47Å; W833-L837 WeakPolarHBondContact O-CG 3.26Å; W833-L837 PolarHBondContact O-N 3.03Å; W833-L837 VanDerWaalsContact O-N 3.15Å; W833-V886 HydrophobicContact CZ3-CG2 4.42Å; W833-L955 HydrophobicContact CD2-CD2 4.16Å; W833-L955 HydrophobicContact CE3-CD2 4.17Å; W833-L955 HydrophobicContact CG-CD1 4.48Å; W833-L955 HydrophobicContact CZ3-CD2 4.39Å; W833-L981 HydrophobicContact CB-CD1 3.78Å |
| 834 | Q | 87.6 | Confident | 77.3 | Confident | 52 Ų | 52 | 30.2 Ų | 30.2 | 24% | 0.243 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.6 | -53.1 | 179 | -173.6 | -175.8 | -14.8 | 0 | 0 | 111.8 | L830 F831 N832 T838 S984 | L830-Q834 PolarHBondContact O-N 3.17Å; L830-Q834 VanDerWaalsContact O-N 3.1Å; F831-Q834 WeakPolarHBondContact O-CB 3.37Å; F831-Q834 PolarHBondContact O-N 3Å; N832-Q834 VanDerWaalsContact C-N 3.32Å; N832-Q834 PolarHBondContact O-N 3.13Å; Q834-T838 WeakPolarHBondContact O-CB 3.46Å; Q834-T838 PolarHBondContact O-N 3.26Å; Q834-T838 VanDerWaalsContact O-N 3.16Å; Q834-T838 PolarHBondContact O-OG1 3.08Å; Q834-S984 WeakPolarHBondContact CG-OG 3.01Å; Q834-S984 PolarHBondContact O-OG 3.07Å |
| 835 | I | 85.5 | Confident | 78.4 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 5% | 0.046 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.6 | -45.1 | -177 | -63.3 | 157.5 | 0 | 0 | 0 | 111.2 | I779 Y780 N783 F831 L837 T838 F839 | I779-I835 HydrophobicContact CG2-CG2 4.03Å; Y780-I835 HydrophobicContact CD2-CD1 3.56Å; Y780-I835 HydrophobicContact CD2-CG1 4.24Å; Y780-I835 HydrophobicContact CE2-CD1 4.3Å; Y780-I835 HydrophobicContact CG-CD1 4.48Å; N783-I835 HydrophobicContact CB-CG2 3.55Å; F831-I835 HydrophobicContact CD1-CD1 3.44Å; F831-I835 VanDerWaalsContact CD1-CD1 3.44Å; F831-I835 HydrophobicContact CD2-CD1 3.84Å; F831-I835 HydrophobicContact CD2-CG1 4.32Å; F831-I835 HydrophobicContact CE1-CD1 3.19Å; F831-I835 HydrophobicContact CE1-CG1 4.48Å; F831-I835 HydrophobicContact CE2-CD1 3.62Å; F831-I835 HydrophobicContact CE2-CG1 4.16Å; F831-I835 HydrophobicContact CG-CD1 3.79Å; F831-I835 HydrophobicContact CZ-CD1 3.33Å; F831-I835 HydrophobicContact CZ-CG1 4.28Å; F831-I835 WeakPolarHBondContact O-CD1 3.45Å; F831-I835 WeakPolarHBondContact O-CG1 3.48Å; F831-I835 PolarHBondContact O-N 2.8Å; I835-L837 PolarHBondContact O-N 3.35Å; I835-T838 PolarHBondContact O-N 3.38Å; I835-F839 WeakPolarHBondContact O-CB 3.37Å; I835-F839 PolarHBondContact O-N 3.49Å |
| 836 | T | 86.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | -176 | -56.9 | 0 | 0 | 0 | 0 | 111 | L816 L820 N832 F839 I840 | L816-T836 HydrophobicContact CB-CG2 4.09Å; L820-T836 HydrophobicContact CD1-CG2 3.87Å; L820-T836 HydrophobicContact CD2-CG2 4.14Å; L820-T836 HydrophobicContact CG-CG2 4.02Å; N832-T836 VanDerWaalsContact O-CB 3.23Å; N832-T836 WeakPolarHBondContact O-CB 3.41Å; N832-T836 PolarHBondContact O-N 3.44Å; N832-T836 PolarHBondContact O-OG1 3.35Å; N832-T836 PolarHBondContact OD1-OG1 3.26Å; N832-T836 VanDerWaalsContact OD1-OG1 3.12Å; T836-F839 PolarHBondContact O-N 3.19Å; T836-I840 HydrophobicContact CG2-CD1 3.85Å; T836-I840 HydrophobicContact CG2-CG1 4.44Å; T836-I840 WeakPolarHBondContact O-CB 3.49Å; T836-I840 VanDerWaalsContact O-CG1 3.24Å; T836-I840 WeakPolarHBondContact O-CG1 3.35Å; T836-I840 PolarHBondContact O-N 3.39Å |
| 837 | L | 86.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.9 | -37.7 | 177.6 | -71.4 | 175 | 0 | 0 | 0 | 112.4 | L820 W833 I835 I840 G841 L981 V985 | L820-L837 HydrophobicContact CD1-CD2 4.38Å; W833-L837 HydrophobicContact CE3-CD1 4.09Å; W833-L837 WeakPolarHBondContact O-CB 3.47Å; W833-L837 WeakPolarHBondContact O-CG 3.26Å; W833-L837 PolarHBondContact O-N 3.03Å; W833-L837 VanDerWaalsContact O-N 3.15Å; I835-L837 PolarHBondContact O-N 3.35Å; L837-I840 PolarHBondContact O-N 3.41Å; L837-G841 PolarHBondContact O-N 3.48Å; L837-L981 HydrophobicContact CD1-CD1 4.19Å; L837-V985 HydrophobicContact CD1-CG2 3.77Å |
| 838 | T | 86.7 | Confident | 81.6 | Confident | 14 Ų | 14 | 16.6 Ų | 16.6 | 9% | 0.086 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.4 | -52 | 0 | 0 | 0 | 0 | 110.9 | Q834 I835 G841 R842 S984 | Q834-T838 WeakPolarHBondContact O-CB 3.46Å; Q834-T838 PolarHBondContact O-N 3.26Å; Q834-T838 VanDerWaalsContact O-N 3.16Å; Q834-T838 PolarHBondContact O-OG1 3.08Å; I835-T838 PolarHBondContact O-N 3.38Å; T838-G841 PolarHBondContact O-N 3.27Å; T838-R842 WeakPolarHBondContact O-CG 3.48Å; T838-R842 PolarHBondContact O-N 2.95Å; T838-R842 VanDerWaalsContact O-N 3.13Å; T838-S984 VanDerWaalsContact OG1-CB 3.29Å; T838-S984 WeakPolarHBondContact OG1-CB 3.25Å; T838-S984 PolarHBondContact OG1-OG 3.35Å |
| 839 | F | 88 | Confident | 81.7 | Confident | 5 Ų | 5 | 15.9 Ų | 15.9 | 2% | 0.022 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 177.2 | 176.8 | -111.9 | 0 | 0 | 0 | 112.4 | L782 N783 A786 W798 L816 I835 T836 G841 R842 L843 | L782-F839 HydrophobicContact CB-CD2 4.41Å; L782-F839 HydrophobicContact CB-CE1 4.42Å; L782-F839 HydrophobicContact CB-CE2 4.03Å; L782-F839 HydrophobicContact CB-CZ 4.04Å; N783-F839 HydrophobicContact CB-CB 4.1Å; A786-F839 HydrophobicContact CB-CD2 3.76Å; A786-F839 HydrophobicContact CB-CE2 3.79Å; W798-F839 HydrophobicContact CE3-CE2 4.16Å; W798-F839 HydrophobicContact CE3-CZ 4.11Å; W798-F839 AromaticContact CH2-CE2 3.94Å; W798-F839 HydrophobicContact CH2-CE2 3.94Å; W798-F839 HydrophobicContact CH2-CZ 4.48Å; W798-F839 AromaticContact CZ3-CE2 3.48Å; W798-F839 HydrophobicContact CZ3-CE2 3.48Å; W798-F839 VanDerWaalsContact CZ3-CE2 3.48Å; W798-F839 AromaticContact CZ3-CZ 3.61Å; W798-F839 HydrophobicContact CZ3-CZ 3.61Å; L816-F839 HydrophobicContact CD1-CD1 3.71Å; L816-F839 HydrophobicContact CD1-CE1 3.69Å; I835-F839 WeakPolarHBondContact O-CB 3.37Å; I835-F839 PolarHBondContact O-N 3.49Å; T836-F839 PolarHBondContact O-N 3.19Å; F839-G841 VanDerWaalsContact C-N 3.31Å; F839-G841 PolarHBondContact O-N 3.3Å; F839-R842 PolarHBondContact O-N 3.34Å; F839-L843 HydrophobicContact CE1-CD2 4.25Å; F839-L843 HydrophobicContact CZ-CD2 4.3Å; F839-L843 WeakPolarHBondContact O-CB 3.24Å; F839-L843 PolarHBondContact O-N 3.12Å |
| 840 | I | 88.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 176.1 | -71.2 | 166.3 | 0 | 0 | 0 | 110.7 | I813 L816 L817 T836 L837 R842 L843 L844 L879 | I813-I840 HydrophobicContact CG2-CG1 4.35Å; I813-I840 HydrophobicContact CG2-CG2 3.61Å; L816-I840 HydrophobicContact CB-CD1 4.02Å; L816-I840 HydrophobicContact CB-CG1 4.3Å; L816-I840 HydrophobicContact CD1-CG1 4.16Å; L817-I840 HydrophobicContact CD2-CD1 3.85Å; L817-I840 HydrophobicContact CG-CD1 4.05Å; T836-I840 HydrophobicContact CG2-CD1 3.85Å; T836-I840 HydrophobicContact CG2-CG1 4.44Å; T836-I840 WeakPolarHBondContact O-CB 3.49Å; T836-I840 VanDerWaalsContact O-CG1 3.24Å; T836-I840 WeakPolarHBondContact O-CG1 3.35Å; T836-I840 PolarHBondContact O-N 3.39Å; L837-I840 PolarHBondContact O-N 3.41Å; I840-R842 PolarHBondContact O-N 3.47Å; I840-L843 PolarHBondContact O-N 3.1Å; I840-L844 WeakPolarHBondContact O-CB 3.31Å; I840-L844 PolarHBondContact O-N 3.44Å; I840-L879 HydrophobicContact CG2-CD1 3.81Å; I840-L879 HydrophobicContact CG2-CD2 3.83Å; I840-L879 HydrophobicContact CG2-CG 4.44Å |
| 841 | G | 83.3 | Confident | 81.2 | Confident | 2 Ų | 2 | 15 Ų | 15 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.4 | -47.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L837 T838 F839 L843 L844 A845 V991 | L837-G841 PolarHBondContact O-N 3.48Å; T838-G841 PolarHBondContact O-N 3.27Å; F839-G841 VanDerWaalsContact C-N 3.31Å; F839-G841 PolarHBondContact O-N 3.3Å; G841-L843 PolarHBondContact O-N 3.2Å; G841-L844 PolarHBondContact O-N 2.94Å; G841-A845 PolarHBondContact O-N 3.4Å; G841-A845 VanDerWaalsContact O-N 3.12Å; G841-V991 WeakPolarHBondContact O-CG1 3.38Å |
| 842 | R | 84.1 | Confident | 80.5 | Confident | 58 Ų | 58 | 13.7 Ų | 13.7 | 22% | 0.219 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 178.1 | -69 | 171.6 | 178.7 | 171.6 | -9.1 | 112.9 | N783 E787 T838 F839 I840 G846 | N783-R842 PolarHBondContact O-NH1 2.92Å; N783-R842 PolarHBondContact OD1-NH1 3.36Å; E787-R842 IonicContact OE2-CZ 2.77Å; E787-R842 IonicContact OE2-NH1 3.01Å; E787-R842 PolarHBondContact OE2-NH1 2.92Å; E787-R842 IonicContact OE2-NH2 4Å; E787-R842 PolarHBondContact OE2-NH2 2.8Å; T838-R842 WeakPolarHBondContact O-CG 3.48Å; T838-R842 PolarHBondContact O-N 2.95Å; T838-R842 VanDerWaalsContact O-N 3.13Å; F839-R842 PolarHBondContact O-N 3.34Å; I840-R842 PolarHBondContact O-N 3.47Å; R842-G846 PolarHBondContact O-N 2.84Å |
| 843 | L | 85.3 | Confident | 79.5 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.5 | -41.6 | 178.5 | -172.2 | 61.9 | 0 | 0 | 0 | 111.7 | P791 W798 V800 A809 I813 F839 I840 G841 A845 G846 C847 | P791-L843 HydrophobicContact CB-CD1 4.25Å; P791-L843 HydrophobicContact CG-CD1 4.28Å; W798-L843 HydrophobicContact CB-CD1 4Å; V800-L843 HydrophobicContact CG2-CD1 3.94Å; A809-L843 HydrophobicContact CB-CD1 4.31Å; A809-L843 HydrophobicContact CB-CD2 4.43Å; A809-L843 HydrophobicContact CB-CG 4.41Å; I813-L843 HydrophobicContact CD1-CD2 4.21Å; I813-L843 HydrophobicContact CD1-CG 4.24Å; I813-L843 HydrophobicContact CG1-CD2 3.71Å; I813-L843 HydrophobicContact CG1-CG 4.28Å; F839-L843 HydrophobicContact CE1-CD2 4.25Å; F839-L843 HydrophobicContact CZ-CD2 4.3Å; F839-L843 WeakPolarHBondContact O-CB 3.24Å; F839-L843 PolarHBondContact O-N 3.12Å; I840-L843 PolarHBondContact O-N 3.1Å; G841-L843 PolarHBondContact O-N 3.2Å; L843-A845 VanDerWaalsContact C-N 3.31Å; L843-A845 PolarHBondContact O-N 3.26Å; L843-G846 PolarHBondContact O-N 3.37Å; L843-G846 VanDerWaalsContact O-N 3.13Å; L843-C847 PolarHBondContact O-N 3.25Å; L843-C847 PolarHBondContact O-SG 3.11Å; L843-C847 VanDerWaalsContact O-SG 3.36Å |
| 844 | L | 84.1 | Confident | 78 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 176.6 | -174.1 | 71.4 | 0 | 0 | 0 | 111.7 | I813 I840 G841 G846 C847 I848 L872 V875 L879 V992 | I813-L844 HydrophobicContact CD1-CB 4.42Å; I813-L844 HydrophobicContact CD1-CD1 4.37Å; I840-L844 WeakPolarHBondContact O-CB 3.31Å; I840-L844 PolarHBondContact O-N 3.44Å; G841-L844 PolarHBondContact O-N 2.94Å; L844-G846 VanDerWaalsContact C-N 3.27Å; L844-G846 PolarHBondContact O-N 3.42Å; L844-C847 WeakPolarHBondContact O-CB 3.26Å; L844-C847 PolarHBondContact O-N 3.16Å; L844-C847 VanDerWaalsContact O-N 3.08Å; L844-I848 HydrophobicContact CD2-CD1 4.47Å; L844-I848 HydrophobicContact CG-CD1 4.03Å; L844-I848 WeakPolarHBondContact O-CD1 3.32Å; L844-I848 WeakPolarHBondContact O-CG1 2.9Å; L844-I848 PolarHBondContact O-N 3.42Å; L844-L872 HydrophobicContact CD1-CD1 3.94Å; L844-V875 HydrophobicContact CD1-CG1 4.11Å; L844-L879 HydrophobicContact CD2-CD1 3.84Å; L844-V992 HydrophobicContact CD2-CG2 3.61Å |
| 845 | A | 77.5 | Confident | 76.3 | Confident | 11 Ų | 11 | 23.1 Ų | 23.1 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.2 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L731 V792 G841 L843 I848 E849 V991 | L731-A845 HydrophobicContact CD2-CB 3.72Å; V792-A845 HydrophobicContact CG2-CB 4Å; G841-A845 PolarHBondContact O-N 3.4Å; G841-A845 VanDerWaalsContact O-N 3.12Å; L843-A845 VanDerWaalsContact C-N 3.31Å; L843-A845 PolarHBondContact O-N 3.26Å; A845-I848 PolarHBondContact O-N 3.33Å; A845-E849 PolarHBondContact O-N 3.31Å; A845-V991 HydrophobicContact CB-CG1 4.01Å |
| 846 | G | 74.6 | Confident | 74.4 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V800 R842 L843 L844 I848 E849 A850 | V800-G846 VanDerWaalsContact CG1-O 3.22Å; V800-G846 WeakPolarHBondContact CG1-O 3.33Å; R842-G846 PolarHBondContact O-N 2.84Å; L843-G846 PolarHBondContact O-N 3.37Å; L843-G846 VanDerWaalsContact O-N 3.13Å; L844-G846 VanDerWaalsContact C-N 3.27Å; L844-G846 PolarHBondContact O-N 3.42Å; G846-I848 VanDerWaalsContact C-N 3.27Å; G846-I848 PolarHBondContact O-N 3.11Å; G846-E849 PolarHBondContact O-N 3.36Å; G846-E849 VanDerWaalsContact O-N 3.15Å; G846-A850 PolarHBondContact O-N 2.93Å |
| 847 | C | 78.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -37.7 | 178.1 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | V800 I807 L843 L844 N851 L872 | V800-C847 VanDerWaalsContact CG1-CA 3.44Å; V800-C847 HydrophobicContact CG1-CB 4.33Å; I807-C847 HydrophobicContact CG2-CB 4.27Å; L843-C847 PolarHBondContact O-N 3.25Å; L843-C847 PolarHBondContact O-SG 3.11Å; L843-C847 VanDerWaalsContact O-SG 3.36Å; L844-C847 WeakPolarHBondContact O-CB 3.26Å; L844-C847 PolarHBondContact O-N 3.16Å; L844-C847 VanDerWaalsContact O-N 3.08Å; C847-N851 PolarHBondContact O-N 3.2Å; C847-L872 HydrophobicContact CB-CD1 3.52Å |
| 848 | I | 75 | Confident | 70.2 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 175.3 | -70.5 | 157.3 | 0 | 0 | 0 | 110.4 | L844 A845 G846 N851 M852 I866 L872 A995 L1039 | L844-I848 HydrophobicContact CD2-CD1 4.47Å; L844-I848 HydrophobicContact CG-CD1 4.03Å; L844-I848 WeakPolarHBondContact O-CD1 3.32Å; L844-I848 WeakPolarHBondContact O-CG1 2.9Å; L844-I848 PolarHBondContact O-N 3.42Å; A845-I848 PolarHBondContact O-N 3.33Å; G846-I848 VanDerWaalsContact C-N 3.27Å; G846-I848 PolarHBondContact O-N 3.11Å; I848-N851 PolarHBondContact O-N 3.08Å; I848-M852 WeakPolarHBondContact O-CG 3.26Å; I848-M852 PolarHBondContact O-N 3.43Å; I848-I866 HydrophobicContact CG2-CG2 3.69Å; I848-L872 HydrophobicContact CG1-CD2 4.37Å; I848-A995 HydrophobicContact CD1-CB 3.5Å; I848-A995 HydrophobicContact CG1-CB 3.89Å; I848-A995 HydrophobicContact CG2-CB 4.02Å; I848-L1039 HydrophobicContact CG2-CD2 4.45Å |
| 849 | E | 70.1 | Confident | 68.2 | Low | 43 Ų | 43 | 41.4 Ų | 41.4 | 20% | 0.201 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 180 | -172.1 | 177.3 | -163.7 | 0 | 0 | 113.3 | V792 A845 G846 N851 M852 N853 | V792-E849 WeakPolarHBondContact CA-OE2 3.34Å; V792-E849 VanDerWaalsContact CB-OE2 3.29Å; V792-E849 WeakPolarHBondContact CB-OE2 3.21Å; V792-E849 WeakPolarHBondContact CG1-OE2 3.24Å; A845-E849 PolarHBondContact O-N 3.31Å; G846-E849 PolarHBondContact O-N 3.36Å; G846-E849 VanDerWaalsContact O-N 3.15Å; E849-N851 VanDerWaalsContact C-N 3.31Å; E849-N851 PolarHBondContact O-N 3.37Å; E849-M852 WeakPolarHBondContact O-CA 3.34Å; E849-M852 VanDerWaalsContact O-CB 3.24Å; E849-M852 WeakPolarHBondContact O-CB 3.25Å; E849-M852 PolarHBondContact O-N 3.14Å; E849-N853 PolarHBondContact O-N 3.33Å |
| 850 | A | 68.3 | Low | 65.9 | Low | 14 Ų | 14 | 47.9 Ų | 47.9 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V800 G846 M852 | V800-A850 HydrophobicContact CG1-CB 3.46Å; V800-A850 VanDerWaalsContact CG1-CB 3.46Å; V800-A850 WeakPolarHBondContact O-CB 3.43Å; G846-A850 PolarHBondContact O-N 2.93Å; A850-M852 PolarHBondContact O-N 3.43Å |
| 851 | N | 70.5 | Confident | 63.6 | Low | 11 Ų | 11 | 55.1 Ų | 55.1 | 6% | 0.059 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.7 | -26.2 | 173.9 | -161.8 | 38.6 | 0 | 0 | 0 | 111.7 | K802 I807 C847 I848 E849 I866 | K802-N851 PolarHBondContact NZ-OD1 2.85Å; I807-N851 HydrophobicContact CD1-CB 4.27Å; C847-N851 PolarHBondContact O-N 3.2Å; I848-N851 PolarHBondContact O-N 3.08Å; E849-N851 VanDerWaalsContact C-N 3.31Å; E849-N851 PolarHBondContact O-N 3.37Å; N851-I866 PolarHBondContact ND2-O 3.05Å |
| 852 | M | 63.2 | Low | 61.8 | Low | 22 Ų | 22 | 65.9 Ų | 65.9 | 11% | 0.108 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72.6 | -37.3 | 178.9 | -71.1 | -110.6 | -72.9 | 0 | 0 | 113.4 | I848 E849 A850 S855 I866 L1039 R1043 | I848-M852 WeakPolarHBondContact O-CG 3.26Å; I848-M852 PolarHBondContact O-N 3.43Å; E849-M852 WeakPolarHBondContact O-CA 3.34Å; E849-M852 VanDerWaalsContact O-CB 3.24Å; E849-M852 WeakPolarHBondContact O-CB 3.25Å; E849-M852 PolarHBondContact O-N 3.14Å; A850-M852 PolarHBondContact O-N 3.43Å; M852-S855 PolarHBondContact O-OG 3.21Å; M852-I866 HydrophobicContact CE-CD1 4.41Å; M852-I866 HydrophobicContact CG-CG2 4.4Å; M852-I866 HydrophobicContact SD-CD1 3.49Å; M852-I866 WeakPolarHBondContact SD-CD1 3.48Å; M852-I866 HydrophobicContact SD-CG1 3.92Å; M852-I866 HydrophobicContact SD-CG2 4.4Å; M852-L1039 HydrophobicContact CE-CD1 4.01Å; M852-L1039 HydrophobicContact CE-CD2 3.83Å; M852-L1039 HydrophobicContact CE-CG 3.89Å; M852-R1043 VanDerWaalsContact C-NH1 3.33Å; M852-R1043 VanDerWaalsContact O-CZ 3.26Å; M852-R1043 PolarHBondContact O-NH1 3.08Å; M852-R1043 PolarHBondContact O-NH2 2.7Å; M852-R1043 WeakPolarHBondContact SD-CD 3.33Å; M852-R1043 PolarHBondContact SD-NH1 3.27Å |
| 853 | N | 59.3 | Low | 60.1 | Low | 110 Ų | 110 | 70.3 Ų | 70.3 | 59% | 0.588 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -80 | -16.1 | -171.7 | -72 | -21.3 | 0 | 0 | 0 | 115 | E849 | E849-N853 PolarHBondContact O-N 3.33Å |
| 854 | N | 54.1 | Low | 58.4 | Low | 100 Ų | 100 | 72.8 Ų | 72.8 | 54% | 0.535 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 0.8 | -173.8 | -80.9 | -11.4 | 0 | 0 | 0 | 115.6 | G856 | N854-G856 PolarHBondContact O-N 2.64Š|
| 855 | S | 51.8 | Low | 57.2 | Low | 69 Ų | 69 | 74.3 Ų | 74.3 | 48% | 0.483 | 45% | 0.447 | S | S | . | . | trans | -78.6 | 21.9 | -177.8 | 62.2 | 0 | 0 | 0 | 0 | 114.8 | M852 | M852-S855 PolarHBondContact O-OG 3.21Š| ||
| 856 | G | 45 | Very low | 56.6 | Low | 75 Ų | 75 | 74.9 Ų | 74.9 | 77% | 0.773 | 45% | 0.449 | S | S | * | . | trans | -92.6 | 9.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | N854 | N854-G856 PolarHBondContact O-N 2.64Š| ||
| 857 | S | 44.4 | Very low | 56.4 | Low | 116 Ų | 116 | 75.5 Ų | 75.5 | 81% | 0.811 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -133.3 | 8.4 | -169.9 | 65.4 | 0 | 0 | 0 | 0 | 118.1 | ||
| 858 | S | 41.9 | Very low | 55.8 | Low | 94 Ų | 94 | 79.1 Ų | 79.1 | 66% | 0.657 | 48% | 0.477 | S | S | * | . | trans | -134.2 | 117.2 | 174.5 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | D860 | S858-D860 VanDerWaalsContact C-N 3.26Å; S858-D860 PolarHBondContact O-N 3.35Å | ||
| 859 | T | 43.5 | Very low | 55.8 | Low | 122 Ų | 122 | 79.1 Ų | 79.1 | 75% | 0.748 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 1.2 | -173.3 | 43.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 860 | D | 40.4 | Very low | 56 | Low | 141 Ų | 141 | 80.8 Ų | 80.8 | 75% | 0.754 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | -1.8 | -160.6 | -75.2 | -6.6 | 0 | 0 | 0 | 117.9 | S858 | S858-D860 VanDerWaalsContact C-N 3.26Å; S858-D860 PolarHBondContact O-N 3.35Å |
| 861 | D | 40.9 | Very low | 56.4 | Low | 153 Ų | 153 | 82.8 Ų | 82.8 | 82% | 0.818 | 51% | 0.506 | S | S | * | . | trans | -112.8 | 89.9 | 172.8 | -86.3 | -30.1 | 0 | 0 | 0 | 111.9 | D863 | D861-D863 VanDerWaalsContact C-N 3.32Å; D861-D863 PolarHBondContact O-N 2.81Å | ||
| 862 | R | 45.6 | Very low | 56.9 | Low | 228 Ų | 228 | 82.3 Ų | 82.3 | 86% | 0.86 | 50% | 0.503 | S | S | * | . | trans | -79.8 | -2.2 | -178 | -68.7 | -172.4 | -175.6 | -172.4 | 0.7 | 115.1 | ||||
| 863 | D | 47 | Very low | 57.8 | Low | 151 Ų | 151 | 82.6 Ų | 82.6 | 81% | 0.807 | 51% | 0.507 | S | S | * | . | trans | -117.7 | -3.2 | -169.6 | -74.9 | -26.8 | 0 | 0 | 0 | 116.3 | D861 G865 | D861-D863 VanDerWaalsContact C-N 3.32Å; D861-D863 PolarHBondContact O-N 2.81Å; D863-G865 PolarHBondContact O-N 2.94Å | ||
| 864 | G | 51 | Low | 58.9 | Low | 55 Ų | 55 | 79.2 Ų | 79.2 | 57% | 0.567 | 49% | 0.494 | S | S | * | . | trans | -75.7 | 109.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 865 | G | 58.9 | Low | 60.4 | Low | 34 Ų | 34 | 74.4 Ų | 74.4 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | trans | -62.9 | 171.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D863 L867 S868 | D863-G865 PolarHBondContact O-N 2.94Å; G865-L867 PolarHBondContact O-N 3.3Å; G865-S868 VanDerWaalsContact O-CB 3.27Å; G865-S868 WeakPolarHBondContact O-CB 3.48Å; G865-S868 PolarHBondContact O-N 2.57Å; G865-S868 PolarHBondContact O-OG 3.49Å | ||
| 866 | I | 65.2 | Low | 62 | Low | 23 Ų | 23 | 71.2 Ų | 71.2 | 12% | 0.118 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -34.1 | 179.9 | -67.6 | -169.6 | 0 | 0 | 0 | 112.9 | I848 N851 M852 S868 A995 L1039 | I848-I866 HydrophobicContact CG2-CG2 3.69Å; N851-I866 PolarHBondContact ND2-O 3.05Å; M852-I866 HydrophobicContact CE-CD1 4.41Å; M852-I866 HydrophobicContact CG-CG2 4.4Å; M852-I866 HydrophobicContact SD-CD1 3.49Å; M852-I866 WeakPolarHBondContact SD-CD1 3.48Å; M852-I866 HydrophobicContact SD-CG1 3.92Å; M852-I866 HydrophobicContact SD-CG2 4.4Å; I866-S868 VanDerWaalsContact C-N 3.3Å; I866-S868 PolarHBondContact O-N 3.03Å; I866-A995 HydrophobicContact CG2-CB 4.29Å; I866-L1039 HydrophobicContact CD1-CG 4.18Å |
| 867 | L | 69.9 | Low | 63.8 | Low | 14 Ų | 14 | 70.8 Ų | 70.8 | 7% | 0.073 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 29.6 | 177.9 | -61.1 | 175.1 | 0 | 0 | 0 | 113.6 | G865 C869 L872 A876 A995 Y1000 | G865-L867 PolarHBondContact O-N 3.3Å; L867-C869 PolarHBondContact O-N 3.33Å; L867-L872 HydrophobicContact CD2-CD2 3.53Å; L867-L872 HydrophobicContact CD2-CG 3.98Å; L867-A876 HydrophobicContact CD1-CB 4.17Å; L867-A995 HydrophobicContact CD2-CB 4.27Å; L867-A995 HydrophobicContact CG-CB 4.5Å; L867-Y1000 HydrophobicContact CD1-CE2 4.27Å |
| 868 | S | 66.7 | Low | 65.7 | Low | 76 Ų | 76 | 69.5 Ų | 69.5 | 53% | 0.531 | 41% | 0.411 | S | S | . | . | trans | -62.3 | -21.7 | -177.5 | 55.1 | 0 | 0 | 0 | 0 | 114.8 | G865 I866 | G865-S868 VanDerWaalsContact O-CB 3.27Å; G865-S868 WeakPolarHBondContact O-CB 3.48Å; G865-S868 PolarHBondContact O-N 2.57Å; G865-S868 PolarHBondContact O-OG 3.49Å; I866-S868 VanDerWaalsContact C-N 3.3Å; I866-S868 PolarHBondContact O-N 3.03Å | ||
| 869 | C | 73.9 | Confident | 67.8 | Low | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -73.2 | 123.9 | 174.6 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | L867 E871 L872 S873 | L867-C869 PolarHBondContact O-N 3.33Å; C869-E871 VanDerWaalsContact C-N 3.31Å; C869-E871 PolarHBondContact O-N 3.45Å; C869-L872 HydrophobicContact CB-CB 3.98Å; C869-L872 PolarHBondContact O-N 3.07Å; C869-L872 VanDerWaalsContact O-N 3.15Å; C869-S873 PolarHBondContact O-N 2.64Å |
| 870 | A | 75 | Confident | 69.8 | Low | 77 Ų | 77 | 59.3 Ų | 59.3 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -56.5 | -41.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | S873 A874 | A870-S873 PolarHBondContact O-N 3.32Å; A870-S873 PolarHBondContact O-OG 3.1Å; A870-A874 PolarHBondContact O-N 3.5Å |
| 871 | E | 75.9 | Confident | 71.8 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 27% | 0.266 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 178.7 | -65.7 | 178.9 | 175.3 | 0 | 0 | 112.2 | Q806 C810 C869 S873 A874 V875 | Q806-E871 WeakPolarHBondContact CG-OE1 3.35Å; Q806-E871 PolarHBondContact NE2-OE1 3.28Å; C810-E871 HydrophobicContact CB-CB 4.31Å; C869-E871 VanDerWaalsContact C-N 3.31Å; C869-E871 PolarHBondContact O-N 3.45Å; E871-S873 VanDerWaalsContact C-N 3.34Å; E871-A874 PolarHBondContact O-N 2.73Å; E871-V875 WeakPolarHBondContact O-CG2 3.4Å; E871-V875 PolarHBondContact O-N 3.37Å; E871-V875 VanDerWaalsContact O-N 3.08Å |
| 872 | L | 80.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.7 | -38 | 177.8 | -157.8 | 80.7 | 0 | 0 | 0 | 111 | I807 L844 C847 I848 L867 C869 V875 A876 | I807-L872 HydrophobicContact CD1-CD1 4.24Å; L844-L872 HydrophobicContact CD1-CD1 3.94Å; C847-L872 HydrophobicContact CB-CD1 3.52Å; I848-L872 HydrophobicContact CG1-CD2 4.37Å; L867-L872 HydrophobicContact CD2-CD2 3.53Å; L867-L872 HydrophobicContact CD2-CG 3.98Å; C869-L872 HydrophobicContact CB-CB 3.98Å; C869-L872 PolarHBondContact O-N 3.07Å; C869-L872 VanDerWaalsContact O-N 3.15Å; L872-V875 PolarHBondContact O-N 3.24Å; L872-A876 WeakPolarHBondContact O-CB 3.42Å; L872-A876 PolarHBondContact O-N 3.1Å |
| 873 | S | 82.4 | Confident | 75.9 | Confident | 28 Ų | 28 | 36.7 Ų | 36.7 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 175.5 | 83.8 | 0 | 0 | 0 | 0 | 112.6 | C869 A870 E871 N877 | C869-S873 PolarHBondContact O-N 2.64Å; A870-S873 PolarHBondContact O-N 3.32Å; A870-S873 PolarHBondContact O-OG 3.1Å; E871-S873 VanDerWaalsContact C-N 3.34Å; S873-N877 PolarHBondContact O-N 2.77Å; S873-N877 VanDerWaalsContact O-N 3.14Å; S873-N877 PolarHBondContact O-ND2 3.43Å |
| 874 | A | 82.6 | Confident | 77.7 | Confident | 39 Ų | 39 | 29.6 Ų | 29.6 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67 | -48.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | A870 E871 A876 N877 D878 | A870-A874 PolarHBondContact O-N 3.5Å; E871-A874 PolarHBondContact O-N 2.73Å; A874-A876 VanDerWaalsContact C-N 3.33Å; A874-A876 PolarHBondContact O-N 3.03Å; A874-N877 PolarHBondContact O-N 3.48Å; A874-D878 PolarHBondContact O-N 3.29Å |
| 875 | V | 86.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | I813 Q814 L844 E871 L872 N877 D878 L879 | I813-V875 HydrophobicContact CB-CG1 4.39Å; I813-V875 HydrophobicContact CD1-CG1 4.39Å; I813-V875 HydrophobicContact CG2-CG1 3.58Å; Q814-V875 HydrophobicContact CG-CG2 3.97Å; L844-V875 HydrophobicContact CD1-CG1 4.11Å; E871-V875 WeakPolarHBondContact O-CG2 3.4Å; E871-V875 PolarHBondContact O-N 3.37Å; E871-V875 VanDerWaalsContact O-N 3.08Å; L872-V875 PolarHBondContact O-N 3.24Å; V875-N877 PolarHBondContact O-N 3.01Å; V875-D878 PolarHBondContact O-N 2.92Å; V875-L879 HydrophobicContact CG1-CD1 3.88Å; V875-L879 HydrophobicContact CG1-CG 4.46Å; V875-L879 WeakPolarHBondContact O-CB 3.41Å; V875-L879 WeakPolarHBondContact O-CG 3.27Å; V875-L879 PolarHBondContact O-N 3.48Å |
| 876 | A | 84.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L867 L872 A874 L879 I880 V992 | L867-A876 HydrophobicContact CD1-CB 4.17Å; L872-A876 WeakPolarHBondContact O-CB 3.42Å; L872-A876 PolarHBondContact O-N 3.1Å; A874-A876 VanDerWaalsContact C-N 3.33Å; A874-A876 PolarHBondContact O-N 3.03Å; A876-L879 PolarHBondContact O-N 3.44Å; A876-I880 VanDerWaalsContact O-CG1 3.3Å; A876-I880 WeakPolarHBondContact O-CG1 3.49Å; A876-I880 PolarHBondContact O-N 3.12Å; A876-V992 HydrophobicContact CB-CG1 4.18Å |
| 877 | N | 83.5 | Confident | 81.6 | Confident | 66 Ų | 66 | 25.3 Ų | 25.3 | 35% | 0.353 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.2 | -81.1 | -40.6 | 0 | 0 | 0 | 112.5 | S873 A874 V875 L879 I880 A881 Y1000 | S873-N877 PolarHBondContact O-N 2.77Å; S873-N877 VanDerWaalsContact O-N 3.14Å; S873-N877 PolarHBondContact O-ND2 3.43Å; A874-N877 PolarHBondContact O-N 3.48Å; V875-N877 PolarHBondContact O-N 3.01Å; N877-L879 VanDerWaalsContact C-N 3.32Å; N877-L879 PolarHBondContact O-N 3.42Å; N877-I880 PolarHBondContact O-N 3.48Å; N877-A881 PolarHBondContact O-N 3.26Å; N877-A881 VanDerWaalsContact O-N 3.1Å; N877-Y1000 WeakPolarHBondContact OD1-CD1 3.17Å |
| 878 | D | 83.4 | Confident | 82.3 | Confident | 90 Ų | 90 | 27 Ų | 27 | 48% | 0.481 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.4 | -40 | 178 | -71.8 | -21.4 | 0 | 0 | 0 | 111.5 | A874 V875 A881 C882 | A874-D878 PolarHBondContact O-N 3.29Å; V875-D878 PolarHBondContact O-N 2.92Å; D878-A881 PolarHBondContact O-N 2.94Å; D878-C882 VanDerWaalsContact O-CB 3.31Å; D878-C882 WeakPolarHBondContact O-CB 3.22Å; D878-C882 PolarHBondContact O-N 2.9Å |
| 879 | L | 86.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.7 | -41.5 | 177.9 | -73.3 | 170.4 | 0 | 0 | 0 | 113.1 | L817 I840 L844 V875 A876 N877 A881 C882 C883 V992 | L817-L879 HydrophobicContact CD1-CD2 4.39Å; L817-L879 HydrophobicContact CD2-CD2 4.02Å; I840-L879 HydrophobicContact CG2-CD1 3.81Å; I840-L879 HydrophobicContact CG2-CD2 3.83Å; I840-L879 HydrophobicContact CG2-CG 4.44Å; L844-L879 HydrophobicContact CD2-CD1 3.84Å; V875-L879 HydrophobicContact CG1-CD1 3.88Å; V875-L879 HydrophobicContact CG1-CG 4.46Å; V875-L879 WeakPolarHBondContact O-CB 3.41Å; V875-L879 WeakPolarHBondContact O-CG 3.27Å; V875-L879 PolarHBondContact O-N 3.48Å; A876-L879 PolarHBondContact O-N 3.44Å; N877-L879 VanDerWaalsContact C-N 3.32Å; N877-L879 PolarHBondContact O-N 3.42Å; L879-A881 VanDerWaalsContact C-N 3.3Å; L879-A881 PolarHBondContact O-N 3.45Å; L879-C882 PolarHBondContact O-N 2.9Å; L879-C883 WeakPolarHBondContact O-CB 3.36Å; L879-C883 PolarHBondContact O-N 2.98Å; L879-C883 PolarHBondContact O-SG 3.02Å; L879-C883 VanDerWaalsContact O-SG 3.36Å; L879-V992 HydrophobicContact CB-CG2 4.09Å; L879-V992 HydrophobicContact CD1-CG2 4.13Å |
| 880 | I | 85.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.3 | -66.9 | 167.3 | 0 | 0 | 0 | 110.3 | A876 N877 S884 F989 V992 Y1004 | A876-I880 VanDerWaalsContact O-CG1 3.3Å; A876-I880 WeakPolarHBondContact O-CG1 3.49Å; A876-I880 PolarHBondContact O-N 3.12Å; N877-I880 PolarHBondContact O-N 3.48Å; I880-S884 WeakPolarHBondContact O-CB 3.04Å; I880-S884 PolarHBondContact O-N 3.43Å; I880-S884 VanDerWaalsContact O-N 3.09Å; I880-S884 PolarHBondContact O-OG 3.31Å; I880-F989 HydrophobicContact CB-CE2 4.5Å; I880-F989 HydrophobicContact CG1-CE2 4.15Å; I880-F989 HydrophobicContact CG2-CE2 4.12Å; I880-F989 HydrophobicContact CG2-CZ 4.41Å; I880-V992 HydrophobicContact CD1-CG1 3.98Å; I880-V992 HydrophobicContact CG1-CG1 3.76Å; I880-Y1004 HydrophobicContact CG2-CD2 3.7Å; I880-Y1004 HydrophobicContact CG2-CE2 3.75Å; I880-Y1004 HydrophobicContact CG2-CG 4.19Å |
| 881 | A | 82.7 | Confident | 84.4 | Confident | 27 Ų | 27 | 20.3 Ų | 20.3 | 22% | 0.223 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | N877 D878 L879 S884 Q885 | N877-A881 PolarHBondContact O-N 3.26Å; N877-A881 VanDerWaalsContact O-N 3.1Å; D878-A881 PolarHBondContact O-N 2.94Å; L879-A881 VanDerWaalsContact C-N 3.3Å; L879-A881 PolarHBondContact O-N 3.45Å; A881-S884 PolarHBondContact O-OG 2.9Å; A881-Q885 WeakPolarHBondContact O-CB 3.37Å; A881-Q885 WeakPolarHBondContact O-CG 3.4Å; A881-Q885 PolarHBondContact O-N 3.32Å; A881-Q885 VanDerWaalsContact O-N 3.1Å |
| 882 | C | 85.3 | Confident | 84.7 | Confident | 20 Ų | 20 | 18.5 Ų | 18.5 | 14% | 0.135 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.8 | -51.7 | 177.8 | -172.8 | 0 | 0 | 0 | 0 | 112 | D878 L879 S884 Q885 V886 | D878-C882 VanDerWaalsContact O-CB 3.31Å; D878-C882 WeakPolarHBondContact O-CB 3.22Å; D878-C882 PolarHBondContact O-N 2.9Å; L879-C882 PolarHBondContact O-N 2.9Å; C882-S884 PolarHBondContact O-N 3.32Å; C882-Q885 PolarHBondContact O-N 2.75Å; C882-V886 WeakPolarHBondContact O-CG2 3.46Å; C882-V886 PolarHBondContact O-N 3.39Å |
| 883 | C | 87.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | -178.7 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | L879 Q885 V886 M887 V985 F989 | L879-C883 WeakPolarHBondContact O-CB 3.36Å; L879-C883 PolarHBondContact O-N 2.98Å; L879-C883 PolarHBondContact O-SG 3.02Å; L879-C883 VanDerWaalsContact O-SG 3.36Å; C883-Q885 PolarHBondContact O-N 2.88Å; C883-V886 PolarHBondContact O-N 2.94Å; C883-M887 WeakPolarHBondContact O-CG 3.5Å; C883-M887 PolarHBondContact O-N 2.96Å; C883-V985 HydrophobicContact CB-CG1 3.79Å; C883-F989 HydrophobicContact CB-CB 4.03Å; C883-F989 HydrophobicContact CB-CD1 4.24Å; C883-F989 HydrophobicContact CB-CG 4.06Å |
| 884 | S | 83.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.2 | -36.9 | 177.8 | 58.9 | 0 | 0 | 0 | 0 | 112.7 | I880 A881 C882 Y888 | I880-S884 WeakPolarHBondContact O-CB 3.04Å; I880-S884 PolarHBondContact O-N 3.43Å; I880-S884 VanDerWaalsContact O-N 3.09Å; I880-S884 PolarHBondContact O-OG 3.31Å; A881-S884 PolarHBondContact O-OG 2.9Å; C882-S884 PolarHBondContact O-N 3.32Å; S884-Y888 WeakPolarHBondContact O-CB 3.4Å; S884-Y888 PolarHBondContact O-N 3.38Å |
| 885 | Q | 83.6 | Confident | 84.5 | Confident | 19 Ų | 19 | 20.5 Ų | 20.5 | 9% | 0.089 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 173.6 | -76.3 | 173.5 | 2.5 | 0 | 0 | 112.2 | A881 C882 C883 Y888 I889 R943 | A881-Q885 WeakPolarHBondContact O-CB 3.37Å; A881-Q885 WeakPolarHBondContact O-CG 3.4Å; A881-Q885 PolarHBondContact O-N 3.32Å; A881-Q885 VanDerWaalsContact O-N 3.1Å; C882-Q885 PolarHBondContact O-N 2.75Å; C883-Q885 PolarHBondContact O-N 2.88Å; Q885-Y888 WeakPolarHBondContact O-CB 3.08Å; Q885-Y888 PolarHBondContact O-N 3.49Å; Q885-I889 WeakPolarHBondContact O-CG1 3.44Å; Q885-I889 PolarHBondContact O-N 2.96Å; Q885-R943 PolarHBondContact NE2-O 3.41Å |
| 886 | V | 85.7 | Confident | 84 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.7 | -41.8 | 178.3 | -179 | 0 | 0 | 0 | 0 | 111.3 | W833 C882 C883 Y888 I889 Y890 L955 L981 V985 | W833-V886 HydrophobicContact CZ3-CG2 4.42Å; C882-V886 WeakPolarHBondContact O-CG2 3.46Å; C882-V886 PolarHBondContact O-N 3.39Å; C883-V886 PolarHBondContact O-N 2.94Å; V886-Y888 VanDerWaalsContact C-N 3.25Å; V886-Y888 PolarHBondContact O-N 3.44Å; V886-I889 WeakPolarHBondContact O-CB 3.38Å; V886-I889 PolarHBondContact O-N 3.44Å; V886-I889 VanDerWaalsContact O-N 3.12Å; V886-Y890 HydrophobicContact CG1-CD2 4.15Å; V886-Y890 HydrophobicContact CG1-CE2 4.02Å; V886-Y890 WeakPolarHBondContact O-CD2 3.45Å; V886-Y890 PolarHBondContact O-N 3.25Å; V886-Y890 VanDerWaalsContact O-N 3.15Å; V886-L955 HydrophobicContact CG2-CD2 4.35Å; V886-L981 HydrophobicContact CG1-CD2 4.24Å; V886-L981 HydrophobicContact CG1-CG 4.4Å; V886-V985 HydrophobicContact CB-CG1 4.49Å; V886-V985 HydrophobicContact CB-CG2 4.12Å; V886-V985 HydrophobicContact CG1-CG2 3.85Å |
| 887 | M | 87.6 | Confident | 83.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.9 | -38.9 | 172.7 | -71 | 178.6 | 71.3 | 0 | 0 | 111.8 | C883 I889 Y890 W891 L982 V985 F989 L1011 L1015 L1026 | C883-M887 WeakPolarHBondContact O-CG 3.5Å; C883-M887 PolarHBondContact O-N 2.96Å; M887-I889 VanDerWaalsContact C-N 3.34Å; M887-I889 PolarHBondContact O-N 3.31Å; M887-Y890 PolarHBondContact O-N 3.48Å; M887-W891 PolarHBondContact O-N 3.02Å; M887-W891 VanDerWaalsContact O-N 3.16Å; M887-L982 HydrophobicContact CG-CD1 4.1Å; M887-V985 HydrophobicContact CG-CG1 4.09Å; M887-F989 HydrophobicContact SD-CD1 4.03Å; M887-F989 HydrophobicContact SD-CE1 4.29Å; M887-L1011 HydrophobicContact CB-CD1 4.12Å; M887-L1011 HydrophobicContact CE-CB 4.19Å; M887-L1015 HydrophobicContact CB-CD1 4.09Å; M887-L1015 HydrophobicContact CE-CD1 4.1Å; M887-L1015 HydrophobicContact CG-CD1 4.45Å; M887-L1026 HydrophobicContact CE-CD2 4.08Å; M887-L1026 HydrophobicContact SD-CD2 4.28Å |
| 888 | Y | 85.3 | Confident | 82.7 | Confident | 48 Ų | 48 | 32.9 Ų | 32.9 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -36.6 | 175.9 | -167 | -107.4 | 0 | 0 | 0 | 112.7 | S884 Q885 V886 W891 H892 F946 L1011 | S884-Y888 WeakPolarHBondContact O-CB 3.4Å; S884-Y888 PolarHBondContact O-N 3.38Å; Q885-Y888 WeakPolarHBondContact O-CB 3.08Å; Q885-Y888 PolarHBondContact O-N 3.49Å; V886-Y888 VanDerWaalsContact C-N 3.25Å; V886-Y888 PolarHBondContact O-N 3.44Å; Y888-W891 HydrophobicContact CD2-CE3 4.41Å; Y888-W891 AromaticContact CE2-CE3 3.96Å; Y888-W891 HydrophobicContact CE2-CE3 3.96Å; Y888-W891 HydrophobicContact CE2-CZ3 4.08Å; Y888-W891 WeakPolarHBondContact O-CB 3.48Å; Y888-W891 PolarHBondContact O-N 3.3Å; Y888-H892 AromaticContact CD1-CD2 3.84Å; Y888-H892 AromaticContact CD1-NE2 3.89Å; Y888-H892 AromaticContact CE1-CD2 3.6Å; Y888-H892 AromaticContact CE1-NE2 3.15Å; Y888-H892 WeakPolarHBondContact CE1-NE2 3.32Å; Y888-H892 AromaticContact CZ-NE2 3.36Å; Y888-H892 PolarHBondContact O-CD2 3.32Å; Y888-H892 PolarHBondContact O-N 3.17Å; Y888-H892 PolarHBondContact OH-NE2 3.3Å; Y888-F946 AromaticContact CD1-CD1 3.91Å; Y888-F946 HydrophobicContact CD1-CD1 3.91Å; Y888-F946 AromaticContact CD1-CE1 3.77Å; Y888-F946 HydrophobicContact CD1-CE1 3.77Å; Y888-F946 HydrophobicContact CE1-CD1 4.17Å; Y888-F946 AromaticContact CE1-CE1 3.8Å; Y888-F946 HydrophobicContact CE1-CE1 3.8Å; Y888-L1011 HydrophobicContact CD2-CD2 4.13Å |
| 889 | I | 85.5 | Confident | 82 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | 173.6 | -68.7 | 165.7 | 0 | 0 | 0 | 111 | Q885 V886 M887 W891 H892 V893 F946 I952 Y956 L959 | Q885-I889 WeakPolarHBondContact O-CG1 3.44Å; Q885-I889 PolarHBondContact O-N 2.96Å; V886-I889 WeakPolarHBondContact O-CB 3.38Å; V886-I889 PolarHBondContact O-N 3.44Å; V886-I889 VanDerWaalsContact O-N 3.12Å; M887-I889 VanDerWaalsContact C-N 3.34Å; M887-I889 PolarHBondContact O-N 3.31Å; I889-W891 VanDerWaalsContact C-N 3.25Å; I889-W891 PolarHBondContact O-N 3.33Å; I889-H892 PolarHBondContact O-N 3.49Å; I889-H892 VanDerWaalsContact O-N 3.15Å; I889-V893 HydrophobicContact CG2-CG2 4.43Å; I889-V893 WeakPolarHBondContact O-CG2 3.2Å; I889-V893 PolarHBondContact O-N 2.96Å; I889-F946 HydrophobicContact CG1-CD2 4.35Å; I889-F946 HydrophobicContact CG1-CE2 4.47Å; I889-I952 HydrophobicContact CD1-CG2 3.33Å; I889-I952 HydrophobicContact CG1-CG2 4.43Å; I889-Y956 HydrophobicContact CG2-CD2 4.07Å; I889-L959 HydrophobicContact CG2-CD1 3.74Å |
| 890 | Y | 87.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.1 | -37.4 | 177.2 | -88.5 | -84 | 0 | 0 | 0 | 112.4 | V886 M887 V893 S894 L959 F978 L981 L982 | V886-Y890 HydrophobicContact CG1-CD2 4.15Å; V886-Y890 HydrophobicContact CG1-CE2 4.02Å; V886-Y890 WeakPolarHBondContact O-CD2 3.45Å; V886-Y890 PolarHBondContact O-N 3.25Å; V886-Y890 VanDerWaalsContact O-N 3.15Å; M887-Y890 PolarHBondContact O-N 3.48Å; Y890-V893 PolarHBondContact O-N 3.03Å; Y890-S894 WeakPolarHBondContact O-CB 3.49Å; Y890-S894 PolarHBondContact O-N 3.1Å; Y890-L959 HydrophobicContact CD2-CD1 4.48Å; Y890-L959 HydrophobicContact CE1-CD2 4.1Å; Y890-L959 HydrophobicContact CE2-CD1 4Å; Y890-L959 HydrophobicContact CE2-CD2 4.3Å; Y890-L959 WeakPolarHBondContact OH-CD2 3.44Å; Y890-F978 HydrophobicContact CD1-CE2 4.4Å; Y890-F978 HydrophobicContact CD1-CZ 4.04Å; Y890-F978 HydrophobicContact CE1-CD2 4.43Å; Y890-F978 HydrophobicContact CE1-CE1 4.39Å; Y890-F978 HydrophobicContact CE1-CE2 4.03Å; Y890-F978 HydrophobicContact CE1-CZ 4.01Å; Y890-F978 VanDerWaalsContact CE1-O 3.26Å; Y890-F978 WeakPolarHBondContact CE1-O 3.5Å; Y890-F978 PolarHBondContact OH-O 3.41Å; Y890-L981 HydrophobicContact CE2-CD2 4.48Å; Y890-L981 HydrophobicContact CE2-CG 4.5Å; Y890-L981 WeakPolarHBondContact OH-CB 3.48Å; Y890-L982 HydrophobicContact CD1-CB 4.43Å; Y890-L982 HydrophobicContact CD1-CD2 4.24Å; Y890-L982 HydrophobicContact CD2-CB 4.18Å; Y890-L982 HydrophobicContact CD2-CD1 3.79Å; Y890-L982 HydrophobicContact CD2-CG 4.42Å; Y890-L982 HydrophobicContact CE1-CB 4.05Å; Y890-L982 HydrophobicContact CE2-CB 3.78Å; Y890-L982 HydrophobicContact CE2-CD1 4.18Å; Y890-L982 HydrophobicContact CE2-CG 4.49Å; Y890-L982 HydrophobicContact CG-CB 4.48Å; Y890-L982 HydrophobicContact CG-CD1 4.1Å; Y890-L982 HydrophobicContact CG-CD2 4.29Å; Y890-L982 PolarHBondContact OH-N 3.2Å |
| 891 | W | 85.7 | Confident | 78.8 | Confident | 25 Ų | 25 | 39.8 Ų | 39.8 | 10% | 0.095 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.2 | 178 | 75.1 | 0 | 0 | 0 | 112.2 | M887 Y888 I889 V893 S894 N895 I897 F917 F1010 L1011 | M887-W891 PolarHBondContact O-N 3.02Å; M887-W891 VanDerWaalsContact O-N 3.16Å; Y888-W891 HydrophobicContact CD2-CE3 4.41Å; Y888-W891 AromaticContact CE2-CE3 3.96Å; Y888-W891 HydrophobicContact CE2-CE3 3.96Å; Y888-W891 HydrophobicContact CE2-CZ3 4.08Å; Y888-W891 WeakPolarHBondContact O-CB 3.48Å; Y888-W891 PolarHBondContact O-N 3.3Å; I889-W891 VanDerWaalsContact C-N 3.25Å; I889-W891 PolarHBondContact O-N 3.33Å; W891-V893 PolarHBondContact O-N 3.04Å; W891-S894 PolarHBondContact O-N 3.26Å; W891-N895 PolarHBondContact NE1-ND2 3.16Å; W891-N895 WeakPolarHBondContact O-CB 3.41Å; W891-N895 PolarHBondContact O-N 3.12Å; W891-I897 HydrophobicContact CD2-CD1 4.37Å; W891-I897 HydrophobicContact CE3-CD1 4.2Å; W891-I897 HydrophobicContact CH2-CD1 3.42Å; W891-I897 VanDerWaalsContact CH2-CD1 3.42Å; W891-I897 HydrophobicContact CZ2-CD1 3.6Å; W891-I897 HydrophobicContact CZ3-CD1 3.74Å; W891-F917 AromaticContact CH2-CZ 3.98Å; W891-F917 HydrophobicContact CH2-CZ 3.98Å; W891-F1010 HydrophobicContact CD2-CE1 4.44Å; W891-F1010 AromaticContact CE2-CE1 3.83Å; W891-F1010 AromaticContact CE2-CZ 3.95Å; W891-F1010 HydrophobicContact CZ2-CE1 4.01Å; W891-F1010 AromaticContact CZ2-CZ 3.9Å; W891-F1010 HydrophobicContact CZ2-CZ 3.9Å; W891-F1010 AromaticContact NE1-CE1 3.81Å; W891-F1010 AromaticContact NE1-CZ 3.79Å; W891-L1011 HydrophobicContact CB-CD2 3.84Å; W891-L1011 HydrophobicContact CG-CD2 4.23Å |
| 892 | H | 83.2 | Confident | 77 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 175.3 | -82.3 | -79.1 | 0 | 0 | 0 | 112.5 | Y888 I889 R896 I897 F946 Y956 | Y888-H892 AromaticContact CD1-CD2 3.84Å; Y888-H892 AromaticContact CD1-NE2 3.89Å; Y888-H892 AromaticContact CE1-CD2 3.6Å; Y888-H892 AromaticContact CE1-NE2 3.15Å; Y888-H892 WeakPolarHBondContact CE1-NE2 3.32Å; Y888-H892 AromaticContact CZ-NE2 3.36Å; Y888-H892 PolarHBondContact O-CD2 3.32Å; Y888-H892 PolarHBondContact O-N 3.17Å; Y888-H892 PolarHBondContact OH-NE2 3.3Å; I889-H892 PolarHBondContact O-N 3.49Å; I889-H892 VanDerWaalsContact O-N 3.15Å; H892-R896 WeakPolarHBondContact O-CA 3.44Å; H892-R896 PolarHBondContact O-N 3.28Å; H892-R896 VanDerWaalsContact O-N 3.08Å; H892-I897 PolarHBondContact O-N 2.96Å; H892-F946 AromaticContact CD2-CE1 3.95Å; H892-Y956 HydrophobicContact CB-CE2 4.16Å |
| 893 | V | 85.3 | Confident | 74.6 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 179.5 | 176 | 0 | 0 | 0 | 0 | 111.5 | I889 Y890 W891 R896 Y956 L959 R967 F978 | I889-V893 HydrophobicContact CG2-CG2 4.43Å; I889-V893 WeakPolarHBondContact O-CG2 3.2Å; I889-V893 PolarHBondContact O-N 2.96Å; Y890-V893 PolarHBondContact O-N 3.03Å; W891-V893 PolarHBondContact O-N 3.04Å; V893-R896 PolarHBondContact O-N 3.12Å; V893-Y956 HydrophobicContact CG2-CD2 3.95Å; V893-Y956 HydrophobicContact CG2-CE2 3.96Å; V893-L959 HydrophobicContact CG2-CB 4.33Å; V893-R967 PolarHBondContact O-NH2 3.47Å; V893-F978 HydrophobicContact CG1-CE2 3.86Å; V893-F978 HydrophobicContact CG1-CZ 3.94Å |
| 894 | S | 78.7 | Confident | 72 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 22% | 0.217 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 179.8 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | Y890 W891 R967 L1018 | Y890-S894 WeakPolarHBondContact O-CB 3.49Å; Y890-S894 PolarHBondContact O-N 3.1Å; W891-S894 PolarHBondContact O-N 3.26Å; S894-R967 PolarHBondContact O-NH2 2.74Å; S894-L1018 WeakPolarHBondContact OG-CD1 3.28Å |
| 895 | N | 77.8 | Confident | 69.7 | Low | 70 Ų | 70 | 59.1 Ų | 59.1 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 3.7 | -177.2 | -70.8 | -28.6 | 0 | 0 | 0 | 114.2 | W891 I897 E1014 | W891-N895 PolarHBondContact NE1-ND2 3.16Å; W891-N895 WeakPolarHBondContact O-CB 3.41Å; W891-N895 PolarHBondContact O-N 3.12Å; N895-I897 VanDerWaalsContact C-N 3.27Å; N895-I897 HydrophobicContact CB-CD1 3.93Å; N895-I897 HydrophobicContact CB-CG1 3.96Å; N895-I897 PolarHBondContact O-N 3.03Å; N895-E1014 PolarHBondContact ND2-OE2 2.86Å |
| 896 | R | 75.9 | Confident | 67.2 | Low | 166 Ų | 166 | 64.3 Ų | 64.3 | 63% | 0.626 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 37.7 | -179.3 | -56 | -174.8 | -177.6 | -160.4 | -1 | 113.5 | H892 V893 P898 | H892-R896 WeakPolarHBondContact O-CA 3.44Å; H892-R896 PolarHBondContact O-N 3.28Å; H892-R896 VanDerWaalsContact O-N 3.08Å; V893-R896 PolarHBondContact O-N 3.12Å; R896-P898 WeakPolarHBondContact O-CD 3.46Å |
| 897 | I | 72.4 | Confident | 64.7 | Low | 55 Ų | 55 | 72.8 Ų | 72.8 | 28% | 0.282 | 42% | 0.421 | S | S | . | . | trans | -83.2 | 119.1 | 179.4 | -58 | 171 | 0 | 0 | 0 | 108.1 | W891 H892 N895 | W891-I897 HydrophobicContact CD2-CD1 4.37Å; W891-I897 HydrophobicContact CE3-CD1 4.2Å; W891-I897 HydrophobicContact CH2-CD1 3.42Å; W891-I897 VanDerWaalsContact CH2-CD1 3.42Å; W891-I897 HydrophobicContact CZ2-CD1 3.6Å; W891-I897 HydrophobicContact CZ3-CD1 3.74Å; H892-I897 PolarHBondContact O-N 2.96Å; N895-I897 VanDerWaalsContact C-N 3.27Å; N895-I897 HydrophobicContact CB-CD1 3.93Å; N895-I897 HydrophobicContact CB-CG1 3.96Å; N895-I897 PolarHBondContact O-N 3.03Å | ||
| 898 | P | 68.3 | Low | 62.2 | Low | 105 Ų | 105 | 82.8 Ų | 82.8 | 68% | 0.682 | 47% | 0.465 | S | S | * | . | trans | -73.1 | 131.9 | 179.2 | 27.7 | -31.7 | 0 | 0 | 0 | 110.6 | R896 S900 | R896-P898 WeakPolarHBondContact O-CD 3.46Å; P898-S900 PolarHBondContact O-N 2.86Å | ||
| 899 | V | 67.7 | Low | 59.5 | Low | 42 Ų | 42 | 83.9 Ų | 83.9 | 26% | 0.255 | 49% | 0.49 | S | S | . | . | trans | -84.9 | 108.3 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | F946 P947 Y956 | V899-F946 HydrophobicContact CB-CZ 4.49Å; V899-F946 HydrophobicContact CG1-CE2 4.27Å; V899-F946 HydrophobicContact CG1-CZ 4.04Å; V899-F946 HydrophobicContact CG2-CE2 4.12Å; V899-F946 HydrophobicContact CG2-CZ 3.59Å; V899-P947 HydrophobicContact CG1-CB 4.48Å; V899-P947 HydrophobicContact CG1-CG 3.71Å; V899-Y956 HydrophobicContact CG2-CE1 4.15Å; V899-Y956 HydrophobicContact CG2-CE2 3.87Å | ||
| 900 | S | 56.9 | Low | 56.9 | Low | 96 Ų | 96 | 93.1 Ų | 93.1 | 67% | 0.671 | 53% | 0.534 | S | S | * | . | trans | -66.2 | 125.6 | 178.5 | -69.7 | 0 | 0 | 0 | 0 | 111 | P898 V902 | P898-S900 PolarHBondContact O-N 2.86Å; S900-V902 PolarHBondContact O-N 3.15Å | ||
| 901 | P | 49.2 | Very low | 54.1 | Low | 98 Ų | 98 | 99.2 Ų | 99.2 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | trans | -72 | 117.4 | 174.9 | 28.6 | -30.8 | 0 | 0 | 0 | 109.1 | S903 | P901-S903 PolarHBondContact O-N 3.15Å; P901-S903 VanDerWaalsContact O-N 3.1Å | ||
| 902 | V | 44.6 | Very low | 51.3 | Low | 134 Ų | 134 | 102.4 Ų | 102.4 | 81% | 0.812 | 61% | 0.608 | S | S | * | * | trans | -75.6 | 99.4 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | S900 | S900-V902 PolarHBondContact O-N 3.15Š| ||
| 903 | S | 35.5 | Very low | 48.7 | Very low | 97 Ų | 97 | 106.8 Ų | 106.8 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | trans | -106.6 | 118.1 | 169.6 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | P901 | P901-S903 PolarHBondContact O-N 3.15Å; P901-S903 VanDerWaalsContact O-N 3.1Å | ||
| 904 | S | 32.1 | Very low | 46.2 | Very low | 102 Ų | 102 | 111.7 Ų | 111.7 | 71% | 0.713 | 67% | 0.673 | S | S | * | * | trans | 70 | 130.9 | 161.9 | 69.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 905 | P | 35.9 | Very low | 44 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 79% | 0.792 | 71% | 0.709 | S | S | * | * | trans | -88.9 | 108.5 | 172.9 | 33.5 | -25.7 | 0 | 0 | 0 | 109.3 | ||||
| 906 | T | 31.3 | Very low | 41.8 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | -167.3 | 141.5 | 153.8 | 10.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 907 | M | 32.8 | Very low | 39.9 | Very low | 181 Ų | 181 | 121.3 Ų | 121.3 | 89% | 0.892 | 72% | 0.724 | S | S | * | * | trans | 80.5 | 122.6 | 165.5 | -64.7 | -107.9 | 82.5 | 0 | 0 | 119.3 | ||||
| 908 | K | 33.7 | Very low | 37.8 | Very low | 210 Ų | 210 | 122.5 Ų | 122.5 | 91% | 0.913 | 74% | 0.736 | S | S | * | * | trans | -69.3 | 142 | 175.7 | -71.5 | 173.6 | 173.4 | 175.7 | 0 | 111.3 | ||||
| 909 | G | 30.2 | Very low | 36.2 | Very low | 71 Ų | 71 | 123.3 Ų | 123.3 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | 112.2 | 89 | 147.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 910 | Q | 30.1 | Very low | 34.8 | Very low | 194 Ų | 194 | 129 Ų | 129 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | 175.8 | 143.6 | 114.8 | -94.6 | 176.9 | 1 | 0 | 0 | 109 | A912 | Q910-A912 PolarHBondContact O-N 3.21Š| |||
| 911 | S | 29.1 | Very low | 34.1 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -60.4 | 106.6 | -171.6 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 912 | A | 27.4 | Very low | 33.4 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -126.8 | 105.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q910 | Q910-A912 PolarHBondContact O-N 3.21Š| ||
| 913 | S | 28.1 | Very low | 32.9 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -57.7 | 125.5 | 175.2 | 39.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 914 | P | 32.6 | Very low | 33 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -71.6 | 133.3 | 164 | 31.3 | -28.8 | 0 | 0 | 0 | 107.2 | L916 | P914-L916 PolarHBondContact O-N 3.4Š| ||
| 915 | M | 32.7 | Very low | 33.2 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 97% | 0.97 | 77% | 0.767 | S | S | * | * | trans | -55.5 | 109.8 | 174.9 | -79.8 | -132.7 | 150.2 | 0 | 0 | 109.5 | ||||
| 916 | L | 31.8 | Very low | 33.3 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -68.6 | 133 | 177.2 | -81.1 | 146.9 | 0 | 0 | 0 | 109.3 | P914 S918 | P914-L916 PolarHBondContact O-N 3.4Å; L916-S918 PolarHBondContact O-N 3.39Å | ||
| 917 | F | 35.3 | Very low | 33.7 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 58% | 0.583 | 74% | 0.736 | S | S | * | * | trans | -55.8 | 89.2 | 148.9 | -86.5 | -91.9 | 0 | 0 | 0 | 108.7 | W891 F1010 | W891-F917 AromaticContact CH2-CZ 3.98Å; W891-F917 HydrophobicContact CH2-CZ 3.98Å; F917-F1010 HydrophobicContact CE1-CE1 4.09Å; F917-F1010 HydrophobicContact CE1-CZ 4.14Å; F917-F1010 HydrophobicContact CZ-CE1 4.43Å | ||
| 918 | S | 29.2 | Very low | 34.1 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 55% | 0.552 | 72% | 0.721 | S | S | * | * | trans | -152.6 | 106.9 | 162.1 | 63.1 | 0 | 0 | 0 | 0 | 108 | L916 | L916-S918 PolarHBondContact O-N 3.39Š| ||
| 919 | P | 34.3 | Very low | 34.5 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | S | Bend | -139.5 | 63.8 | 89.4 | 39.5 | -24.6 | 0 | 0 | 0 | 113.1 | |||
| 920 | F | 39 | Very low | 34.9 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -133.6 | -7.2 | 164.7 | -87.7 | -79.2 | 0 | 0 | 0 | 115.1 | K922 | F920-K922 VanDerWaalsContact C-N 3.29Å; F920-K922 PolarHBondContact O-N 3.45Å |
| 921 | R | 40.3 | Very low | 35.4 | Very low | 216 Ų | 216 | 132.2 Ų | 132.2 | 82% | 0.815 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 19.4 | 178.9 | -81.7 | -170.8 | 176.6 | -177.8 | 1.5 | 116.3 | ||
| 922 | K | 35.7 | Very low | 35.8 | Very low | 211 Ų | 211 | 135.1 Ų | 135.1 | 92% | 0.917 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 7.7 | -178 | -91.1 | -170.9 | 179 | -179.4 | 0 | 116.7 | F920 | F920-K922 VanDerWaalsContact C-N 3.29Å; F920-K922 PolarHBondContact O-N 3.45Å |
| 923 | S | 33.6 | Very low | 36.1 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | trans | -156.1 | 78.5 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 924 | F | 37.1 | Very low | 36.2 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 39% | 0.386 | 69% | 0.685 | S | S | . | * | trans | -151.8 | 118.2 | 156.4 | -89.8 | -79.2 | 0 | 0 | 0 | 109.1 | E1127 L1131 | F924-E1127 HydrophobicContact CD1-CB 4.42Å; F924-E1127 VanDerWaalsContact CD1-CD 3.42Å; F924-E1127 HydrophobicContact CD1-CG 3.84Å; F924-E1127 WeakPolarHBondContact CD1-OE1 3.4Å; F924-E1127 HydrophobicContact CE1-CB 3.87Å; F924-E1127 HydrophobicContact CE1-CG 3.49Å; F924-E1127 VanDerWaalsContact CE1-CG 3.49Å; F924-L1131 HydrophobicContact CD2-CD2 4.46Å; F924-L1131 HydrophobicContact CE2-CD2 3.48Å; F924-L1131 VanDerWaalsContact CE2-CD2 3.48Å; F924-L1131 HydrophobicContact CE2-CG 4.28Å; F924-L1131 HydrophobicContact CZ-CD1 4.39Å; F924-L1131 HydrophobicContact CZ-CD2 3.55Å; F924-L1131 HydrophobicContact CZ-CG 3.85Å | ||
| 925 | R | 37.7 | Very low | 36 | Very low | 217 Ų | 217 | 144.1 Ų | 144.1 | 82% | 0.819 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -88.8 | 2.1 | -172.7 | -96 | -174.2 | -172.7 | 178.3 | 4.1 | 114.1 | S928 | R925-S928 PolarHBondContact O-OG 3.41Š|
| 926 | Y | 37.4 | Very low | 36.1 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 39% | 0.392 | 68% | 0.676 | S | S | . | * | trans | -110.2 | -2.9 | -168.9 | -83.6 | -97.8 | 0 | 0 | 0 | 117 | S928 I929 E1127 | Y926-S928 PolarHBondContact O-N 2.86Å; Y926-I929 HydrophobicContact CD1-CB 4.33Å; Y926-I929 HydrophobicContact CD1-CD1 3.38Å; Y926-I929 HydrophobicContact CD1-CG1 3.88Å; Y926-I929 HydrophobicContact CE1-CD1 3.22Å; Y926-I929 HydrophobicContact CE1-CG1 4.23Å; Y926-I929 HydrophobicContact CG-CD1 4.41Å; Y926-I929 PolarHBondContact O-N 3.49Å; Y926-I929 VanDerWaalsContact O-N 3.13Å; Y926-E1127 WeakPolarHBondContact CD2-OE2 3.4Å | ||
| 927 | A | 39.7 | Very low | 36 | Very low | 66 Ų | 66 | 139 Ų | 139 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62 | -12.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 928 | S | 41.9 | Very low | 36.1 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 57% | 0.566 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -12.7 | 176.5 | 52.7 | 0 | 0 | 0 | 0 | 115.1 | R925 Y926 | R925-S928 PolarHBondContact O-OG 3.41Å; Y926-S928 PolarHBondContact O-N 2.86Å |
| 929 | I | 41.5 | Very low | 36.8 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 49% | 0.492 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | -33.3 | -177.5 | -58.4 | -160.5 | 0 | 0 | 0 | 111.8 | Y926 | Y926-I929 HydrophobicContact CD1-CB 4.33Å; Y926-I929 HydrophobicContact CD1-CD1 3.38Å; Y926-I929 HydrophobicContact CD1-CG1 3.88Å; Y926-I929 HydrophobicContact CE1-CD1 3.22Å; Y926-I929 HydrophobicContact CE1-CG1 4.23Å; Y926-I929 HydrophobicContact CG-CD1 4.41Å; Y926-I929 PolarHBondContact O-N 3.49Å; Y926-I929 VanDerWaalsContact O-N 3.13Å |
| 930 | F | 39.2 | Very low | 37.3 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -98.1 | -6.5 | -179.2 | -75.8 | -83.1 | 0 | 0 | 0 | 115.1 | K932 | F930-K932 VanDerWaalsContact C-N 3.28Å; F930-K932 PolarHBondContact O-N 3.11Å |
| 931 | R | 40.8 | Very low | 37.6 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 10.5 | 176.1 | -95.3 | -177.8 | 174.9 | 155.7 | 0.3 | 115.5 | ||
| 932 | K | 35.8 | Very low | 38 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 83% | 0.826 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -0.8 | 179.5 | -86 | -174.3 | 177.6 | 178.4 | 0 | 115.2 | F930 | F930-K932 VanDerWaalsContact C-N 3.28Å; F930-K932 PolarHBondContact O-N 3.11Å |
| 933 | Q | 33.5 | Very low | 38.9 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 80% | 0.799 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -138.9 | 81.4 | 173 | -70.4 | -178.1 | -6.7 | 0 | 0 | 110.5 | ||
| 934 | T | 31 | Very low | 40.1 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 77% | 0.767 | 61% | 0.612 | S | S | * | * | trans | 162.4 | 111.5 | 147.2 | 36.9 | 0 | 0 | 0 | 0 | 108.7 | V936 | T934-V936 PolarHBondContact O-N 3.22Š| ||
| 935 | K | 29.3 | Very low | 41.3 | Very low | 207 Ų | 207 | 123.7 Ų | 123.7 | 90% | 0.9 | 61% | 0.607 | S | S | * | * | trans | -75.5 | 103.9 | 164 | -77.8 | 180 | 175 | 178.7 | 0 | 107.2 | ||||
| 936 | V | 33.3 | Very low | 42.7 | Very low | 98 Ų | 98 | 113.8 Ų | 113.8 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | trans | -130.1 | 104.3 | 163.5 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | T934 A939 | T934-V936 PolarHBondContact O-N 3.22Å; V936-A939 HydrophobicContact CG1-CB 4.35Å | ||
| 937 | D | 29.7 | Very low | 43.8 | Very low | 131 Ų | 131 | 110.9 Ų | 110.9 | 70% | 0.701 | 56% | 0.564 | S | S | * | * | trans | -77.7 | 145.8 | 175 | -70.4 | -48.1 | 0 | 0 | 0 | 110.8 | A939 | D937-A939 PolarHBondContact O-N 2.95Š| ||
| 938 | H | 38.6 | Very low | 44.9 | Very low | 189 Ų | 189 | 117.5 Ų | 117.5 | 88% | 0.875 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 62.1 | -6 | 160.9 | -65.8 | -59.1 | 0 | 0 | 0 | 122.1 | ||
| 939 | A | 43.3 | Very low | 46.3 | Very low | 48 Ų | 48 | 118 Ų | 118 | 40% | 0.397 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -79.6 | -17.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V936 D937 K941 A942 | V936-A939 HydrophobicContact CG1-CB 4.35Å; D937-A939 PolarHBondContact O-N 2.95Å; A939-K941 VanDerWaalsContact C-N 3.32Å; A939-K941 PolarHBondContact O-N 3.37Å; A939-A942 PolarHBondContact O-N 2.71Å |
| 940 | D | 44.1 | Very low | 47.5 | Very low | 87 Ų | 87 | 116.3 Ų | 116.3 | 47% | 0.465 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -72.5 | -16.6 | -167.9 | -68.8 | -10 | 0 | 0 | 0 | 115.3 | R943 | D940-R943 IonicContact OD1-CZ 2.89Å; D940-R943 VanDerWaalsContact OD1-CZ 3.23Å; D940-R943 IonicContact OD1-NE 3.01Å; D940-R943 PolarHBondContact OD1-NE 2.96Å; D940-R943 IonicContact OD1-NH2 3.72Å; D940-R943 PolarHBondContact OD1-NH2 3.39Å |
| 941 | K | 46.1 | Very low | 49 | Very low | 196 Ų | 196 | 110.6 Ų | 110.6 | 85% | 0.852 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -89 | -14.6 | 177.3 | -76 | -175.8 | 178.1 | -180 | 0 | 114.4 | A939 | A939-K941 VanDerWaalsContact C-N 3.32Å; A939-K941 PolarHBondContact O-N 3.37Å |
| 942 | A | 49.2 | Very low | 50.6 | Low | 70 Ų | 70 | 102.3 Ų | 102.3 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -86 | -11.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A939 F944 D945 | A939-A942 PolarHBondContact O-N 2.71Å; A942-F944 VanDerWaalsContact C-N 3.31Å; A942-F944 PolarHBondContact O-N 3.47Å; A942-D945 PolarHBondContact O-N 3.24Å |
| 943 | R | 54.8 | Low | 52.6 | Low | 94 Ų | 94 | 99 Ų | 99 | 36% | 0.355 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.2 | -168.6 | -61.5 | -174.7 | -170.2 | -165.3 | 2.7 | 114.3 | Q885 D940 | Q885-R943 PolarHBondContact NE2-O 3.41Å; D940-R943 IonicContact OD1-CZ 2.89Å; D940-R943 VanDerWaalsContact OD1-CZ 3.23Å; D940-R943 IonicContact OD1-NE 3.01Å; D940-R943 PolarHBondContact OD1-NE 2.96Å; D940-R943 IonicContact OD1-NH2 3.72Å; D940-R943 PolarHBondContact OD1-NH2 3.39Å |
| 944 | F | 57.8 | Low | 54.6 | Low | 46 Ų | 46 | 95.5 Ų | 95.5 | 20% | 0.202 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 13.1 | 178 | -61.2 | -75.3 | 0 | 0 | 0 | 113.3 | A942 F946 Y1004 E1007 | A942-F944 VanDerWaalsContact C-N 3.31Å; A942-F944 PolarHBondContact O-N 3.47Å; F944-F946 WeakPolarHBondContact O-CD1 3.32Å; F944-F946 PolarHBondContact O-N 2.87Å; F944-Y1004 HydrophobicContact CZ-CD1 4.24Å; F944-E1007 HydrophobicContact CE2-CG 4.17Å; F944-E1007 HydrophobicContact CZ-CB 4.32Å; F944-E1007 HydrophobicContact CZ-CG 4.3Å |
| 945 | D | 61.8 | Low | 56.9 | Low | 53 Ų | 53 | 89.7 Ų | 89.7 | 28% | 0.283 | 44% | 0.44 | S | S | . | . | trans | -80.7 | 62.9 | -179.3 | -152 | 15.1 | 0 | 0 | 0 | 110.4 | A942 R948 | A942-D945 PolarHBondContact O-N 3.24Å; D945-R948 IonicContact OD2-CZ 2.66Å; D945-R948 IonicContact OD2-NE 3.37Å; D945-R948 PolarHBondContact OD2-NE 3.19Å; D945-R948 IonicContact OD2-NH2 3.23Å; D945-R948 PolarHBondContact OD2-NH2 3.36Å | ||
| 946 | F | 67.6 | Low | 59.5 | Low | 8 Ų | 8 | 81 Ų | 81 | 4% | 0.035 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -61.5 | -24.4 | 179.9 | 73 | -92.1 | 0 | 0 | 0 | 116.4 | Y888 I889 H892 V899 F944 R948 K949 I952 Y956 | Y888-F946 AromaticContact CD1-CD1 3.91Å; Y888-F946 HydrophobicContact CD1-CD1 3.91Å; Y888-F946 AromaticContact CD1-CE1 3.77Å; Y888-F946 HydrophobicContact CD1-CE1 3.77Å; Y888-F946 HydrophobicContact CE1-CD1 4.17Å; Y888-F946 AromaticContact CE1-CE1 3.8Å; Y888-F946 HydrophobicContact CE1-CE1 3.8Å; I889-F946 HydrophobicContact CG1-CD2 4.35Å; I889-F946 HydrophobicContact CG1-CE2 4.47Å; H892-F946 AromaticContact CD2-CE1 3.95Å; V899-F946 HydrophobicContact CB-CZ 4.49Å; V899-F946 HydrophobicContact CG1-CE2 4.27Å; V899-F946 HydrophobicContact CG1-CZ 4.04Å; V899-F946 HydrophobicContact CG2-CE2 4.12Å; V899-F946 HydrophobicContact CG2-CZ 3.59Å; F944-F946 WeakPolarHBondContact O-CD1 3.32Å; F944-F946 PolarHBondContact O-N 2.87Å; F946-R948 PolarHBondContact O-N 3.27Å; F946-K949 PolarHBondContact O-N 3.46Å; F946-K949 VanDerWaalsContact O-N 3.13Å; F946-I952 HydrophobicContact CB-CG2 3.84Å; F946-I952 HydrophobicContact CD2-CG2 4.46Å; F946-Y956 HydrophobicContact CE2-CD2 4.41Å; F946-Y956 HydrophobicContact CE2-CG 4.32Å |
| 947 | P | 60.3 | Low | 61.9 | Low | 40 Ų | 40 | 81.3 Ų | 81.3 | 26% | 0.26 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -61.9 | -19 | 179.6 | -21.8 | 32.3 | 0 | 0 | 0 | 114.2 | V899 | V899-P947 HydrophobicContact CG1-CB 4.48Å; V899-P947 HydrophobicContact CG1-CG 3.71Å |
| 948 | R | 64.1 | Low | 64.5 | Low | 204 Ų | 204 | 77.6 Ų | 77.6 | 77% | 0.77 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -81.6 | -18.6 | 179.5 | -62.3 | -172.9 | -170.9 | -153.9 | -2.7 | 113.7 | D945 F946 | D945-R948 IonicContact OD2-CZ 2.66Å; D945-R948 IonicContact OD2-NE 3.37Å; D945-R948 PolarHBondContact OD2-NE 3.19Å; D945-R948 IonicContact OD2-NH2 3.23Å; D945-R948 PolarHBondContact OD2-NH2 3.36Å; F946-R948 PolarHBondContact O-N 3.27Å |
| 949 | K | 69.6 | Low | 66.8 | Low | 93 Ų | 93 | 68.6 Ų | 68.6 | 40% | 0.404 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -96.8 | 103.9 | 178.7 | -70.4 | -172.9 | 171.8 | -164.9 | 0 | 109.3 | F946 I952 R953 | F946-K949 PolarHBondContact O-N 3.46Å; F946-K949 VanDerWaalsContact O-N 3.13Å; K949-I952 HydrophobicContact CB-CB 4.15Å; K949-I952 HydrophobicContact CB-CD1 4.01Å; K949-I952 HydrophobicContact CB-CG1 4.01Å; K949-I952 HydrophobicContact CD-CD1 3.57Å; K949-I952 HydrophobicContact CD-CG1 4.4Å; K949-I952 HydrophobicContact CG-CD1 4.43Å; K949-I952 PolarHBondContact O-N 3.33Å; K949-I952 VanDerWaalsContact O-N 3.1Å; K949-R953 PolarHBondContact O-N 3.47Å |
| 950 | A | 68.3 | Low | 68.8 | Low | 59 Ų | 59 | 72.1 Ų | 72.1 | 49% | 0.488 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -45.6 | -48.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | I952 R953 R954 | A950-I952 PolarHBondContact O-N 2.99Å; A950-R953 PolarHBondContact O-N 3.47Å; A950-R954 PolarHBondContact O-N 2.95Å |
| 951 | P | 70.7 | Confident | 70.7 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.7 | -36.5 | -179.7 | 22.6 | -33.7 | 0 | 0 | 0 | 113 | E821 R954 L955 | E821-P951 HydrophobicContact CB-CG 4.42Å; P951-R954 PolarHBondContact O-N 3.36Å; P951-L955 PolarHBondContact O-N 2.84Å |
| 952 | I | 73.8 | Confident | 72.6 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73 | -35 | 179.5 | -56 | -173.3 | 0 | 0 | 0 | 111.2 | I889 F946 K949 A950 L955 Y956 | I889-I952 HydrophobicContact CD1-CG2 3.33Å; I889-I952 HydrophobicContact CG1-CG2 4.43Å; F946-I952 HydrophobicContact CB-CG2 3.84Å; F946-I952 HydrophobicContact CD2-CG2 4.46Å; K949-I952 HydrophobicContact CB-CB 4.15Å; K949-I952 HydrophobicContact CB-CD1 4.01Å; K949-I952 HydrophobicContact CB-CG1 4.01Å; K949-I952 HydrophobicContact CD-CD1 3.57Å; K949-I952 HydrophobicContact CD-CG1 4.4Å; K949-I952 HydrophobicContact CG-CD1 4.43Å; K949-I952 PolarHBondContact O-N 3.33Å; K949-I952 VanDerWaalsContact O-N 3.1Å; A950-I952 PolarHBondContact O-N 2.99Å; I952-L955 PolarHBondContact O-N 3.36Å; I952-Y956 PolarHBondContact O-N 3.06Å |
| 953 | R | 76.8 | Confident | 74.2 | Confident | 122 Ų | 122 | 59.9 Ų | 59.9 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 171.3 | 179.1 | 179.8 | 171.2 | 169.6 | -1.2 | 111.5 | K949 A950 L955 Y956 E957 | K949-R953 PolarHBondContact O-N 3.47Å; A950-R953 PolarHBondContact O-N 3.47Å; R953-L955 VanDerWaalsContact C-N 3.34Å; R953-Y956 WeakPolarHBondContact O-CB 3.46Å; R953-Y956 PolarHBondContact O-N 2.94Å; R953-E957 IonicContact NE-OE1 3.79Å; R953-E957 PolarHBondContact NE-OE1 2.84Å; R953-E957 IonicContact NH2-OE1 2.7Å; R953-E957 PolarHBondContact O-N 2.89Å |
| 954 | R | 76.8 | Confident | 75.6 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176 | -168.3 | 172.4 | -175.7 | 179.9 | -2.7 | 111.3 | D823 A950 P951 Y956 E957 I958 | D823-R954 PolarHBondContact O-NH1 2.98Å; D823-R954 IonicContact OD1-NH1 3.14Å; A950-R954 PolarHBondContact O-N 2.95Å; P951-R954 PolarHBondContact O-N 3.36Å; R954-Y956 VanDerWaalsContact C-N 3.31Å; R954-Y956 PolarHBondContact O-N 3.4Å; R954-E957 PolarHBondContact O-N 3.5Å; R954-E957 VanDerWaalsContact O-N 3.12Å; R954-I958 HydrophobicContact CG-CD1 4.34Å; R954-I958 WeakPolarHBondContact O-CG1 3.49Å; R954-I958 PolarHBondContact O-N 3.28Å |
| 955 | L | 80 | Confident | 76.9 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58 | -41.5 | 172.8 | -175.5 | 65.4 | 0 | 0 | 0 | 112 | W833 V886 P951 I952 R953 I958 L959 L981 | W833-L955 HydrophobicContact CD2-CD2 4.16Å; W833-L955 HydrophobicContact CE3-CD2 4.17Å; W833-L955 HydrophobicContact CG-CD1 4.48Å; W833-L955 HydrophobicContact CZ3-CD2 4.39Å; V886-L955 HydrophobicContact CG2-CD2 4.35Å; P951-L955 PolarHBondContact O-N 2.84Å; I952-L955 PolarHBondContact O-N 3.36Å; R953-L955 VanDerWaalsContact C-N 3.34Å; L955-I958 PolarHBondContact O-N 3.41Å; L955-L959 HydrophobicContact CD1-CD1 4.27Å; L955-L959 HydrophobicContact CD1-CG 4.43Å; L955-L959 HydrophobicContact CG-CD1 3.95Å; L955-L959 WeakPolarHBondContact O-CB 3.1Å; L955-L959 WeakPolarHBondContact O-CG 3.36Å; L955-L959 PolarHBondContact O-N 3.19Å; L955-L981 HydrophobicContact CD1-CD2 3.87Å; L955-L981 HydrophobicContact CD2-CD2 4.17Å; L955-L981 HydrophobicContact CG-CD2 4.44Å |
| 956 | Y | 83.9 | Confident | 78 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 172.8 | 166 | -96.1 | 0 | 0 | 0 | 112.6 | I889 H892 V893 V899 F946 I952 R953 R954 L959 K960 | I889-Y956 HydrophobicContact CG2-CD2 4.07Å; H892-Y956 HydrophobicContact CB-CE2 4.16Å; V893-Y956 HydrophobicContact CG2-CD2 3.95Å; V893-Y956 HydrophobicContact CG2-CE2 3.96Å; V899-Y956 HydrophobicContact CG2-CE1 4.15Å; V899-Y956 HydrophobicContact CG2-CE2 3.87Å; F946-Y956 HydrophobicContact CE2-CD2 4.41Å; F946-Y956 HydrophobicContact CE2-CG 4.32Å; I952-Y956 PolarHBondContact O-N 3.06Å; R953-Y956 WeakPolarHBondContact O-CB 3.46Å; R953-Y956 PolarHBondContact O-N 2.94Å; R954-Y956 VanDerWaalsContact C-N 3.31Å; R954-Y956 PolarHBondContact O-N 3.4Å; Y956-L959 PolarHBondContact O-N 3.44Å; Y956-K960 HydrophobicContact CE1-CD 4.35Å; Y956-K960 WeakPolarHBondContact O-CB 3.5Å; Y956-K960 PolarHBondContact O-N 3.44Å |
| 957 | E | 82.7 | Confident | 78.7 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 178.4 | -71.2 | -179.9 | -172 | 0 | 0 | 111.9 | R953 R954 K960 G961 | R953-E957 IonicContact NE-OE1 3.79Å; R953-E957 PolarHBondContact NE-OE1 2.84Å; R953-E957 IonicContact NH2-OE1 2.7Å; R953-E957 PolarHBondContact O-N 2.89Å; R954-E957 PolarHBondContact O-N 3.5Å; R954-E957 VanDerWaalsContact O-N 3.12Å; E957-K960 PolarHBondContact O-N 3.49Å; E957-G961 PolarHBondContact O-N 3.47Å; E957-G961 VanDerWaalsContact O-N 3.14Å |
| 958 | I | 84.6 | Confident | 79.9 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.8 | -48.7 | 175.9 | -60.3 | 170.2 | 0 | 0 | 0 | 110.5 | A829 L830 R954 L955 K960 G961 Q962 | A829-I958 HydrophobicContact CB-CD1 3.77Å; L830-I958 HydrophobicContact CD1-CG2 3.72Å; R954-I958 HydrophobicContact CG-CD1 4.34Å; R954-I958 WeakPolarHBondContact O-CG1 3.49Å; R954-I958 PolarHBondContact O-N 3.28Å; L955-I958 PolarHBondContact O-N 3.41Å; I958-K960 VanDerWaalsContact C-N 3.26Å; I958-K960 PolarHBondContact O-N 2.94Å; I958-G961 WeakPolarHBondContact O-CA 3.48Å; I958-G961 PolarHBondContact O-N 3.04Å; I958-G961 VanDerWaalsContact O-N 3.07Å; I958-Q962 HydrophobicContact CG2-CG 4.41Å; I958-Q962 PolarHBondContact O-N 3.41Å |
| 959 | L | 85.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -33.3 | 178.5 | -77.9 | 170.3 | 0 | 0 | 0 | 112.4 | L830 I889 Y890 V893 L955 Y956 G961 G963 F978 L981 | L830-L959 HydrophobicContact CD1-CD2 3.75Å; L830-L959 HydrophobicContact CD1-CG 4.23Å; L830-L959 HydrophobicContact CG-CD2 4.4Å; I889-L959 HydrophobicContact CG2-CD1 3.74Å; Y890-L959 HydrophobicContact CD2-CD1 4.48Å; Y890-L959 HydrophobicContact CE1-CD2 4.1Å; Y890-L959 HydrophobicContact CE2-CD1 4Å; Y890-L959 HydrophobicContact CE2-CD2 4.3Å; Y890-L959 WeakPolarHBondContact OH-CD2 3.44Å; V893-L959 HydrophobicContact CG2-CB 4.33Å; L955-L959 HydrophobicContact CD1-CD1 4.27Å; L955-L959 HydrophobicContact CD1-CG 4.43Å; L955-L959 HydrophobicContact CG-CD1 3.95Å; L955-L959 WeakPolarHBondContact O-CB 3.1Å; L955-L959 WeakPolarHBondContact O-CG 3.36Å; L955-L959 PolarHBondContact O-N 3.19Å; Y956-L959 PolarHBondContact O-N 3.44Å; L959-G961 VanDerWaalsContact C-N 3.35Å; L959-G963 WeakPolarHBondContact O-CA 3.21Å; L959-G963 PolarHBondContact O-N 3.16Å; L959-F978 HydrophobicContact CD2-CD2 4.44Å; L959-F978 HydrophobicContact CD2-CE2 4.5Å; L959-L981 HydrophobicContact CD1-CD2 4.29Å |
| 960 | K | 85.8 | Confident | 81.2 | Confident | 123 Ų | 123 | 47.4 Ų | 47.4 | 54% | 0.535 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64 | -40.9 | 173.2 | -177.5 | -176.9 | 176.6 | -174.1 | 0 | 111.5 | Y956 E957 I958 A964 | Y956-K960 HydrophobicContact CE1-CD 4.35Å; Y956-K960 WeakPolarHBondContact O-CB 3.5Å; Y956-K960 PolarHBondContact O-N 3.44Å; E957-K960 PolarHBondContact O-N 3.49Å; I958-K960 VanDerWaalsContact C-N 3.26Å; I958-K960 PolarHBondContact O-N 2.94Å; K960-A964 PolarHBondContact O-N 2.87Å |
| 961 | G | 84.8 | Confident | 81.5 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -53.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E957 I958 L959 G963 A964 T965 | E957-G961 PolarHBondContact O-N 3.47Å; E957-G961 VanDerWaalsContact O-N 3.14Å; I958-G961 WeakPolarHBondContact O-CA 3.48Å; I958-G961 PolarHBondContact O-N 3.04Å; I958-G961 VanDerWaalsContact O-N 3.07Å; L959-G961 VanDerWaalsContact C-N 3.35Å; G961-G963 VanDerWaalsContact C-N 3.29Å; G961-G963 PolarHBondContact O-N 2.72Å; G961-A964 WeakPolarHBondContact O-CB 3.34Å; G961-A964 PolarHBondContact O-N 3.09Å; G961-T965 PolarHBondContact O-N 3.31Å; G961-T965 VanDerWaalsContact O-N 3.16Å; G961-T965 PolarHBondContact O-OG1 3.46Å |
| 962 | Q | 84.8 | Confident | 81.6 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 27% | 0.266 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -35.5 | 178.6 | -62.6 | -56.7 | -28.7 | 0 | 0 | 112.6 | L830 I958 A964 T965 Y966 F978 | L830-Q962 HydrophobicContact CD1-CG 4.03Å; I958-Q962 HydrophobicContact CG2-CG 4.41Å; I958-Q962 PolarHBondContact O-N 3.41Å; Q962-A964 VanDerWaalsContact C-N 3.26Å; Q962-A964 PolarHBondContact O-N 3.23Å; Q962-T965 PolarHBondContact O-N 3.35Å; Q962-Y966 VanDerWaalsContact O-CB 3.31Å; Q962-Y966 WeakPolarHBondContact O-CB 3.47Å; Q962-Y966 PolarHBondContact O-N 3.46Å; Q962-F978 HydrophobicContact CB-CD2 4.13Å |
| 963 | G | 82.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.8 | -23.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L959 G961 R967 F978 | L959-G963 WeakPolarHBondContact O-CA 3.21Å; L959-G963 PolarHBondContact O-N 3.16Å; G961-G963 VanDerWaalsContact C-N 3.29Å; G961-G963 PolarHBondContact O-N 2.72Å; G963-R967 WeakPolarHBondContact O-CG 3.3Å; G963-F978 VanDerWaalsContact CA-CE2 3.43Å |
| 964 | A | 84.5 | Confident | 81.7 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.2 | -48.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | K960 G961 Q962 Y966 R967 V968 | K960-A964 PolarHBondContact O-N 2.87Å; G961-A964 WeakPolarHBondContact O-CB 3.34Å; G961-A964 PolarHBondContact O-N 3.09Å; Q962-A964 VanDerWaalsContact C-N 3.26Å; Q962-A964 PolarHBondContact O-N 3.23Å; A964-Y966 PolarHBondContact O-N 3.45Å; A964-R967 PolarHBondContact O-N 2.88Å; A964-V968 VanDerWaalsContact O-CG2 3.29Å; A964-V968 WeakPolarHBondContact O-CG2 3.46Å; A964-V968 PolarHBondContact O-N 3.33Å |
| 965 | T | 85.5 | Confident | 81.8 | Confident | 74 Ų | 74 | 49 Ų | 49 | 45% | 0.454 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 177.1 | -47.4 | 0 | 0 | 0 | 0 | 111.6 | G961 Q962 R967 V968 S969 | G961-T965 PolarHBondContact O-N 3.31Å; G961-T965 VanDerWaalsContact O-N 3.16Å; G961-T965 PolarHBondContact O-OG1 3.46Å; Q962-T965 PolarHBondContact O-N 3.35Å; T965-R967 PolarHBondContact O-N 3.01Å; T965-R967 VanDerWaalsContact O-N 3.16Å; T965-V968 PolarHBondContact O-N 3.06Å; T965-S969 PolarHBondContact O-N 3.05Å; T965-S969 PolarHBondContact O-OG 3.36Å; T965-S969 VanDerWaalsContact O-OG 3.04Å |
| 966 | Y | 84.9 | Confident | 81.7 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.4 | -41.5 | 176.3 | 172.3 | -91.7 | 0 | 0 | 0 | 112.8 | R26 Q962 A964 V968 S969 T975 F978 I979 L1018 | R26-Y966 PolarHBondContact NE-O 3Å; R26-Y966 PolarHBondContact NH1-OH 3.39Å; R26-Y966 PolarHBondContact NH2-O 3.13Å; Q962-Y966 VanDerWaalsContact O-CB 3.31Å; Q962-Y966 WeakPolarHBondContact O-CB 3.47Å; Q962-Y966 PolarHBondContact O-N 3.46Å; A964-Y966 PolarHBondContact O-N 3.45Å; Y966-V968 VanDerWaalsContact C-N 3.27Å; Y966-V968 PolarHBondContact O-N 2.78Å; Y966-S969 VanDerWaalsContact O-O 3.06Å; Y966-T975 HydrophobicContact CE2-CG2 3.89Å; Y966-F978 HydrophobicContact CD1-CD1 4.03Å; Y966-F978 HydrophobicContact CD1-CE1 4.34Å; Y966-F978 HydrophobicContact CD2-CB 3.94Å; Y966-F978 AromaticContact CD2-CD1 3.76Å; Y966-F978 HydrophobicContact CD2-CD1 3.76Å; Y966-F978 HydrophobicContact CD2-CG 4.21Å; Y966-F978 HydrophobicContact CE1-CD1 4.47Å; Y966-F978 HydrophobicContact CE2-CD1 4.15Å; Y966-F978 HydrophobicContact CG-CB 4.19Å; Y966-F978 AromaticContact CG-CD1 3.68Å; Y966-F978 HydrophobicContact CG-CD1 3.68Å; Y966-F978 HydrophobicContact CG-CE1 4.42Å; Y966-F978 HydrophobicContact CG-CG 4.12Å; Y966-I979 HydrophobicContact CE2-CD1 3.81Å; Y966-I979 HydrophobicContact CE2-CG1 4.19Å; Y966-L1018 HydrophobicContact CE1-CD2 4.43Å |
| 967 | R | 82.7 | Confident | 81.6 | Confident | 54 Ų | 54 | 56.9 Ų | 56.9 | 20% | 0.204 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.3 | -22.3 | -178.3 | -72.2 | 175 | 177.9 | 145.8 | 3.8 | 113.2 | M23 V893 S894 G963 A964 T965 | M23-R967 VanDerWaalsContact CA-O 3.29Å; M23-R967 WeakPolarHBondContact CA-O 3.36Å; M23-R967 HydrophobicContact CG-CB 4.37Å; M23-R967 VanDerWaalsContact CG-O 3.29Å; M23-R967 WeakPolarHBondContact CG-O 3.27Å; M23-R967 PolarHBondContact N-O 3.16Å; V893-R967 PolarHBondContact O-NH2 3.47Å; S894-R967 PolarHBondContact O-NH2 2.74Å; G963-R967 WeakPolarHBondContact O-CG 3.3Å; A964-R967 PolarHBondContact O-N 2.88Å; T965-R967 PolarHBondContact O-N 3.01Å; T965-R967 VanDerWaalsContact O-N 3.16Å |
| 968 | V | 85.5 | Confident | 81.8 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -101.7 | -17.8 | -169.4 | -178 | 0 | 0 | 0 | 0 | 111.8 | E19 N22 M23 A964 T965 Y966 | E19-V968 HydrophobicContact CB-CG1 3.54Å; E19-V968 HydrophobicContact CG-CG1 3.27Å; N22-V968 WeakPolarHBondContact CB-O 3.48Å; N22-V968 PolarHBondContact ND2-O 3.14Å; M23-V968 HydrophobicContact CG-CG2 4.23Å; M23-V968 HydrophobicContact SD-CG2 4.39Å; A964-V968 VanDerWaalsContact O-CG2 3.29Å; A964-V968 WeakPolarHBondContact O-CG2 3.46Å; A964-V968 PolarHBondContact O-N 3.33Å; T965-V968 PolarHBondContact O-N 3.06Å; Y966-V968 VanDerWaalsContact C-N 3.27Å; Y966-V968 PolarHBondContact O-N 2.78Å |
| 969 | S | 83 | Confident | 81.9 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | trans | -111.7 | 160.6 | 172.8 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | R26 T965 Y966 S974 | R26-S969 VanDerWaalsContact CZ-O 3.23Å; R26-S969 PolarHBondContact NE-O 3.38Å; R26-S969 PolarHBondContact NH2-O 3.44Å; T965-S969 PolarHBondContact O-N 3.05Å; T965-S969 PolarHBondContact O-OG 3.36Å; T965-S969 VanDerWaalsContact O-OG 3.04Å; Y966-S969 VanDerWaalsContact O-O 3.06Å; S969-S974 WeakPolarHBondContact OG-CB 3.11Å; S969-S974 PolarHBondContact OG-OG 3.13Å | ||
| 970 | I | 76.9 | Confident | 81.9 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | trans | -124.2 | 37.4 | 174.6 | -42 | -179.5 | 0 | 0 | 0 | 110.2 | N22 I25 K60 A63 | N22-I970 HydrophobicContact CB-CD1 4.2Å; N22-I970 HydrophobicContact CB-CG1 3.93Å; N22-I970 WeakPolarHBondContact OD1-CD1 3.42Å; I25-I970 HydrophobicContact CB-CD1 3.84Å; I25-I970 HydrophobicContact CD1-CD1 3.65Å; I25-I970 HydrophobicContact CG1-CD1 4.35Å; I25-I970 HydrophobicContact CG2-CD1 3.76Å; K60-I970 HydrophobicContact CD-CD1 4.01Å; A63-I970 HydrophobicContact CB-CG2 4.14Å | ||
| 971 | D | 75.5 | Confident | 82 | Confident | 98 Ų | 98 | 44.3 Ų | 44.3 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | trans | -106.8 | 147.7 | -174.8 | -43.6 | -44.8 | 0 | 0 | 0 | 110 | D973 S974 T975 | D971-D973 VanDerWaalsContact C-N 3.35Å; D971-D973 PolarHBondContact O-N 2.93Å; D971-S974 PolarHBondContact O-N 3.43Å; D971-S974 PolarHBondContact O-OG 3.22Å; D971-T975 PolarHBondContact O-N 2.97Å; D971-T975 PolarHBondContact O-OG1 3.33Å; D971-T975 VanDerWaalsContact O-OG1 3.05Å | ||
| 972 | D | 73.2 | Confident | 82.2 | Confident | 89 Ų | 89 | 42.6 Ų | 42.6 | 48% | 0.476 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.2 | -40.4 | -174.6 | -60.4 | -45.4 | 0 | 0 | 0 | 111.3 | R105 S974 T975 D976 | R105-D972 IonicContact CZ-OD2 2.76Å; R105-D972 IonicContact NH1-OD2 3.61Å; R105-D972 IonicContact NH2-OD2 2.72Å; R105-D972 PolarHBondContact NH2-OD2 3.09Å; D972-S974 PolarHBondContact O-N 3.11Å; D972-T975 CarbonylContact O-C 3.6Å; D972-T975 WeakPolarHBondContact O-CA 3.38Å; D972-T975 VanDerWaalsContact O-CB 3.23Å; D972-T975 WeakPolarHBondContact O-CB 3.48Å; D972-T975 PolarHBondContact O-N 2.93Å; D972-D976 PolarHBondContact O-N 2.82Å |
| 973 | D | 74.3 | Confident | 82.4 | Confident | 115 Ų | 115 | 44.1 Ų | 44.1 | 62% | 0.615 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60 | -43 | 178.6 | -60.8 | -20.8 | 0 | 0 | 0 | 112.9 | D971 T975 D976 R977 | D971-D973 VanDerWaalsContact C-N 3.35Å; D971-D973 PolarHBondContact O-N 2.93Å; D973-T975 PolarHBondContact O-N 3.21Å; D973-D976 PolarHBondContact O-N 3.43Å; D973-R977 WeakPolarHBondContact O-CG 2.93Å; D973-R977 PolarHBondContact O-N 2.94Å |
| 974 | S | 77.4 | Confident | 82.7 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -26.3 | 176.4 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | R26 S969 D971 D972 F978 | R26-S974 PolarHBondContact NH2-OG 2.89Å; S969-S974 WeakPolarHBondContact OG-CB 3.11Å; S969-S974 PolarHBondContact OG-OG 3.13Å; D971-S974 PolarHBondContact O-N 3.43Å; D971-S974 PolarHBondContact O-OG 3.22Å; D972-S974 PolarHBondContact O-N 3.11Å; S974-F978 PolarHBondContact O-N 3.28Å |
| 975 | T | 79.5 | Confident | 82.9 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 20% | 0.202 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -76.5 | -46.1 | 177 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | R26 Y966 D971 D972 D973 F978 I979 | R26-T975 PolarHBondContact NH1-OG1 2.9Å; R26-T975 PolarHBondContact NH2-OG1 3.45Å; Y966-T975 HydrophobicContact CE2-CG2 3.89Å; D971-T975 PolarHBondContact O-N 2.97Å; D971-T975 PolarHBondContact O-OG1 3.33Å; D971-T975 VanDerWaalsContact O-OG1 3.05Å; D972-T975 CarbonylContact O-C 3.6Å; D972-T975 WeakPolarHBondContact O-CA 3.38Å; D972-T975 VanDerWaalsContact O-CB 3.23Å; D972-T975 WeakPolarHBondContact O-CB 3.48Å; D972-T975 PolarHBondContact O-N 2.93Å; D973-T975 PolarHBondContact O-N 3.21Å; T975-F978 PolarHBondContact O-N 3.11Å; T975-I979 HydrophobicContact CG2-CD1 3.82Å; T975-I979 HydrophobicContact CG2-CG1 4.45Å; T975-I979 VanDerWaalsContact O-CB 3.3Å; T975-I979 WeakPolarHBondContact O-CB 3.4Å; T975-I979 WeakPolarHBondContact O-CG1 3.14Å; T975-I979 PolarHBondContact O-N 3Å |
| 976 | D | 77.8 | Confident | 83 | Confident | 77 Ų | 77 | 38.4 Ų | 38.4 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.2 | -38.4 | 177.2 | -84.9 | -28.8 | 0 | 0 | 0 | 112.9 | D972 D973 F978 I979 G980 R983 | D972-D976 PolarHBondContact O-N 2.82Å; D973-D976 PolarHBondContact O-N 3.43Å; D976-F978 VanDerWaalsContact C-N 3.25Å; D976-F978 PolarHBondContact O-N 3.48Å; D976-I979 PolarHBondContact O-N 2.8Å; D976-G980 VanDerWaalsContact O-CA 3.26Å; D976-G980 WeakPolarHBondContact O-CA 2.79Å; D976-G980 PolarHBondContact O-N 2.93Å; D976-R983 IonicContact OD1-CZ 3.86Å; D976-R983 IonicContact OD1-NH1 3.2Å; D976-R983 PolarHBondContact OD1-NH1 3.28Å; D976-R983 VanDerWaalsContact OD1-NH1 3.07Å; D976-R983 IonicContact OD1-NH2 3.15Å |
| 977 | R | 81.9 | Confident | 83 | Confident | 114 Ų | 114 | 41.6 Ų | 41.6 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.1 | -31.7 | 175.2 | -74.5 | -175.6 | -175.1 | 169.4 | 7.2 | 113.3 | D369 L830 D973 | D369-R977 IonicContact OD1-CZ 3.96Å; D369-R977 IonicContact OD1-NH2 2.94Å; D369-R977 PolarHBondContact OD1-NH2 3.31Å; D369-R977 IonicContact OD2-NH2 3.12Å; D369-R977 PolarHBondContact OD2-NH2 3.34Å; D369-R977 VanDerWaalsContact OD2-NH2 3.07Å; L830-R977 VanDerWaalsContact CD2-O 3.3Å; L830-R977 WeakPolarHBondContact CD2-O 3.41Å; D973-R977 WeakPolarHBondContact O-CG 2.93Å; D973-R977 PolarHBondContact O-N 2.94Å |
| 978 | F | 86.3 | Confident | 83.1 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -87.5 | -40.8 | 177.7 | -178.3 | -116.3 | 0 | 0 | 0 | 112.7 | Y890 V893 L959 Q962 G963 Y966 S974 T975 D976 L1018 | Y890-F978 HydrophobicContact CD1-CE2 4.4Å; Y890-F978 HydrophobicContact CD1-CZ 4.04Å; Y890-F978 HydrophobicContact CE1-CD2 4.43Å; Y890-F978 HydrophobicContact CE1-CE1 4.39Å; Y890-F978 HydrophobicContact CE1-CE2 4.03Å; Y890-F978 HydrophobicContact CE1-CZ 4.01Å; Y890-F978 VanDerWaalsContact CE1-O 3.26Å; Y890-F978 WeakPolarHBondContact CE1-O 3.5Å; Y890-F978 PolarHBondContact OH-O 3.41Å; V893-F978 HydrophobicContact CG1-CE2 3.86Å; V893-F978 HydrophobicContact CG1-CZ 3.94Å; L959-F978 HydrophobicContact CD2-CD2 4.44Å; L959-F978 HydrophobicContact CD2-CE2 4.5Å; Q962-F978 HydrophobicContact CB-CD2 4.13Å; G963-F978 VanDerWaalsContact CA-CE2 3.43Å; Y966-F978 HydrophobicContact CD1-CD1 4.03Å; Y966-F978 HydrophobicContact CD1-CE1 4.34Å; Y966-F978 HydrophobicContact CD2-CB 3.94Å; Y966-F978 AromaticContact CD2-CD1 3.76Å; Y966-F978 HydrophobicContact CD2-CD1 3.76Å; Y966-F978 HydrophobicContact CD2-CG 4.21Å; Y966-F978 HydrophobicContact CE1-CD1 4.47Å; Y966-F978 HydrophobicContact CE2-CD1 4.15Å; Y966-F978 HydrophobicContact CG-CB 4.19Å; Y966-F978 AromaticContact CG-CD1 3.68Å; Y966-F978 HydrophobicContact CG-CD1 3.68Å; Y966-F978 HydrophobicContact CG-CE1 4.42Å; Y966-F978 HydrophobicContact CG-CG 4.12Å; S974-F978 PolarHBondContact O-N 3.28Å; T975-F978 PolarHBondContact O-N 3.11Å; D976-F978 VanDerWaalsContact C-N 3.25Å; D976-F978 PolarHBondContact O-N 3.48Å; F978-L1018 HydrophobicContact CE1-CD2 4.18Å |
| 979 | I | 86.3 | Confident | 83.3 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.046 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -95.6 | -22.2 | -170.8 | -60.1 | -173.9 | 0 | 0 | 0 | 112.5 | Y966 T975 D976 L981 L982 R983 L1019 | Y966-I979 HydrophobicContact CE2-CD1 3.81Å; Y966-I979 HydrophobicContact CE2-CG1 4.19Å; T975-I979 HydrophobicContact CG2-CD1 3.82Å; T975-I979 HydrophobicContact CG2-CG1 4.45Å; T975-I979 VanDerWaalsContact O-CB 3.3Å; T975-I979 WeakPolarHBondContact O-CB 3.4Å; T975-I979 WeakPolarHBondContact O-CG1 3.14Å; T975-I979 PolarHBondContact O-N 3Å; D976-I979 PolarHBondContact O-N 2.8Å; I979-L981 VanDerWaalsContact C-N 3.33Å; I979-L981 PolarHBondContact O-N 3Å; I979-L982 WeakPolarHBondContact O-CA 3.41Å; I979-L982 WeakPolarHBondContact O-CB 3.2Å; I979-L982 PolarHBondContact O-N 2.92Å; I979-R983 PolarHBondContact O-N 3.48Å; I979-L1019 HydrophobicContact CG2-CD1 3.22Å; I979-L1019 HydrophobicContact CG2-CG 4.44Å |
| 980 | G | 85.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.3 | -40.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D976 R983 S984 | D976-G980 VanDerWaalsContact O-CA 3.26Å; D976-G980 WeakPolarHBondContact O-CA 2.79Å; D976-G980 PolarHBondContact O-N 2.93Å; G980-R983 WeakPolarHBondContact O-CB 3.31Å; G980-R983 PolarHBondContact O-N 2.97Å; G980-S984 PolarHBondContact O-N 2.76Å; G980-S984 VanDerWaalsContact O-N 3.11Å |
| 981 | L | 88.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | 174.6 | 173 | 66 | 0 | 0 | 0 | 112.1 | L830 W833 L837 V886 Y890 L955 L959 I979 R983 S984 V985 | L830-L981 HydrophobicContact CD2-CB 3.83Å; L830-L981 HydrophobicContact CD2-CD2 4.47Å; W833-L981 HydrophobicContact CB-CD1 3.78Å; L837-L981 HydrophobicContact CD1-CD1 4.19Å; V886-L981 HydrophobicContact CG1-CD2 4.24Å; V886-L981 HydrophobicContact CG1-CG 4.4Å; Y890-L981 HydrophobicContact CE2-CD2 4.48Å; Y890-L981 HydrophobicContact CE2-CG 4.5Å; Y890-L981 WeakPolarHBondContact OH-CB 3.48Å; L955-L981 HydrophobicContact CD1-CD2 3.87Å; L955-L981 HydrophobicContact CD2-CD2 4.17Å; L955-L981 HydrophobicContact CG-CD2 4.44Å; L959-L981 HydrophobicContact CD1-CD2 4.29Å; I979-L981 VanDerWaalsContact C-N 3.33Å; I979-L981 PolarHBondContact O-N 3Å; L981-R983 VanDerWaalsContact C-N 3.3Å; L981-R983 PolarHBondContact O-N 2.8Å; L981-S984 PolarHBondContact O-N 3.2Å; L981-V985 HydrophobicContact CD1-CG2 4.14Å; L981-V985 HydrophobicContact CG-CG2 4.39Å; L981-V985 WeakPolarHBondContact O-CB 3.48Å; L981-V985 VanDerWaalsContact O-CG2 3.23Å; L981-V985 WeakPolarHBondContact O-CG2 3.32Å; L981-V985 PolarHBondContact O-N 2.63Å |
| 982 | L | 89.8 | Confident | 84 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 176.7 | -173.2 | 61.7 | 0 | 0 | 0 | 110.8 | M887 Y890 I979 V985 T986 L1015 L1019 | M887-L982 HydrophobicContact CG-CD1 4.1Å; Y890-L982 HydrophobicContact CD1-CB 4.43Å; Y890-L982 HydrophobicContact CD1-CD2 4.24Å; Y890-L982 HydrophobicContact CD2-CB 4.18Å; Y890-L982 HydrophobicContact CD2-CD1 3.79Å; Y890-L982 HydrophobicContact CD2-CG 4.42Å; Y890-L982 HydrophobicContact CE1-CB 4.05Å; Y890-L982 HydrophobicContact CE2-CB 3.78Å; Y890-L982 HydrophobicContact CE2-CD1 4.18Å; Y890-L982 HydrophobicContact CE2-CG 4.49Å; Y890-L982 HydrophobicContact CG-CB 4.48Å; Y890-L982 HydrophobicContact CG-CD1 4.1Å; Y890-L982 HydrophobicContact CG-CD2 4.29Å; Y890-L982 PolarHBondContact OH-N 3.2Å; I979-L982 WeakPolarHBondContact O-CA 3.41Å; I979-L982 WeakPolarHBondContact O-CB 3.2Å; I979-L982 PolarHBondContact O-N 2.92Å; L982-V985 PolarHBondContact O-N 2.65Å; L982-T986 WeakPolarHBondContact O-CG2 3.49Å; L982-T986 PolarHBondContact O-N 2.67Å; L982-T986 PolarHBondContact O-OG1 3.45Å; L982-L1015 HydrophobicContact CD1-CD1 4.31Å; L982-L1019 HydrophobicContact CD2-CB 4Å; L982-L1019 HydrophobicContact CD2-CD2 4.3Å; L982-L1019 HydrophobicContact CG-CD2 4.05Å |
| 983 | R | 89 | Confident | 84.5 | Confident | 89 Ų | 89 | 28.1 Ų | 28.1 | 34% | 0.336 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -56.8 | -53.5 | 174.6 | -173 | -177.9 | -69.3 | 137.3 | 2.1 | 111.2 | D976 I979 G980 L981 V985 T986 E987 L1019 E1022 | D976-R983 IonicContact OD1-CZ 3.86Å; D976-R983 IonicContact OD1-NH1 3.2Å; D976-R983 PolarHBondContact OD1-NH1 3.28Å; D976-R983 VanDerWaalsContact OD1-NH1 3.07Å; D976-R983 IonicContact OD1-NH2 3.15Å; I979-R983 PolarHBondContact O-N 3.48Å; G980-R983 WeakPolarHBondContact O-CB 3.31Å; G980-R983 PolarHBondContact O-N 2.97Å; L981-R983 VanDerWaalsContact C-N 3.3Å; L981-R983 PolarHBondContact O-N 2.8Å; R983-V985 VanDerWaalsContact C-N 3.32Å; R983-V985 PolarHBondContact O-N 2.95Å; R983-T986 PolarHBondContact O-N 3.02Å; R983-T986 PolarHBondContact O-OG1 2.87Å; R983-E987 PolarHBondContact O-N 3.41Å; R983-L1019 HydrophobicContact CB-CD1 4.33Å; R983-E1022 WeakPolarHBondContact CD-OE1 3.28Å; R983-E1022 HydrophobicContact CG-CG 4.18Å; R983-E1022 WeakPolarHBondContact CG-OE1 3.02Å; R983-E1022 IonicContact CZ-OE1 3.7Å; R983-E1022 IonicContact NE-OE1 2.72Å; R983-E1022 PolarHBondContact NE-OE1 3.23Å |
| 984 | S | 87.5 | Confident | 84.7 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.6 | -37.4 | 177.5 | -69.3 | 0 | 0 | 0 | 0 | 113.6 | Q834 T838 G980 L981 E987 C988 | Q834-S984 WeakPolarHBondContact CG-OG 3.01Å; Q834-S984 PolarHBondContact O-OG 3.07Å; T838-S984 VanDerWaalsContact OG1-CB 3.29Å; T838-S984 WeakPolarHBondContact OG1-CB 3.25Å; T838-S984 PolarHBondContact OG1-OG 3.35Å; G980-S984 PolarHBondContact O-N 2.76Å; G980-S984 VanDerWaalsContact O-N 3.11Å; L981-S984 PolarHBondContact O-N 3.2Å; S984-E987 PolarHBondContact O-N 2.85Å; S984-C988 WeakPolarHBondContact O-CB 3.4Å; S984-C988 PolarHBondContact O-N 3.44Å |
| 985 | V | 90.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | 175.4 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | L837 C883 V886 M887 L981 L982 R983 E987 C988 F989 | L837-V985 HydrophobicContact CD1-CG2 3.77Å; C883-V985 HydrophobicContact CB-CG1 3.79Å; V886-V985 HydrophobicContact CB-CG1 4.49Å; V886-V985 HydrophobicContact CB-CG2 4.12Å; V886-V985 HydrophobicContact CG1-CG2 3.85Å; M887-V985 HydrophobicContact CG-CG1 4.09Å; L981-V985 HydrophobicContact CD1-CG2 4.14Å; L981-V985 HydrophobicContact CG-CG2 4.39Å; L981-V985 WeakPolarHBondContact O-CB 3.48Å; L981-V985 VanDerWaalsContact O-CG2 3.23Å; L981-V985 WeakPolarHBondContact O-CG2 3.32Å; L981-V985 PolarHBondContact O-N 2.63Å; L982-V985 PolarHBondContact O-N 2.65Å; R983-V985 VanDerWaalsContact C-N 3.32Å; R983-V985 PolarHBondContact O-N 2.95Å; V985-E987 VanDerWaalsContact C-N 3.33Å; V985-E987 PolarHBondContact O-N 3.23Å; V985-C988 PolarHBondContact O-N 2.97Å; V985-F989 VanDerWaalsContact O-CB 3.29Å; V985-F989 WeakPolarHBondContact O-CB 3.42Å; V985-F989 PolarHBondContact O-N 2.66Å |
| 986 | T | 87.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66 | -35.3 | 178.6 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | L982 R983 S990 L1019 L1026 | L982-T986 WeakPolarHBondContact O-CG2 3.49Å; L982-T986 PolarHBondContact O-N 2.67Å; L982-T986 PolarHBondContact O-OG1 3.45Å; R983-T986 PolarHBondContact O-N 3.02Å; R983-T986 PolarHBondContact O-OG1 2.87Å; T986-S990 WeakPolarHBondContact O-CB 3.5Å; T986-S990 PolarHBondContact O-N 3.24Å; T986-S990 PolarHBondContact O-OG 2.94Å; T986-L1019 HydrophobicContact CG2-CD2 3.98Å; T986-L1026 HydrophobicContact CG2-CD2 4.45Å |
| 987 | E | 83.8 | Confident | 84.6 | Confident | 85 Ų | 85 | 18.9 Ų | 18.9 | 40% | 0.397 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -66.3 | -51.2 | 175 | -171.6 | 175.1 | -172.8 | 0 | 0 | 110.8 | R983 S984 V985 F989 S990 V991 | R983-E987 PolarHBondContact O-N 3.41Å; S984-E987 PolarHBondContact O-N 2.85Å; V985-E987 VanDerWaalsContact C-N 3.33Å; V985-E987 PolarHBondContact O-N 3.23Å; E987-F989 VanDerWaalsContact C-N 3.28Å; E987-F989 PolarHBondContact O-N 3.12Å; E987-S990 PolarHBondContact O-N 3.34Å; E987-V991 VanDerWaalsContact O-CG2 3.25Å; E987-V991 WeakPolarHBondContact O-CG2 3.24Å; E987-V991 PolarHBondContact O-N 3.41Å |
| 988 | C | 86.2 | Confident | 84.4 | Confident | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.7 | -39.5 | 176.4 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | S984 V985 V991 V992 | S984-C988 WeakPolarHBondContact O-CB 3.4Å; S984-C988 PolarHBondContact O-N 3.44Å; V985-C988 PolarHBondContact O-N 2.97Å; C988-V991 PolarHBondContact O-N 3.28Å; C988-V992 WeakPolarHBondContact O-CG2 3.42Å; C988-V992 PolarHBondContact O-N 2.84Å; C988-V992 VanDerWaalsContact O-N 3.14Å |
| 989 | F | 88.7 | Confident | 84 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.2 | -42.3 | 178.9 | -165.3 | -171.7 | 0 | 0 | 0 | 111.6 | I880 C883 M887 V985 E987 V991 V992 L993 L1026 | I880-F989 HydrophobicContact CB-CE2 4.5Å; I880-F989 HydrophobicContact CG1-CE2 4.15Å; I880-F989 HydrophobicContact CG2-CE2 4.12Å; I880-F989 HydrophobicContact CG2-CZ 4.41Å; C883-F989 HydrophobicContact CB-CB 4.03Å; C883-F989 HydrophobicContact CB-CD1 4.24Å; C883-F989 HydrophobicContact CB-CG 4.06Å; M887-F989 HydrophobicContact SD-CD1 4.03Å; M887-F989 HydrophobicContact SD-CE1 4.29Å; V985-F989 VanDerWaalsContact O-CB 3.29Å; V985-F989 WeakPolarHBondContact O-CB 3.42Å; V985-F989 PolarHBondContact O-N 2.66Å; E987-F989 VanDerWaalsContact C-N 3.28Å; E987-F989 PolarHBondContact O-N 3.12Å; F989-V991 PolarHBondContact O-N 2.88Å; F989-V992 PolarHBondContact O-N 3.41Å; F989-L993 HydrophobicContact CD2-CD1 4Å; F989-L993 HydrophobicContact CD2-CD2 4.4Å; F989-L993 HydrophobicContact CD2-CG 3.89Å; F989-L993 HydrophobicContact CE2-CD1 3.91Å; F989-L993 HydrophobicContact CE2-CD2 3.87Å; F989-L993 HydrophobicContact CE2-CG 3.83Å; F989-L993 HydrophobicContact CG-CD1 4.49Å; F989-L993 HydrophobicContact CZ-CD1 4.34Å; F989-L993 VanDerWaalsContact O-CG 3.32Å; F989-L993 WeakPolarHBondContact O-CG 3.46Å; F989-L993 PolarHBondContact O-N 3.47Å; F989-L993 VanDerWaalsContact O-N 3.08Å; F989-L1026 HydrophobicContact CB-CD1 4.08Å; F989-L1026 HydrophobicContact CD1-CD1 3.86Å; F989-L1026 HydrophobicContact CD1-CD2 3.85Å; F989-L1026 HydrophobicContact CD1-CG 4.48Å; F989-L1026 HydrophobicContact CE1-CD2 4.33Å; F989-L1026 HydrophobicContact CG-CD1 3.96Å |
| 990 | S | 84.6 | Confident | 83.7 | Confident | 15 Ų | 15 | 22.9 Ų | 22.9 | 11% | 0.105 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.6 | -37.5 | 173.9 | -58 | 0 | 0 | 0 | 0 | 111.3 | T986 E987 L993 E994 | T986-S990 WeakPolarHBondContact O-CB 3.5Å; T986-S990 PolarHBondContact O-N 3.24Å; T986-S990 PolarHBondContact O-OG 2.94Å; E987-S990 PolarHBondContact O-N 3.34Å; S990-L993 PolarHBondContact O-N 3.11Å; S990-E994 PolarHBondContact O-N 3.29Å |
| 991 | V | 81.3 | Confident | 83.5 | Confident | 16 Ų | 16 | 23 Ų | 23 | 10% | 0.097 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.7 | -47.5 | 177.2 | 178.9 | 0 | 0 | 0 | 0 | 113.5 | L731 G841 A845 E987 C988 F989 L993 E994 | L731-V991 HydrophobicContact CD1-CB 3.68Å; L731-V991 HydrophobicContact CD1-CG1 3.76Å; L731-V991 HydrophobicContact CD1-CG2 3.59Å; L731-V991 HydrophobicContact CD2-CG1 4.03Å; L731-V991 HydrophobicContact CD2-CG2 4.23Å; L731-V991 HydrophobicContact CG-CG2 4.37Å; G841-V991 WeakPolarHBondContact O-CG1 3.38Å; A845-V991 HydrophobicContact CB-CG1 4.01Å; E987-V991 VanDerWaalsContact O-CG2 3.25Å; E987-V991 WeakPolarHBondContact O-CG2 3.24Å; E987-V991 PolarHBondContact O-N 3.41Å; C988-V991 PolarHBondContact O-N 3.28Å; F989-V991 PolarHBondContact O-N 2.88Å; V991-L993 VanDerWaalsContact C-N 3.29Å; V991-L993 PolarHBondContact O-N 3.12Å; V991-E994 PolarHBondContact O-N 3.44Å |
| 992 | V | 84.2 | Confident | 83.1 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.7 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | L844 A876 L879 I880 C988 F989 E994 A995 C996 | L844-V992 HydrophobicContact CD2-CG2 3.61Å; A876-V992 HydrophobicContact CB-CG1 4.18Å; L879-V992 HydrophobicContact CB-CG2 4.09Å; L879-V992 HydrophobicContact CD1-CG2 4.13Å; I880-V992 HydrophobicContact CD1-CG1 3.98Å; I880-V992 HydrophobicContact CG1-CG1 3.76Å; C988-V992 WeakPolarHBondContact O-CG2 3.42Å; C988-V992 PolarHBondContact O-N 2.84Å; C988-V992 VanDerWaalsContact O-N 3.14Å; F989-V992 PolarHBondContact O-N 3.41Å; V992-E994 VanDerWaalsContact C-N 3.3Å; V992-E994 PolarHBondContact O-N 3.44Å; V992-A995 PolarHBondContact O-N 3.3Å; V992-C996 PolarHBondContact O-N 3.22Å; V992-C996 PolarHBondContact O-SG 3.29Å |
| 993 | L | 83.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66 | -26.3 | -178.5 | -69.2 | 177.6 | 0 | 0 | 0 | 113.8 | F989 S990 V991 A995 C996 L1001 L1026 Q1029 M1030 V1033 N1038 | F989-L993 HydrophobicContact CD2-CD1 4Å; F989-L993 HydrophobicContact CD2-CD2 4.4Å; F989-L993 HydrophobicContact CD2-CG 3.89Å; F989-L993 HydrophobicContact CE2-CD1 3.91Å; F989-L993 HydrophobicContact CE2-CD2 3.87Å; F989-L993 HydrophobicContact CE2-CG 3.83Å; F989-L993 HydrophobicContact CG-CD1 4.49Å; F989-L993 HydrophobicContact CZ-CD1 4.34Å; F989-L993 VanDerWaalsContact O-CG 3.32Å; F989-L993 WeakPolarHBondContact O-CG 3.46Å; F989-L993 PolarHBondContact O-N 3.47Å; F989-L993 VanDerWaalsContact O-N 3.08Å; S990-L993 PolarHBondContact O-N 3.11Å; V991-L993 VanDerWaalsContact C-N 3.29Å; V991-L993 PolarHBondContact O-N 3.12Å; L993-A995 PolarHBondContact O-N 2.89Å; L993-C996 PolarHBondContact O-N 3.31Å; L993-L1001 HydrophobicContact CD2-CB 4.46Å; L993-L1001 HydrophobicContact CD2-CD1 3.94Å; L993-L1001 HydrophobicContact CD2-CD2 4.4Å; L993-L1001 HydrophobicContact CD2-CG 4.5Å; L993-L1026 HydrophobicContact CD1-CD1 3.73Å; L993-Q1029 HydrophobicContact CB-CG 3.78Å; L993-M1030 HydrophobicContact CD1-CG 3.83Å; L993-V1033 HydrophobicContact CB-CG2 4.04Å; L993-V1033 HydrophobicContact CD2-CG2 4.49Å; L993-V1033 WeakPolarHBondContact O-CG2 3.37Å; L993-N1038 PolarHBondContact O-ND2 3.29Å |
| 994 | E | 78.8 | Confident | 82.1 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.019 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.4 | -29.7 | 175.1 | -167 | 72.9 | -147.9 | 0 | 0 | 112.3 | L731 S732 S990 V991 V992 Q1029 N1038 L1039 | L731-E994 HydrophobicContact CB-CB 4.3Å; L731-E994 HydrophobicContact CB-CG 3.88Å; L731-E994 HydrophobicContact CD1-CB 3.97Å; L731-E994 HydrophobicContact CD1-CG 4.44Å; S732-E994 VanDerWaalsContact CB-OE1 3.27Å; S732-E994 WeakPolarHBondContact CB-OE1 3.32Å; S732-E994 PolarHBondContact OG-OE1 2.72Å; S990-E994 PolarHBondContact O-N 3.29Å; V991-E994 PolarHBondContact O-N 3.44Å; V992-E994 VanDerWaalsContact C-N 3.3Å; V992-E994 PolarHBondContact O-N 3.44Å; E994-Q1029 PolarHBondContact OE2-NE2 2.84Å; E994-Q1029 PolarHBondContact OE2-OE1 3.45Å; E994-N1038 PolarHBondContact O-ND2 3.3Å; E994-L1039 HydrophobicContact CG-CB 3.84Å; E994-L1039 PolarHBondContact O-N 3.49Å; E994-L1039 PolarHBondContact OE1-N 2.98Å |
| 995 | A | 76.1 | Confident | 81.9 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -100.2 | -12 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I848 I866 L867 V992 L993 | I848-A995 HydrophobicContact CD1-CB 3.5Å; I848-A995 HydrophobicContact CG1-CB 3.89Å; I848-A995 HydrophobicContact CG2-CB 4.02Å; I866-A995 HydrophobicContact CG2-CB 4.29Å; L867-A995 HydrophobicContact CD2-CB 4.27Å; L867-A995 HydrophobicContact CG-CB 4.5Å; V992-A995 PolarHBondContact O-N 3.3Å; L993-A995 PolarHBondContact O-N 2.89Å |
| 996 | C | 79.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -78.5 | 145.9 | -177.4 | -74.5 | 0 | 0 | 0 | 0 | 113.5 | V992 L993 Y1000 N1038 S1040 | V992-C996 PolarHBondContact O-N 3.22Å; V992-C996 PolarHBondContact O-SG 3.29Å; L993-C996 PolarHBondContact O-N 3.31Å; C996-Y1000 HydrophobicContact CB-CG 4.48Å; C996-N1038 PolarHBondContact O-ND2 3.16Å; C996-S1040 PolarHBondContact O-OG 3.32Å | ||
| 997 | S | 76.3 | Confident | 81 | Confident | 40 Ų | 40 | 35.3 Ų | 35.3 | 28% | 0.28 | 18% | 0.182 | S | C | . | . | trans | -80.1 | 167.8 | 161.4 | 70.4 | 0 | 0 | 0 | 0 | 110.8 | D999 Y1000 | S997-D999 PolarHBondContact O-N 3.48Å; S997-D999 VanDerWaalsContact O-N 3.11Å; S997-D999 PolarHBondContact OG-OD2 3.1Å; S997-Y1000 PolarHBondContact O-N 3.27Å; S997-Y1000 WeakPolarHBondContact OG-CD2 3.32Å | ||
| 998 | I | 77.7 | Confident | 81 | Confident | 48 Ų | 48 | 31.3 Ų | 31.3 | 25% | 0.246 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.5 | -29.2 | 176.9 | -156.9 | 165.4 | 0 | 0 | 0 | 112.7 | Y1000 L1001 L1002 L1034 F1124 | I998-Y1000 VanDerWaalsContact C-N 3.3Å; I998-Y1000 PolarHBondContact O-N 3.2Å; I998-L1001 PolarHBondContact O-N 3.46Å; I998-L1002 WeakPolarHBondContact O-CB 3.22Å; I998-L1002 PolarHBondContact O-N 2.86Å; I998-L1034 HydrophobicContact CD1-CD2 3.77Å; I998-L1034 HydrophobicContact CG1-CD2 4.04Å; I998-F1124 HydrophobicContact CD1-CE1 3.86Å; I998-F1124 HydrophobicContact CD1-CZ 4.27Å |
| 999 | D | 78.3 | Confident | 81 | Confident | 111 Ų | 111 | 31.7 Ų | 31.7 | 59% | 0.594 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -63.6 | -32.1 | -177.6 | -49.3 | -58.4 | 0 | 0 | 0 | 113.4 | S997 P1003 | S997-D999 PolarHBondContact O-N 3.48Å; S997-D999 VanDerWaalsContact O-N 3.11Å; S997-D999 PolarHBondContact OG-OD2 3.1Å; D999-P1003 VanDerWaalsContact O-CD 3.29Å; D999-P1003 WeakPolarHBondContact O-CD 3.38Å |
| 1000 | Y | 80.6 | Confident | 80.8 | Confident | 54 Ų | 54 | 35.1 Ų | 35.1 | 21% | 0.212 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -76.7 | -34.4 | 179.1 | -71.3 | -93.1 | 0 | 0 | 0 | 112.1 | L867 N877 C996 S997 I998 | L867-Y1000 HydrophobicContact CD1-CE2 4.27Å; N877-Y1000 WeakPolarHBondContact OD1-CD1 3.17Å; C996-Y1000 HydrophobicContact CB-CG 4.48Å; S997-Y1000 PolarHBondContact O-N 3.27Å; S997-Y1000 WeakPolarHBondContact OG-CD2 3.32Å; I998-Y1000 VanDerWaalsContact C-N 3.3Å; I998-Y1000 PolarHBondContact O-N 3.2Å |
| 1001 | L | 81.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -85.2 | -33.6 | -177.3 | -179.5 | 59.8 | 0 | 0 | 0 | 112.4 | L993 I998 P1003 Y1004 L1005 M1030 V1033 | L993-L1001 HydrophobicContact CD2-CB 4.46Å; L993-L1001 HydrophobicContact CD2-CD1 3.94Å; L993-L1001 HydrophobicContact CD2-CD2 4.4Å; L993-L1001 HydrophobicContact CD2-CG 4.5Å; I998-L1001 PolarHBondContact O-N 3.46Å; L1001-P1003 VanDerWaalsContact C-N 3.32Å; L1001-Y1004 CarbonylContact O-C 3.58Å; L1001-Y1004 PolarHBondContact O-N 3.13Å; L1001-L1005 HydrophobicContact CD2-CD1 4.03Å; L1001-L1005 HydrophobicContact CG-CD1 4.09Å; L1001-L1005 PolarHBondContact O-N 3.05Å; L1001-M1030 HydrophobicContact CD1-CE 3.91Å; L1001-M1030 HydrophobicContact CD2-CB 4.18Å; L1001-M1030 HydrophobicContact CD2-CE 4.37Å; L1001-M1030 HydrophobicContact CD2-CG 4.23Å; L1001-V1033 HydrophobicContact CB-CG1 4.37Å; L1001-V1033 HydrophobicContact CD2-CB 4.18Å; L1001-V1033 HydrophobicContact CD2-CG1 4.13Å |
| 1002 | L | 79.7 | Confident | 81.2 | Confident | 69 Ų | 69 | 33.7 Ų | 33.7 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -52.3 | -39.4 | -174.1 | -161.2 | 69.8 | 0 | 0 | 0 | 114.3 | I998 Y1004 L1005 F1124 | I998-L1002 WeakPolarHBondContact O-CB 3.22Å; I998-L1002 PolarHBondContact O-N 2.86Å; L1002-Y1004 PolarHBondContact O-N 3.3Å; L1002-L1005 HydrophobicContact CD1-CD2 4.37Å; L1002-F1124 HydrophobicContact CD1-CZ 4.15Å |
| 1003 | P | 80.2 | Confident | 81.3 | Confident | 65 Ų | 65 | 37.7 Ų | 37.7 | 42% | 0.422 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -67.8 | -15.9 | 177.4 | -20.3 | 33.5 | 0 | 0 | 0 | 115.3 | D999 L1001 | D999-P1003 VanDerWaalsContact O-CD 3.29Å; D999-P1003 WeakPolarHBondContact O-CD 3.38Å; L1001-P1003 VanDerWaalsContact C-N 3.32Å |
| 1004 | Y | 78.7 | Confident | 81.3 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -118.1 | -2.9 | -176.2 | -58.2 | -81.9 | 0 | 0 | 0 | 112.8 | I880 F944 L1001 L1002 E1006 E1007 C1008 | I880-Y1004 HydrophobicContact CG2-CD2 3.7Å; I880-Y1004 HydrophobicContact CG2-CE2 3.75Å; I880-Y1004 HydrophobicContact CG2-CG 4.19Å; F944-Y1004 HydrophobicContact CZ-CD1 4.24Å; L1001-Y1004 CarbonylContact O-C 3.58Å; L1001-Y1004 PolarHBondContact O-N 3.13Å; L1002-Y1004 PolarHBondContact O-N 3.3Å; Y1004-E1006 PolarHBondContact O-N 3.17Å; Y1004-E1007 PolarHBondContact O-N 3.18Å; Y1004-C1008 VanDerWaalsContact O-CB 3.29Å; Y1004-C1008 WeakPolarHBondContact O-CB 3.18Å; Y1004-C1008 PolarHBondContact O-N 2.93Å; Y1004-C1008 PolarHBondContact O-SG 3.41Å |
| 1005 | L | 82.2 | Confident | 81.7 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62 | -49.3 | -166.5 | -178.4 | 66.3 | 0 | 0 | 0 | 112.6 | L1001 L1002 C1008 I1009 M1030 L1034 V1128 F1132 | L1001-L1005 HydrophobicContact CD2-CD1 4.03Å; L1001-L1005 HydrophobicContact CG-CD1 4.09Å; L1001-L1005 PolarHBondContact O-N 3.05Å; L1002-L1005 HydrophobicContact CD1-CD2 4.37Å; L1005-C1008 PolarHBondContact O-N 3.3Å; L1005-I1009 HydrophobicContact CD1-CD1 3.88Å; L1005-I1009 HydrophobicContact CD1-CG1 4.32Å; L1005-I1009 HydrophobicContact CG-CD1 3.94Å; L1005-I1009 VanDerWaalsContact O-CG1 3.25Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.47Å; L1005-I1009 PolarHBondContact O-N 3.06Å; L1005-M1030 HydrophobicContact CD1-CE 3.78Å; L1005-L1034 HydrophobicContact CD1-CD1 4.32Å; L1005-L1034 HydrophobicContact CD2-CD2 4.09Å; L1005-V1128 HydrophobicContact CD2-CG1 3.92Å; L1005-F1132 HydrophobicContact CD1-CE2 4.42Å; L1005-F1132 HydrophobicContact CD1-CZ 4.23Å |
| 1006 | E | 79 | Confident | 82.2 | Confident | 112 Ų | 112 | 40.5 Ų | 40.5 | 52% | 0.523 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 179.4 | -72.7 | -175 | -178.8 | 0 | 0 | 111.4 | Y1004 F1010 | Y1004-E1006 PolarHBondContact O-N 3.17Å; E1006-F1010 WeakPolarHBondContact O-CB 3.32Å; E1006-F1010 PolarHBondContact O-N 3.04Å; E1006-F1010 VanDerWaalsContact O-N 3.12Å |
| 1007 | E | 80.2 | Confident | 82.3 | Confident | 77 Ų | 77 | 45.8 Ų | 45.8 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 178.7 | -64.7 | 96.6 | 171 | 0 | 0 | 112.4 | F944 Y1004 F1010 L1011 | F944-E1007 HydrophobicContact CE2-CG 4.17Å; F944-E1007 HydrophobicContact CZ-CB 4.32Å; F944-E1007 HydrophobicContact CZ-CG 4.3Å; Y1004-E1007 PolarHBondContact O-N 3.18Å; E1007-F1010 PolarHBondContact O-N 3.3Å; E1007-L1011 WeakPolarHBondContact O-CB 3.45Å; E1007-L1011 VanDerWaalsContact O-CG 3.3Å; E1007-L1011 WeakPolarHBondContact O-CG 3.25Å; E1007-L1011 PolarHBondContact O-N 3.03Å |
| 1008 | C | 84.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -41.3 | 179.2 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | Y1004 L1005 F1010 L1011 C1012 M1030 | Y1004-C1008 VanDerWaalsContact O-CB 3.29Å; Y1004-C1008 WeakPolarHBondContact O-CB 3.18Å; Y1004-C1008 PolarHBondContact O-N 2.93Å; Y1004-C1008 PolarHBondContact O-SG 3.41Å; L1005-C1008 PolarHBondContact O-N 3.3Å; C1008-F1010 VanDerWaalsContact C-N 3.31Å; C1008-F1010 PolarHBondContact O-N 3.03Å; C1008-L1011 PolarHBondContact O-N 3.25Å; C1008-C1012 WeakPolarHBondContact O-CB 3.43Å; C1008-C1012 PolarHBondContact O-N 2.87Å; C1008-C1012 PolarHBondContact O-SG 3.11Å; C1008-M1030 HydrophobicContact CB-CE 3.46Å; C1008-M1030 VanDerWaalsContact CB-CE 3.46Å; C1008-M1030 HydrophobicContact CB-SD 4.4Å |
| 1009 | I | 84.7 | Confident | 83 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.4 | -67.4 | 168.2 | 0 | 0 | 0 | 110.4 | L1005 C1012 R1013 M1030 L1131 F1132 V1135 | L1005-I1009 HydrophobicContact CD1-CD1 3.88Å; L1005-I1009 HydrophobicContact CD1-CG1 4.32Å; L1005-I1009 HydrophobicContact CG-CD1 3.94Å; L1005-I1009 VanDerWaalsContact O-CG1 3.25Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.47Å; L1005-I1009 PolarHBondContact O-N 3.06Å; I1009-C1012 PolarHBondContact O-N 3.45Å; I1009-R1013 PolarHBondContact O-N 3.07Å; I1009-M1030 HydrophobicContact CG1-CE 4.2Å; I1009-L1131 HydrophobicContact CD1-CB 4Å; I1009-F1132 HydrophobicContact CD1-CD2 3.84Å; I1009-F1132 HydrophobicContact CD1-CE1 4.23Å; I1009-F1132 HydrophobicContact CD1-CE2 3.41Å; I1009-F1132 VanDerWaalsContact CD1-CE2 3.41Å; I1009-F1132 HydrophobicContact CD1-CG 4.4Å; I1009-F1132 HydrophobicContact CD1-CZ 3.64Å; I1009-F1132 HydrophobicContact CG1-CE1 4.2Å; I1009-F1132 HydrophobicContact CG1-CE2 4.25Å; I1009-F1132 HydrophobicContact CG1-CZ 3.98Å; I1009-V1135 HydrophobicContact CG2-CG2 3.76Å |
| 1010 | F | 85.9 | Confident | 83.1 | Confident | 71 Ų | 71 | 39.1 Ų | 39.1 | 31% | 0.311 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 174.3 | 172.6 | -100.2 | 0 | 0 | 0 | 111.9 | W891 F917 E1006 E1007 C1008 R1013 E1014 | W891-F1010 HydrophobicContact CD2-CE1 4.44Å; W891-F1010 AromaticContact CE2-CE1 3.83Å; W891-F1010 AromaticContact CE2-CZ 3.95Å; W891-F1010 HydrophobicContact CZ2-CE1 4.01Å; W891-F1010 AromaticContact CZ2-CZ 3.9Å; W891-F1010 HydrophobicContact CZ2-CZ 3.9Å; W891-F1010 AromaticContact NE1-CE1 3.81Å; W891-F1010 AromaticContact NE1-CZ 3.79Å; F917-F1010 HydrophobicContact CE1-CE1 4.09Å; F917-F1010 HydrophobicContact CE1-CZ 4.14Å; F917-F1010 HydrophobicContact CZ-CE1 4.43Å; E1006-F1010 WeakPolarHBondContact O-CB 3.32Å; E1006-F1010 PolarHBondContact O-N 3.04Å; E1006-F1010 VanDerWaalsContact O-N 3.12Å; E1007-F1010 PolarHBondContact O-N 3.3Å; C1008-F1010 VanDerWaalsContact C-N 3.31Å; C1008-F1010 PolarHBondContact O-N 3.03Å; F1010-R1013 WeakPolarHBondContact O-CB 3.3Å; F1010-R1013 PolarHBondContact O-N 3.23Å; F1010-E1014 HydrophobicContact CD2-CG 4.41Å; F1010-E1014 HydrophobicContact CE1-CG 4.26Å; F1010-E1014 HydrophobicContact CE2-CG 3.92Å; F1010-E1014 HydrophobicContact CZ-CG 3.84Å; F1010-E1014 WeakPolarHBondContact O-CG 3.49Å; F1010-E1014 PolarHBondContact O-N 2.7Å; F1010-E1014 VanDerWaalsContact O-N 3.14Å |
| 1011 | L | 86.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 177.6 | -72.5 | 169.9 | 0 | 0 | 0 | 112.1 | M887 Y888 W891 E1007 C1008 R1013 E1014 L1015 | M887-L1011 HydrophobicContact CB-CD1 4.12Å; M887-L1011 HydrophobicContact CE-CB 4.19Å; Y888-L1011 HydrophobicContact CD2-CD2 4.13Å; W891-L1011 HydrophobicContact CB-CD2 3.84Å; W891-L1011 HydrophobicContact CG-CD2 4.23Å; E1007-L1011 WeakPolarHBondContact O-CB 3.45Å; E1007-L1011 VanDerWaalsContact O-CG 3.3Å; E1007-L1011 WeakPolarHBondContact O-CG 3.25Å; E1007-L1011 PolarHBondContact O-N 3.03Å; C1008-L1011 PolarHBondContact O-N 3.25Å; L1011-R1013 VanDerWaalsContact C-N 3.3Å; L1011-R1013 PolarHBondContact O-N 3.43Å; L1011-E1014 PolarHBondContact O-N 3.48Å; L1011-L1015 VanDerWaalsContact O-CB 3.29Å; L1011-L1015 WeakPolarHBondContact O-CB 3.48Å; L1011-L1015 VanDerWaalsContact O-CG 3.27Å; L1011-L1015 WeakPolarHBondContact O-CG 3.45Å; L1011-L1015 PolarHBondContact O-N 3.25Å |
| 1012 | C | 87.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.1 | -43.6 | 175.6 | -73.9 | 0 | 0 | 0 | 0 | 111.2 | C1008 I1009 L1016 I1023 L1027 | C1008-C1012 WeakPolarHBondContact O-CB 3.43Å; C1008-C1012 PolarHBondContact O-N 2.87Å; C1008-C1012 PolarHBondContact O-SG 3.11Å; I1009-C1012 PolarHBondContact O-N 3.45Å; C1012-L1016 VanDerWaalsContact O-CB 3.32Å; C1012-L1016 WeakPolarHBondContact O-CB 3.46Å; C1012-L1016 PolarHBondContact O-N 3.08Å; C1012-I1023 HydrophobicContact CB-CG2 3.77Å; C1012-I1023 WeakPolarHBondContact O-CG2 3.43Å; C1012-L1027 HydrophobicContact CB-CD2 3.96Å; C1012-L1027 HydrophobicContact CB-CG 4.25Å |
| 1013 | R | 85.9 | Confident | 84 | Confident | 88 Ų | 88 | 37.3 Ų | 37.3 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.4 | -51.5 | 176.6 | -169.3 | -178.6 | 165.8 | -167 | -10.2 | 112.4 | I1009 F1010 L1011 L1016 V1135 E1138 | I1009-R1013 PolarHBondContact O-N 3.07Å; F1010-R1013 WeakPolarHBondContact O-CB 3.3Å; F1010-R1013 PolarHBondContact O-N 3.23Å; L1011-R1013 VanDerWaalsContact C-N 3.3Å; L1011-R1013 PolarHBondContact O-N 3.43Å; R1013-L1016 WeakPolarHBondContact O-CB 3.43Å; R1013-L1016 PolarHBondContact O-N 3.45Å; R1013-V1135 HydrophobicContact CB-CG1 4.33Å; R1013-V1135 HydrophobicContact CB-CG2 3.64Å; R1013-V1135 HydrophobicContact CG-CG2 3.94Å; R1013-E1138 WeakPolarHBondContact CG-OE2 3.41Å; R1013-E1138 IonicContact NE-OE2 2.95Å; R1013-E1138 PolarHBondContact NE-OE2 3.09Å |
| 1014 | E | 84.2 | Confident | 84.3 | Confident | 66 Ų | 66 | 34.2 Ų | 34.2 | 31% | 0.308 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72.1 | -31.7 | -174.5 | -65.2 | -68.8 | 134 | 0 | 0 | 112.5 | N895 F1010 L1011 | N895-E1014 PolarHBondContact ND2-OE2 2.86Å; F1010-E1014 HydrophobicContact CD2-CG 4.41Å; F1010-E1014 HydrophobicContact CE1-CG 4.26Å; F1010-E1014 HydrophobicContact CE2-CG 3.92Å; F1010-E1014 HydrophobicContact CZ-CG 3.84Å; F1010-E1014 WeakPolarHBondContact O-CG 3.49Å; F1010-E1014 PolarHBondContact O-N 2.7Å; F1010-E1014 VanDerWaalsContact O-N 3.14Å; L1011-E1014 PolarHBondContact O-N 3.48Å |
| 1015 | L | 88.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -87.1 | -12 | 178.9 | -62.4 | 175.4 | 0 | 0 | 0 | 113.1 | M887 L982 L1011 R1017 L1018 L1019 I1023 | M887-L1015 HydrophobicContact CB-CD1 4.09Å; M887-L1015 HydrophobicContact CE-CD1 4.1Å; M887-L1015 HydrophobicContact CG-CD1 4.45Å; L982-L1015 HydrophobicContact CD1-CD1 4.31Å; L1011-L1015 VanDerWaalsContact O-CB 3.29Å; L1011-L1015 WeakPolarHBondContact O-CB 3.48Å; L1011-L1015 VanDerWaalsContact O-CG 3.27Å; L1011-L1015 WeakPolarHBondContact O-CG 3.45Å; L1011-L1015 PolarHBondContact O-N 3.25Å; L1015-R1017 PolarHBondContact O-N 3.18Å; L1015-R1017 VanDerWaalsContact O-N 3.09Å; L1015-L1018 HydrophobicContact CD2-CD1 3.98Å; L1015-L1018 WeakPolarHBondContact O-CB 3.44Å; L1015-L1018 PolarHBondContact O-N 3.37Å; L1015-L1019 PolarHBondContact O-N 2.95Å; L1015-L1019 VanDerWaalsContact O-N 3.15Å; L1015-I1023 HydrophobicContact CB-CD1 3.43Å; L1015-I1023 VanDerWaalsContact CB-CD1 3.43Å; L1015-I1023 WeakPolarHBondContact O-CD1 3.45Å |
| 1016 | L | 86.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -35 | -176.7 | -173.6 | 65.1 | 0 | 0 | 0 | 112.8 | C1012 R1013 L1018 P1020 I1023 V1024 E1138 A1139 L1142 | C1012-L1016 VanDerWaalsContact O-CB 3.32Å; C1012-L1016 WeakPolarHBondContact O-CB 3.46Å; C1012-L1016 PolarHBondContact O-N 3.08Å; R1013-L1016 WeakPolarHBondContact O-CB 3.43Å; R1013-L1016 PolarHBondContact O-N 3.45Å; L1016-L1018 VanDerWaalsContact C-N 3.32Å; L1016-L1018 PolarHBondContact O-N 3.17Å; L1016-P1020 WeakPolarHBondContact O-CA 3.23Å; L1016-P1020 VanDerWaalsContact O-CB 3.29Å; L1016-P1020 WeakPolarHBondContact O-CB 3.43Å; L1016-I1023 HydrophobicContact CB-CG2 4.47Å; L1016-I1023 HydrophobicContact CD1-CB 4.13Å; L1016-I1023 HydrophobicContact CD1-CG2 3.77Å; L1016-V1024 HydrophobicContact CD1-CG2 3.94Å; L1016-E1138 HydrophobicContact CD2-CB 4.32Å; L1016-E1138 HydrophobicContact CD2-CG 4.2Å; L1016-A1139 HydrophobicContact CD2-CB 4.07Å; L1016-L1142 HydrophobicContact CD2-CD1 3.71Å; L1016-L1142 HydrophobicContact CG-CD1 3.83Å |
| 1017 | R | 80.5 | Confident | 85.1 | Confident | 111 Ų | 111 | 28.8 Ų | 28.8 | 42% | 0.419 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -19 | -179.5 | -60.2 | -178.9 | -171.1 | -177.2 | 5.8 | 113.8 | D31 L1015 E1138 | D31-R1017 IonicContact OD1-NH1 3.93Å; D31-R1017 PolarHBondContact OD1-NH1 3.22Å; D31-R1017 VanDerWaalsContact OD1-NH1 3.15Å; L1015-R1017 PolarHBondContact O-N 3.18Å; L1015-R1017 VanDerWaalsContact O-N 3.09Å; R1017-E1138 IonicContact CZ-OE1 3.82Å; R1017-E1138 IonicContact NE-OE1 3.41Å; R1017-E1138 PolarHBondContact NE-OE1 3.21Å; R1017-E1138 IonicContact NH2-OE1 3.54Å; R1017-E1138 PolarHBondContact NH2-OE1 2.89Å |
| 1018 | L | 83.4 | Confident | 85.3 | Confident | 19 Ų | 19 | 25.9 Ų | 25.9 | 10% | 0.099 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -46.5 | 176.3 | -79 | 160.1 | 0 | 0 | 0 | 111.6 | S894 Y966 F978 L1015 L1016 | S894-L1018 WeakPolarHBondContact OG-CD1 3.28Å; Y966-L1018 HydrophobicContact CE1-CD2 4.43Å; F978-L1018 HydrophobicContact CE1-CD2 4.18Å; L1015-L1018 HydrophobicContact CD2-CD1 3.98Å; L1015-L1018 WeakPolarHBondContact O-CB 3.44Å; L1015-L1018 PolarHBondContact O-N 3.37Å; L1016-L1018 VanDerWaalsContact C-N 3.32Å; L1016-L1018 PolarHBondContact O-N 3.17Å |
| 1019 | L | 84.4 | Confident | 85.2 | Confident | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -130.6 | 71.3 | -174.7 | -166.9 | 86.6 | 0 | 0 | 0 | 110.8 | I979 L982 R983 T986 L1015 T1021 E1022 I1023 | I979-L1019 HydrophobicContact CG2-CD1 3.22Å; I979-L1019 HydrophobicContact CG2-CG 4.44Å; L982-L1019 HydrophobicContact CD2-CB 4Å; L982-L1019 HydrophobicContact CD2-CD2 4.3Å; L982-L1019 HydrophobicContact CG-CD2 4.05Å; R983-L1019 HydrophobicContact CB-CD1 4.33Å; T986-L1019 HydrophobicContact CG2-CD2 3.98Å; L1015-L1019 PolarHBondContact O-N 2.95Å; L1015-L1019 VanDerWaalsContact O-N 3.15Å; L1019-T1021 PolarHBondContact O-N 3.28Å; L1019-E1022 WeakPolarHBondContact CD1-OE2 3.47Å; L1019-E1022 HydrophobicContact CD2-CB 3.55Å; L1019-E1022 HydrophobicContact CD2-CG 4.15Å; L1019-E1022 HydrophobicContact CG-CB 4Å; L1019-E1022 HydrophobicContact CG-CG 4.37Å; L1019-E1022 WeakPolarHBondContact CG-OE2 3.49Å; L1019-I1023 HydrophobicContact CB-CD1 4.08Å; L1019-I1023 HydrophobicContact CB-CG1 4.37Å; L1019-I1023 HydrophobicContact CD2-CG1 4.48Å; L1019-I1023 VanDerWaalsContact O-CB 3.29Å; L1019-I1023 WeakPolarHBondContact O-CB 3.47Å; L1019-I1023 WeakPolarHBondContact O-CD1 3.03Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.44Å; L1019-I1023 PolarHBondContact O-N 3.42Å |
| 1020 | P | 82 | Confident | 85.3 | Confident | 35 Ų | 35 | 25.5 Ų | 25.5 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.1 | -39.9 | -166 | 26.6 | -35.4 | 0 | 0 | 0 | 113.5 | L1016 V1024 Y1151 | L1016-P1020 WeakPolarHBondContact O-CA 3.23Å; L1016-P1020 VanDerWaalsContact O-CB 3.29Å; L1016-P1020 WeakPolarHBondContact O-CB 3.43Å; P1020-V1024 VanDerWaalsContact O-CG2 3.31Å; P1020-V1024 WeakPolarHBondContact O-CG2 3.17Å; P1020-V1024 PolarHBondContact O-N 2.79Å; P1020-Y1151 VanDerWaalsContact C-CD2 3.41Å; P1020-Y1151 HydrophobicContact CB-CD2 3.51Å; P1020-Y1151 HydrophobicContact CB-CE2 3.51Å; P1020-Y1151 HydrophobicContact CB-CG 4.21Å; P1020-Y1151 HydrophobicContact CG-CD2 4.31Å; P1020-Y1151 WeakPolarHBondContact O-CD2 3.5Å; P1020-Y1151 VanDerWaalsContact O-CE2 3.28Å; P1020-Y1151 WeakPolarHBondContact O-CE2 3.29Å |
| 1021 | T | 84.4 | Confident | 85.2 | Confident | 35 Ų | 35 | 22.2 Ų | 22.2 | 22% | 0.215 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70 | -52 | -173.7 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | L1019 V1024 G1025 D1150 Y1151 A1154 | L1019-T1021 PolarHBondContact O-N 3.28Å; T1021-V1024 PolarHBondContact O-N 3.39Å; T1021-G1025 PolarHBondContact O-N 3.36Å; T1021-G1025 VanDerWaalsContact O-N 3.07Å; T1021-D1150 HydrophobicContact CG2-CB 4Å; T1021-Y1151 PolarHBondContact OG1-N 2.87Å; T1021-A1154 HydrophobicContact CG2-CB 4.1Å |
| 1022 | E | 85.9 | Confident | 84.8 | Confident | 53 Ų | 53 | 22.6 Ų | 22.6 | 25% | 0.248 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -75 | -30.4 | -173.6 | -61.3 | 88.8 | 150.6 | 0 | 0 | 111.8 | R983 L1019 G1025 L1026 | R983-E1022 WeakPolarHBondContact CD-OE1 3.28Å; R983-E1022 HydrophobicContact CG-CG 4.18Å; R983-E1022 WeakPolarHBondContact CG-OE1 3.02Å; R983-E1022 IonicContact CZ-OE1 3.7Å; R983-E1022 IonicContact NE-OE1 2.72Å; R983-E1022 PolarHBondContact NE-OE1 3.23Å; L1019-E1022 WeakPolarHBondContact CD1-OE2 3.47Å; L1019-E1022 HydrophobicContact CD2-CB 3.55Å; L1019-E1022 HydrophobicContact CD2-CG 4.15Å; L1019-E1022 HydrophobicContact CG-CB 4Å; L1019-E1022 HydrophobicContact CG-CG 4.37Å; L1019-E1022 WeakPolarHBondContact CG-OE2 3.49Å; E1022-G1025 WeakPolarHBondContact O-CA 3.17Å; E1022-G1025 PolarHBondContact O-N 2.91Å; E1022-L1026 PolarHBondContact O-N 3.27Å |
| 1023 | I | 89 | Confident | 84.5 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 172.8 | -71 | 173.7 | 0 | 0 | 0 | 111.2 | C1012 L1015 L1016 L1019 G1025 L1026 L1027 | C1012-I1023 HydrophobicContact CB-CG2 3.77Å; C1012-I1023 WeakPolarHBondContact O-CG2 3.43Å; L1015-I1023 HydrophobicContact CB-CD1 3.43Å; L1015-I1023 VanDerWaalsContact CB-CD1 3.43Å; L1015-I1023 WeakPolarHBondContact O-CD1 3.45Å; L1016-I1023 HydrophobicContact CB-CG2 4.47Å; L1016-I1023 HydrophobicContact CD1-CB 4.13Å; L1016-I1023 HydrophobicContact CD1-CG2 3.77Å; L1019-I1023 HydrophobicContact CB-CD1 4.08Å; L1019-I1023 HydrophobicContact CB-CG1 4.37Å; L1019-I1023 HydrophobicContact CD2-CG1 4.48Å; L1019-I1023 VanDerWaalsContact O-CB 3.29Å; L1019-I1023 WeakPolarHBondContact O-CB 3.47Å; L1019-I1023 WeakPolarHBondContact O-CD1 3.03Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.44Å; L1019-I1023 PolarHBondContact O-N 3.42Å; I1023-G1025 VanDerWaalsContact C-N 3.28Å; I1023-G1025 PolarHBondContact O-N 3.38Å; I1023-L1026 PolarHBondContact O-N 3.45Å; I1023-L1027 HydrophobicContact CG2-CD1 4.21Å; I1023-L1027 HydrophobicContact CG2-CG 4.49Å; I1023-L1027 WeakPolarHBondContact O-CG 3.42Å; I1023-L1027 PolarHBondContact O-N 2.95Å |
| 1024 | V | 86.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 171.8 | 167.2 | 0 | 0 | 0 | 0 | 111 | L1016 P1020 T1021 L1027 T1028 A1139 Y1151 A1154 V1155 L1158 | L1016-V1024 HydrophobicContact CD1-CG2 3.94Å; P1020-V1024 VanDerWaalsContact O-CG2 3.31Å; P1020-V1024 WeakPolarHBondContact O-CG2 3.17Å; P1020-V1024 PolarHBondContact O-N 2.79Å; T1021-V1024 PolarHBondContact O-N 3.39Å; V1024-L1027 PolarHBondContact O-N 3.26Å; V1024-T1028 PolarHBondContact O-N 3.05Å; V1024-T1028 PolarHBondContact O-OG1 3.38Å; V1024-A1139 HydrophobicContact CG2-CB 4.31Å; V1024-Y1151 HydrophobicContact CG2-CD2 4.43Å; V1024-Y1151 HydrophobicContact CG2-CE2 3.63Å; V1024-A1154 HydrophobicContact CB-CB 4.26Å; V1024-A1154 HydrophobicContact CG1-CB 3.82Å; V1024-A1154 WeakPolarHBondContact CG1-O 2.86Å; V1024-V1155 HydrophobicContact CG1-CG2 4.35Å; V1024-V1155 HydrophobicContact CG2-CG2 4.26Å; V1024-L1158 HydrophobicContact CG1-CB 4.17Å; V1024-L1158 HydrophobicContact CG1-CD2 4.1Å |
| 1025 | G | 83 | Confident | 83.8 | Confident | 32 Ų | 32 | 16.4 Ų | 16.4 | 33% | 0.33 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -57.7 | -49.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1021 E1022 I1023 L1027 T1028 Q1029 | T1021-G1025 PolarHBondContact O-N 3.36Å; T1021-G1025 VanDerWaalsContact O-N 3.07Å; E1022-G1025 WeakPolarHBondContact O-CA 3.17Å; E1022-G1025 PolarHBondContact O-N 2.91Å; I1023-G1025 VanDerWaalsContact C-N 3.28Å; I1023-G1025 PolarHBondContact O-N 3.38Å; G1025-L1027 PolarHBondContact O-N 3.45Å; G1025-T1028 WeakPolarHBondContact O-CB 3.37Å; G1025-T1028 PolarHBondContact O-N 3.49Å; G1025-Q1029 PolarHBondContact O-N 2.7Å |
| 1026 | L | 87 | Confident | 83 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 177.5 | -175.7 | 65.6 | 0 | 0 | 0 | 112.1 | M887 T986 F989 L993 E1022 I1023 T1028 Q1029 M1030 | M887-L1026 HydrophobicContact CE-CD2 4.08Å; M887-L1026 HydrophobicContact SD-CD2 4.28Å; T986-L1026 HydrophobicContact CG2-CD2 4.45Å; F989-L1026 HydrophobicContact CB-CD1 4.08Å; F989-L1026 HydrophobicContact CD1-CD1 3.86Å; F989-L1026 HydrophobicContact CD1-CD2 3.85Å; F989-L1026 HydrophobicContact CD1-CG 4.48Å; F989-L1026 HydrophobicContact CE1-CD2 4.33Å; F989-L1026 HydrophobicContact CG-CD1 3.96Å; L993-L1026 HydrophobicContact CD1-CD1 3.73Å; E1022-L1026 PolarHBondContact O-N 3.27Å; I1023-L1026 PolarHBondContact O-N 3.45Å; L1026-T1028 PolarHBondContact O-N 3.49Å; L1026-Q1029 WeakPolarHBondContact O-CB 3.45Å; L1026-Q1029 PolarHBondContact O-N 3.43Å; L1026-Q1029 VanDerWaalsContact O-N 3.15Å; L1026-M1030 HydrophobicContact CG-SD 4.49Å; L1026-M1030 WeakPolarHBondContact O-CG 3.48Å; L1026-M1030 PolarHBondContact O-N 3.48Å |
| 1027 | L | 88 | Confident | 82.3 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 174.7 | -75 | 167.1 | 0 | 0 | 0 | 111.7 | C1012 I1023 V1024 G1025 Q1029 M1030 L1031 F1132 V1135 | C1012-L1027 HydrophobicContact CB-CD2 3.96Å; C1012-L1027 HydrophobicContact CB-CG 4.25Å; I1023-L1027 HydrophobicContact CG2-CD1 4.21Å; I1023-L1027 HydrophobicContact CG2-CG 4.49Å; I1023-L1027 WeakPolarHBondContact O-CG 3.42Å; I1023-L1027 PolarHBondContact O-N 2.95Å; V1024-L1027 PolarHBondContact O-N 3.26Å; G1025-L1027 PolarHBondContact O-N 3.45Å; L1027-Q1029 PolarHBondContact O-N 2.99Å; L1027-M1030 PolarHBondContact O-N 3.14Å; L1027-L1031 WeakPolarHBondContact O-CG 3.37Å; L1027-L1031 PolarHBondContact O-N 3.32Å; L1027-F1132 HydrophobicContact CD2-CD1 4.06Å; L1027-F1132 HydrophobicContact CD2-CE1 3.97Å; L1027-V1135 HydrophobicContact CD1-CG1 3.55Å; L1027-V1135 HydrophobicContact CD2-CG1 4.3Å |
| 1028 | T | 84.2 | Confident | 81.8 | Confident | 16 Ų | 16 | 11.9 Ų | 11.9 | 10% | 0.098 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.3 | -41.6 | 174.5 | -52.2 | 0 | 0 | 0 | 0 | 110.1 | V1024 G1025 L1026 L1031 K1032 | V1024-T1028 PolarHBondContact O-N 3.05Å; V1024-T1028 PolarHBondContact O-OG1 3.38Å; G1025-T1028 WeakPolarHBondContact O-CB 3.37Å; G1025-T1028 PolarHBondContact O-N 3.49Å; L1026-T1028 PolarHBondContact O-N 3.49Å; T1028-L1031 PolarHBondContact O-N 3.49Å; T1028-K1032 WeakPolarHBondContact O-CG 3.46Å; T1028-K1032 PolarHBondContact O-N 3.22Å |
| 1029 | Q | 82.6 | Confident | 81.1 | Confident | 3 Ų | 3 | 12.6 Ų | 12.6 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 178.5 | -162.8 | 55.1 | 40.6 | 0 | 0 | 113.2 | L993 E994 G1025 L1026 L1027 L1031 K1032 V1033 | L993-Q1029 HydrophobicContact CB-CG 3.78Å; E994-Q1029 PolarHBondContact OE2-NE2 2.84Å; E994-Q1029 PolarHBondContact OE2-OE1 3.45Å; G1025-Q1029 PolarHBondContact O-N 2.7Å; L1026-Q1029 WeakPolarHBondContact O-CB 3.45Å; L1026-Q1029 PolarHBondContact O-N 3.43Å; L1026-Q1029 VanDerWaalsContact O-N 3.15Å; L1027-Q1029 PolarHBondContact O-N 2.99Å; Q1029-L1031 VanDerWaalsContact C-N 3.33Å; Q1029-L1031 PolarHBondContact O-N 3.01Å; Q1029-K1032 WeakPolarHBondContact O-CB 3.46Å; Q1029-K1032 PolarHBondContact O-N 2.96Å; Q1029-V1033 WeakPolarHBondContact O-CG2 3.43Å; Q1029-V1033 PolarHBondContact O-N 3.46Å; Q1029-V1033 VanDerWaalsContact O-N 3.1Å |
| 1030 | M | 86.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 173.6 | -67.9 | 173.8 | 87.4 | 0 | 0 | 111.4 | L993 L1001 L1005 C1008 I1009 L1026 L1027 V1033 L1034 F1132 | L993-M1030 HydrophobicContact CD1-CG 3.83Å; L1001-M1030 HydrophobicContact CD1-CE 3.91Å; L1001-M1030 HydrophobicContact CD2-CB 4.18Å; L1001-M1030 HydrophobicContact CD2-CE 4.37Å; L1001-M1030 HydrophobicContact CD2-CG 4.23Å; L1005-M1030 HydrophobicContact CD1-CE 3.78Å; C1008-M1030 HydrophobicContact CB-CE 3.46Å; C1008-M1030 VanDerWaalsContact CB-CE 3.46Å; C1008-M1030 HydrophobicContact CB-SD 4.4Å; I1009-M1030 HydrophobicContact CG1-CE 4.2Å; L1026-M1030 HydrophobicContact CG-SD 4.49Å; L1026-M1030 WeakPolarHBondContact O-CG 3.48Å; L1026-M1030 PolarHBondContact O-N 3.48Å; L1027-M1030 PolarHBondContact O-N 3.14Å; M1030-V1033 PolarHBondContact O-N 3.16Å; M1030-L1034 WeakPolarHBondContact O-CG 3.4Å; M1030-L1034 PolarHBondContact O-N 3.11Å; M1030-L1034 VanDerWaalsContact O-N 3.1Å; M1030-F1132 HydrophobicContact CB-CE1 4.31Å; M1030-F1132 HydrophobicContact CB-CZ 4.24Å |
| 1031 | L | 83.7 | Confident | 79.4 | Confident | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.016 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 173.3 | -70.8 | 167.3 | 0 | 0 | 0 | 111.4 | L1027 T1028 Q1029 V1033 L1034 F1035 F1132 L1158 L1162 | L1027-L1031 WeakPolarHBondContact O-CG 3.37Å; L1027-L1031 PolarHBondContact O-N 3.32Å; T1028-L1031 PolarHBondContact O-N 3.49Å; Q1029-L1031 VanDerWaalsContact C-N 3.33Å; Q1029-L1031 PolarHBondContact O-N 3.01Å; L1031-V1033 VanDerWaalsContact C-N 3.31Å; L1031-V1033 PolarHBondContact O-N 3.22Å; L1031-L1034 PolarHBondContact O-N 3.42Å; L1031-L1034 VanDerWaalsContact O-N 3.15Å; L1031-F1035 HydrophobicContact CD2-CE2 3.95Å; L1031-F1035 VanDerWaalsContact O-CD2 3.3Å; L1031-F1035 WeakPolarHBondContact O-CD2 3.32Å; L1031-F1035 PolarHBondContact O-N 3.32Å; L1031-F1132 HydrophobicContact CD2-CD1 3.96Å; L1031-F1132 HydrophobicContact CD2-CD2 4.25Å; L1031-F1132 HydrophobicContact CD2-CE1 3.97Å; L1031-F1132 HydrophobicContact CD2-CE2 4.27Å; L1031-F1132 HydrophobicContact CD2-CG 4.1Å; L1031-F1132 HydrophobicContact CD2-CZ 4.13Å; L1031-F1132 HydrophobicContact CG-CD1 4.15Å; L1031-F1132 HydrophobicContact CG-CE1 3.96Å; L1031-F1132 HydrophobicContact CG-CZ 4.42Å; L1031-L1158 HydrophobicContact CD1-CD1 3.57Å; L1031-L1162 HydrophobicContact CD1-CD2 4.01Å |
| 1032 | K | 78.8 | Confident | 78.2 | Confident | 8 Ų | 8 | 15.9 Ų | 15.9 | 4% | 0.035 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58 | -42.2 | 175.5 | -73.6 | 175.6 | -177.9 | 174.1 | 0 | 112.6 | I728 T1028 Q1029 G1036 T1037 N1038 | I728-K1032 PolarHBondContact O-NZ 3.14Å; T1028-K1032 WeakPolarHBondContact O-CG 3.46Å; T1028-K1032 PolarHBondContact O-N 3.22Å; Q1029-K1032 WeakPolarHBondContact O-CB 3.46Å; Q1029-K1032 PolarHBondContact O-N 2.96Å; K1032-G1036 PolarHBondContact O-N 2.64Å; K1032-G1036 VanDerWaalsContact O-N 3.16Å; K1032-T1037 WeakPolarHBondContact CA-OG1 3.36Å; K1032-T1037 PolarHBondContact O-N 3.04Å; K1032-N1038 HydrophobicContact CB-CB 4.11Å; K1032-N1038 PolarHBondContact O-N 3.04Å |
| 1033 | V | 80.9 | Confident | 76.8 | Confident | 6 Ų | 6 | 16.2 Ų | 16.2 | 4% | 0.036 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.6 | 178 | 0 | 0 | 0 | 0 | 111.4 | L993 L1001 Q1029 M1030 L1031 G1036 | L993-V1033 HydrophobicContact CB-CG2 4.04Å; L993-V1033 HydrophobicContact CD2-CG2 4.49Å; L993-V1033 WeakPolarHBondContact O-CG2 3.37Å; L1001-V1033 HydrophobicContact CB-CG1 4.37Å; L1001-V1033 HydrophobicContact CD2-CB 4.18Å; L1001-V1033 HydrophobicContact CD2-CG1 4.13Å; Q1029-V1033 WeakPolarHBondContact O-CG2 3.43Å; Q1029-V1033 PolarHBondContact O-N 3.46Å; Q1029-V1033 VanDerWaalsContact O-N 3.1Å; M1030-V1033 PolarHBondContact O-N 3.16Å; L1031-V1033 VanDerWaalsContact C-N 3.31Å; L1031-V1033 PolarHBondContact O-N 3.22Å; V1033-G1036 PolarHBondContact O-N 3.45Å |
| 1034 | L | 80.2 | Confident | 75.1 | Confident | 12 Ų | 12 | 21.9 Ų | 21.9 | 6% | 0.063 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | -177.2 | -75 | 167.7 | 0 | 0 | 0 | 113.2 | I998 L1005 M1030 L1031 V1128 F1132 | I998-L1034 HydrophobicContact CD1-CD2 3.77Å; I998-L1034 HydrophobicContact CG1-CD2 4.04Å; L1005-L1034 HydrophobicContact CD1-CD1 4.32Å; L1005-L1034 HydrophobicContact CD2-CD2 4.09Å; M1030-L1034 WeakPolarHBondContact O-CG 3.4Å; M1030-L1034 PolarHBondContact O-N 3.11Å; M1030-L1034 VanDerWaalsContact O-N 3.1Å; L1031-L1034 PolarHBondContact O-N 3.42Å; L1031-L1034 VanDerWaalsContact O-N 3.15Å; L1034-V1128 HydrophobicContact CD1-CG1 3.75Å; L1034-V1128 HydrophobicContact CD2-CG1 3.91Å; L1034-V1128 HydrophobicContact CG-CG1 4.47Å; L1034-F1132 HydrophobicContact CD1-CE2 3.4Å; L1034-F1132 HydrophobicContact CD1-CZ 3.53Å |
| 1035 | F | 75 | Confident | 73.4 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 2.8 | -178.8 | -69.9 | -78.2 | 0 | 0 | 0 | 113.9 | L1031 T1037 Y1111 L1115 F1116 L1125 I1129 I1165 | L1031-F1035 HydrophobicContact CD2-CE2 3.95Å; L1031-F1035 VanDerWaalsContact O-CD2 3.3Å; L1031-F1035 WeakPolarHBondContact O-CD2 3.32Å; L1031-F1035 PolarHBondContact O-N 3.32Å; F1035-T1037 HydrophobicContact CB-CG2 4.35Å; F1035-Y1111 WeakPolarHBondContact O-CE1 3.4Å; F1035-Y1111 PolarHBondContact O-OH 3.34Å; F1035-Y1111 VanDerWaalsContact O-OH 3.08Å; F1035-L1115 WeakPolarHBondContact O-CD1 3.24Å; F1035-F1116 HydrophobicContact CE1-CZ 4.45Å; F1035-L1125 HydrophobicContact CD1-CD1 4.11Å; F1035-L1125 HydrophobicContact CD1-CD2 4.23Å; F1035-L1125 HydrophobicContact CE1-CB 4.35Å; F1035-L1125 HydrophobicContact CE1-CD1 4.11Å; F1035-L1125 HydrophobicContact CE1-CD2 4.14Å; F1035-L1125 HydrophobicContact CE1-CG 4.44Å; F1035-I1129 HydrophobicContact CE1-CD1 4.11Å; F1035-I1129 HydrophobicContact CE2-CG1 4.32Å; F1035-I1129 HydrophobicContact CZ-CD1 3.53Å; F1035-I1129 HydrophobicContact CZ-CG1 3.61Å; F1035-I1165 HydrophobicContact CB-CD1 4.45Å; F1035-I1165 HydrophobicContact CD1-CG2 3.56Å; F1035-I1165 HydrophobicContact CD2-CD1 3.67Å; F1035-I1165 HydrophobicContact CD2-CG1 4.42Å; F1035-I1165 HydrophobicContact CD2-CG2 4.06Å; F1035-I1165 HydrophobicContact CE1-CG2 3.37Å; F1035-I1165 HydrophobicContact CE2-CD1 4.07Å; F1035-I1165 HydrophobicContact CE2-CG2 3.9Å; F1035-I1165 HydrophobicContact CG-CD1 4.08Å; F1035-I1165 HydrophobicContact CG-CG1 4.38Å; F1035-I1165 HydrophobicContact CG-CG2 3.9Å; F1035-I1165 HydrophobicContact CZ-CG2 3.54Å |
| 1036 | G | 71.9 | Confident | 71.9 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 44.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1032 V1033 F1041 Y1111 | K1032-G1036 PolarHBondContact O-N 2.64Å; K1032-G1036 VanDerWaalsContact O-N 3.16Å; V1033-G1036 PolarHBondContact O-N 3.45Å; G1036-F1041 VanDerWaalsContact C-CB 3.48Å; G1036-F1041 WeakPolarHBondContact O-CB 3.3Å; G1036-F1041 WeakPolarHBondContact O-CD1 3.14Å; G1036-F1041 WeakPolarHBondContact O-CG 3.34Å; G1036-Y1111 WeakPolarHBondContact O-CE1 3.46Å; G1036-Y1111 PolarHBondContact O-OH 3.27Å |
| 1037 | T | 70.1 | Confident | 70 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | trans | -117.7 | 6 | 176 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | K1032 F1035 L1042 Y1108 Y1111 H1161 | K1032-T1037 WeakPolarHBondContact CA-OG1 3.36Å; K1032-T1037 PolarHBondContact O-N 3.04Å; F1035-T1037 HydrophobicContact CB-CG2 4.35Å; T1037-L1042 WeakPolarHBondContact O-CD1 3.32Å; T1037-Y1108 HydrophobicContact CG2-CD2 4.49Å; T1037-Y1108 HydrophobicContact CG2-CE2 3.46Å; T1037-Y1108 VanDerWaalsContact CG2-CE2 3.46Å; T1037-Y1111 HydrophobicContact CG2-CE1 4.34Å; T1037-H1161 PolarHBondContact OG1-CE1 3.02Å | ||
| 1038 | N | 71.5 | Confident | 67.6 | Low | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -76.9 | 164.7 | 165.7 | 69.1 | -17.9 | 0 | 0 | 0 | 111.1 | L993 E994 C996 K1032 S1040 F1041 L1042 | L993-N1038 PolarHBondContact O-ND2 3.29Å; E994-N1038 PolarHBondContact O-ND2 3.3Å; C996-N1038 PolarHBondContact O-ND2 3.16Å; K1032-N1038 HydrophobicContact CB-CB 4.11Å; K1032-N1038 PolarHBondContact O-N 3.04Å; N1038-S1040 PolarHBondContact ND2-OG 2.98Å; N1038-S1040 PolarHBondContact O-N 3.22Å; N1038-S1040 PolarHBondContact OD1-OG 3.2Å; N1038-F1041 PolarHBondContact O-N 3.46Å; N1038-L1042 PolarHBondContact O-N 3.37Å |
| 1039 | L | 67.7 | Low | 65.5 | Low | 35 Ų | 35 | 43 Ų | 43 | 18% | 0.183 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -48.7 | -36.3 | -179.7 | -170.6 | 68.8 | 0 | 0 | 0 | 113.7 | I848 M852 I866 E994 F1041 | I848-L1039 HydrophobicContact CG2-CD2 4.45Å; M852-L1039 HydrophobicContact CE-CD1 4.01Å; M852-L1039 HydrophobicContact CE-CD2 3.83Å; M852-L1039 HydrophobicContact CE-CG 3.89Å; I866-L1039 HydrophobicContact CD1-CG 4.18Å; E994-L1039 HydrophobicContact CG-CB 3.84Å; E994-L1039 PolarHBondContact O-N 3.49Å; E994-L1039 PolarHBondContact OE1-N 2.98Å; L1039-F1041 PolarHBondContact O-N 3.47Å |
| 1040 | S | 66.7 | Low | 63.2 | Low | 19 Ų | 19 | 47.6 Ų | 47.6 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.4 | -34.6 | 178.3 | 88.2 | 0 | 0 | 0 | 0 | 115 | C996 N1038 | C996-S1040 PolarHBondContact O-OG 3.32Å; N1038-S1040 PolarHBondContact ND2-OG 2.98Å; N1038-S1040 PolarHBondContact O-N 3.22Å; N1038-S1040 PolarHBondContact OD1-OG 3.2Å |
| 1041 | F | 63.6 | Low | 60.5 | Low | 64 Ų | 64 | 51.7 Ų | 51.7 | 28% | 0.281 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -102.2 | -39.7 | -171.4 | -165.6 | -74.9 | 0 | 0 | 0 | 112.3 | G1036 N1038 L1039 R1043 K1044 Q1045 Y1111 | G1036-F1041 VanDerWaalsContact C-CB 3.48Å; G1036-F1041 WeakPolarHBondContact O-CB 3.3Å; G1036-F1041 WeakPolarHBondContact O-CD1 3.14Å; G1036-F1041 WeakPolarHBondContact O-CG 3.34Å; N1038-F1041 PolarHBondContact O-N 3.46Å; L1039-F1041 PolarHBondContact O-N 3.47Å; F1041-R1043 PolarHBondContact O-N 3.38Å; F1041-R1043 VanDerWaalsContact O-N 3.15Å; F1041-K1044 WeakPolarHBondContact O-CB 3.39Å; F1041-K1044 PolarHBondContact O-N 3.13Å; F1041-Q1045 HydrophobicContact CD1-CG 4.35Å; F1041-Q1045 HydrophobicContact CE1-CG 3.9Å; F1041-Q1045 PolarHBondContact O-N 3.15Å; F1041-Y1111 HydrophobicContact CD1-CE1 4.01Å; F1041-Y1111 HydrophobicContact CD1-CE2 4.04Å; F1041-Y1111 AromaticContact CD1-CZ 3.5Å; F1041-Y1111 VanDerWaalsContact CD1-CZ 3.5Å; F1041-Y1111 VanDerWaalsContact CD1-OH 3.22Å; F1041-Y1111 WeakPolarHBondContact CD1-OH 3.47Å; F1041-Y1111 AromaticContact CE1-CD2 3.98Å; F1041-Y1111 HydrophobicContact CE1-CD2 3.98Å; F1041-Y1111 AromaticContact CE1-CE1 3.86Å; F1041-Y1111 HydrophobicContact CE1-CE1 3.86Å; F1041-Y1111 AromaticContact CE1-CE2 3.08Å; F1041-Y1111 HydrophobicContact CE1-CE2 3.08Å; F1041-Y1111 AromaticContact CE1-CZ 2.99Å; F1041-Y1111 WeakPolarHBondContact CE1-OH 3.27Å; F1041-Y1111 WeakPolarHBondContact CE2-OH 3.47Å; F1041-Y1111 AromaticContact CZ-CE2 3.37Å; F1041-Y1111 HydrophobicContact CZ-CE2 3.37Å; F1041-Y1111 AromaticContact CZ-CZ 3.44Å; F1041-Y1111 VanDerWaalsContact CZ-CZ 3.44Å; F1041-Y1111 WeakPolarHBondContact CZ-OH 3.22Å |
| 1042 | L | 60.5 | Low | 58 | Low | 60 Ų | 60 | 62.5 Ų | 62.5 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.1 | -35.6 | 178.8 | -71.8 | 170.8 | 0 | 0 | 0 | 112.3 | T1037 N1038 Q1045 Q1046 | T1037-L1042 WeakPolarHBondContact O-CD1 3.32Å; N1038-L1042 PolarHBondContact O-N 3.37Å; L1042-Q1045 PolarHBondContact O-N 3.2Å; L1042-Q1046 PolarHBondContact O-N 2.98Å; L1042-Q1046 VanDerWaalsContact O-N 3.15Å |
| 1043 | R | 54.9 | Low | 55.6 | Low | 60 Ų | 60 | 65.9 Ų | 65.9 | 23% | 0.226 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -75 | -30.1 | 179.1 | -156.3 | 171.6 | -167.7 | -141.2 | 3.4 | 114.1 | M852 F1041 Q1045 Q1046 F1047 | M852-R1043 VanDerWaalsContact C-NH1 3.33Å; M852-R1043 VanDerWaalsContact O-CZ 3.26Å; M852-R1043 PolarHBondContact O-NH1 3.08Å; M852-R1043 PolarHBondContact O-NH2 2.7Å; M852-R1043 WeakPolarHBondContact SD-CD 3.33Å; M852-R1043 PolarHBondContact SD-NH1 3.27Å; F1041-R1043 PolarHBondContact O-N 3.38Å; F1041-R1043 VanDerWaalsContact O-N 3.15Å; R1043-Q1045 PolarHBondContact O-N 3.24Å; R1043-Q1046 PolarHBondContact O-N 3.42Å; R1043-F1047 PolarHBondContact O-N 3.06Å |
| 1044 | K | 53.5 | Low | 53.1 | Low | 119 Ų | 119 | 71.1 Ų | 71.1 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -25 | 171.7 | -74.4 | -171.9 | 175.7 | -171.3 | 0 | 111.5 | F1041 | F1041-K1044 WeakPolarHBondContact O-CB 3.39Å; F1041-K1044 PolarHBondContact O-N 3.13Å |
| 1045 | Q | 50.7 | Low | 50.5 | Low | 62 Ų | 62 | 79.5 Ų | 79.5 | 29% | 0.29 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -88.2 | -40.5 | 176.9 | -63.8 | -164.8 | -44.2 | 0 | 0 | 113.9 | F1041 L1042 R1043 F1047 N1048 | F1041-Q1045 HydrophobicContact CD1-CG 4.35Å; F1041-Q1045 HydrophobicContact CE1-CG 3.9Å; F1041-Q1045 PolarHBondContact O-N 3.15Å; L1042-Q1045 PolarHBondContact O-N 3.2Å; R1043-Q1045 PolarHBondContact O-N 3.24Å; Q1045-F1047 PolarHBondContact O-N 3.15Å; Q1045-N1048 WeakPolarHBondContact O-CB 3.34Å; Q1045-N1048 PolarHBondContact O-N 3.47Å |
| 1046 | Q | 51.6 | Low | 48.4 | Very low | 73 Ų | 73 | 84.8 Ų | 84.8 | 34% | 0.341 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.6 | -28.6 | -179.7 | -76.8 | 179.7 | -21.1 | 0 | 0 | 113.5 | L1042 R1043 N1048 A1049 V1050 | L1042-Q1046 PolarHBondContact O-N 2.98Å; L1042-Q1046 VanDerWaalsContact O-N 3.15Å; R1043-Q1046 PolarHBondContact O-N 3.42Å; Q1046-N1048 PolarHBondContact O-N 2.84Å; Q1046-N1048 VanDerWaalsContact O-N 3.1Å; Q1046-A1049 PolarHBondContact O-N 3.47Å; Q1046-V1050 WeakPolarHBondContact O-CG2 3.42Å; Q1046-V1050 PolarHBondContact O-N 2.99Å |
| 1047 | F | 47 | Very low | 46.4 | Very low | 142 Ų | 142 | 90.9 Ų | 90.9 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.2 | 173.2 | -100.7 | -82.1 | 0 | 0 | 0 | 114 | R1043 Q1045 | R1043-F1047 PolarHBondContact O-N 3.06Å; Q1045-F1047 PolarHBondContact O-N 3.15Å |
| 1048 | N | 39.1 | Very low | 44.5 | Very low | 153 Ų | 153 | 99.8 Ų | 99.8 | 82% | 0.818 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -12.7 | 175.5 | -69.4 | -25.5 | 0 | 0 | 0 | 114.1 | Q1045 Q1046 | Q1045-N1048 WeakPolarHBondContact O-CB 3.34Å; Q1045-N1048 PolarHBondContact O-N 3.47Å; Q1046-N1048 PolarHBondContact O-N 2.84Å; Q1046-N1048 VanDerWaalsContact O-N 3.1Å |
| 1049 | A | 38.3 | Very low | 42.7 | Very low | 63 Ų | 63 | 104.2 Ų | 104.2 | 52% | 0.521 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.8 | -20.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1046 A1051 | Q1046-A1049 PolarHBondContact O-N 3.47Å; A1049-A1051 PolarHBondContact O-N 3.28Å |
| 1050 | V | 34.9 | Very low | 41 | Very low | 98 Ų | 98 | 107.1 Ų | 107.1 | 59% | 0.594 | 57% | 0.569 | S | S | * | * | trans | -94 | 74 | -175.4 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | Q1046 C1053 | Q1046-V1050 WeakPolarHBondContact O-CG2 3.42Å; Q1046-V1050 PolarHBondContact O-N 2.99Å; V1050-C1053 HydrophobicContact CG1-CB 3.86Å | ||
| 1051 | A | 30.4 | Very low | 39.5 | Very low | 87 Ų | 87 | 112 Ų | 112 | 72% | 0.719 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -97.8 | -5.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1049 | A1049-A1051 PolarHBondContact O-N 3.28Š|
| 1052 | Y | 30.3 | Very low | 38.3 | Very low | 230 Ų | 230 | 113.3 Ų | 113.3 | 90% | 0.902 | 60% | 0.604 | S | S | * | * | trans | -138.7 | 74.8 | -179 | -73.6 | -87.9 | 0 | 0 | 0 | 110.9 | ||||
| 1053 | C | 28.2 | Very low | 37.5 | Very low | 79 Ų | 79 | 116 Ų | 116 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | trans | -121.3 | 122.8 | 158.9 | -151.3 | 0 | 0 | 0 | 0 | 106 | V1050 K1055 | V1050-C1053 HydrophobicContact CG1-CB 3.86Å; C1053-K1055 PolarHBondContact O-N 3.47Å; C1053-K1055 VanDerWaalsContact O-N 3.17Å | ||
| 1054 | P | 29 | Very low | 37.1 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 75% | 0.753 | 64% | 0.636 | S | S | * | * | trans | -60.9 | 125.2 | 176.6 | 25.4 | -29.9 | 0 | 0 | 0 | 107.4 | ||||
| 1055 | K | 25.7 | Very low | 37.1 | Very low | 187 Ų | 187 | 112 Ų | 112 | 81% | 0.813 | 62% | 0.616 | S | S | * | * | trans | -45.9 | 130.6 | 176.1 | -68.5 | 176.6 | 178.8 | 176.2 | 0 | 108.3 | C1053 V1057 | C1053-K1055 PolarHBondContact O-N 3.47Å; C1053-K1055 VanDerWaalsContact O-N 3.17Å; K1055-V1057 PolarHBondContact O-N 3.18Å | ||
| 1056 | P | 31.4 | Very low | 37.2 | Very low | 118 Ų | 118 | 111.9 Ų | 111.9 | 77% | 0.766 | 63% | 0.625 | S | S | * | * | trans | -53.1 | 125.5 | 168.4 | 22.9 | -30.9 | 0 | 0 | 0 | 106.5 | K1058 | P1056-K1058 PolarHBondContact O-N 3.34Š| ||
| 1057 | V | 29.1 | Very low | 37.9 | Very low | 133 Ų | 133 | 112.5 Ų | 112.5 | 81% | 0.806 | 63% | 0.627 | S | S | * | * | trans | -45.9 | 121.5 | 174.4 | 174.6 | 0 | 0 | 0 | 0 | 106 | K1055 V1059 | K1055-V1057 PolarHBondContact O-N 3.18Å; V1057-V1059 PolarHBondContact O-N 3.46Å | ||
| 1058 | K | 31.3 | Very low | 38.9 | Very low | 197 Ų | 197 | 106 Ų | 106 | 86% | 0.857 | 60% | 0.599 | S | S | * | * | trans | -46.4 | 106.7 | -178.3 | -82.5 | -177.5 | 174.3 | -178.1 | 0 | 108 | P1056 V1060 | P1056-K1058 PolarHBondContact O-N 3.34Å; K1058-V1060 PolarHBondContact O-N 2.93Å | ||
| 1059 | V | 33 | Very low | 40.4 | Very low | 94 Ų | 94 | 101.8 Ų | 101.8 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | trans | -61.6 | 108.2 | 172.5 | 177.8 | 0 | 0 | 0 | 0 | 104.6 | V1057 T1061 | V1057-V1059 PolarHBondContact O-N 3.46Å; V1059-T1061 PolarHBondContact O-N 3.32Å; V1059-T1061 VanDerWaalsContact O-N 3.08Å | ||
| 1060 | V | 32.5 | Very low | 41.8 | Very low | 95 Ų | 95 | 100.9 Ų | 100.9 | 58% | 0.576 | 57% | 0.567 | S | S | * | * | trans | -54.4 | 118.6 | 168.7 | 176.3 | 0 | 0 | 0 | 0 | 104.6 | K1058 F1062 | K1058-V1060 PolarHBondContact O-N 2.93Å; V1060-F1062 HydrophobicContact CB-CD2 4.33Å; V1060-F1062 HydrophobicContact CB-CE2 3.97Å; V1060-F1062 HydrophobicContact CB-CZ 4.31Å; V1060-F1062 HydrophobicContact CG1-CE2 4.46Å; V1060-F1062 HydrophobicContact CG1-CZ 4.49Å; V1060-F1062 WeakPolarHBondContact O-CD2 3.46Å; V1060-F1062 PolarHBondContact O-N 2.92Å | ||
| 1061 | T | 34.2 | Very low | 43.5 | Very low | 122 Ų | 122 | 96.8 Ų | 96.8 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | trans | -60.6 | 93.4 | 174.5 | 43.9 | 0 | 0 | 0 | 0 | 107.4 | V1059 T1063 | V1059-T1061 PolarHBondContact O-N 3.32Å; V1059-T1061 VanDerWaalsContact O-N 3.08Å; T1061-T1063 PolarHBondContact O-N 3.49Å | ||
| 1062 | F | 38.9 | Very low | 45.6 | Very low | 91 Ų | 91 | 92.8 Ų | 92.8 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | trans | -72.3 | 114.9 | 178.2 | -79.6 | -80.5 | 0 | 0 | 0 | 107.7 | L745 V1060 | L745-F1062 HydrophobicContact CD2-CB 4.38Å; V1060-F1062 HydrophobicContact CB-CD2 4.33Å; V1060-F1062 HydrophobicContact CB-CE2 3.97Å; V1060-F1062 HydrophobicContact CB-CZ 4.31Å; V1060-F1062 HydrophobicContact CG1-CE2 4.46Å; V1060-F1062 HydrophobicContact CG1-CZ 4.49Å; V1060-F1062 WeakPolarHBondContact O-CD2 3.46Å; V1060-F1062 PolarHBondContact O-N 2.92Å | ||
| 1063 | T | 44.3 | Very low | 47.6 | Very low | 116 Ų | 116 | 84.6 Ų | 84.6 | 71% | 0.712 | 49% | 0.487 | S | S | * | . | trans | -59.7 | 147.9 | 162.7 | 44.7 | 0 | 0 | 0 | 0 | 108.8 | T1061 I1065 | T1061-T1063 PolarHBondContact O-N 3.49Å; T1063-I1065 PolarHBondContact O-N 2.66Å | ||
| 1064 | P | 44.7 | Very low | 49.3 | Very low | 77 Ų | 77 | 81.5 Ų | 81.5 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | trans | -47.1 | 126.8 | -177.9 | 17.6 | -30.7 | 0 | 0 | 0 | 110.1 | V697 A1066 | V697-P1064 HydrophobicContact CG1-CG 3.93Å; P1064-A1066 PolarHBondContact O-N 3.13Å | ||
| 1065 | I | 53.5 | Low | 51.5 | Low | 20 Ų | 20 | 76.5 Ų | 76.5 | 10% | 0.103 | 43% | 0.434 | C | S | . | . | trans | -60.7 | 100.6 | -172.3 | -61.4 | 175.5 | 0 | 0 | 0 | 108.3 | L702 L745 T1063 K1067 A1070 F1071 | L702-I1065 HydrophobicContact CD1-CG2 3.93Å; L745-I1065 HydrophobicContact CD1-CD1 3.81Å; L745-I1065 HydrophobicContact CD2-CD1 3.52Å; L745-I1065 HydrophobicContact CD2-CG1 3.8Å; L745-I1065 HydrophobicContact CG-CD1 4.29Å; T1063-I1065 PolarHBondContact O-N 2.66Å; I1065-K1067 VanDerWaalsContact CG2-O 3.25Å; I1065-K1067 WeakPolarHBondContact CG2-O 3.36Å; I1065-A1070 HydrophobicContact CG2-CB 4.42Å; I1065-F1071 HydrophobicContact CD1-CD2 4.17Å; I1065-F1071 HydrophobicContact CG2-CB 3.96Å | ||
| 1066 | A | 53.5 | Low | 53.8 | Low | 58 Ų | 58 | 72.1 Ų | 72.1 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | trans | -91.8 | -2.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1064 | P1064-A1066 PolarHBondContact O-N 3.13Š| ||
| 1067 | K | 65.6 | Low | 55.6 | Low | 87 Ų | 87 | 69.3 Ų | 69.3 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -141.5 | 136.5 | -167.1 | -62.3 | -174.1 | 175.1 | -134.1 | 0 | 112.2 | I1065 E1069 A1070 F1071 D1530 E1531 P1532 | I1065-K1067 VanDerWaalsContact CG2-O 3.25Å; I1065-K1067 WeakPolarHBondContact CG2-O 3.36Å; K1067-E1069 VanDerWaalsContact C-N 3.33Å; K1067-E1069 PolarHBondContact O-N 3.1Å; K1067-A1070 PolarHBondContact O-N 3.09Å; K1067-F1071 PolarHBondContact O-N 3.06Å; K1067-D1530 PolarHBondContact NZ-O 2.82Å; K1067-E1531 WeakPolarHBondContact CB-OE2 3.47Å; K1067-P1532 HydrophobicContact CD-CG 4.2Å |
| 1068 | V | 68.9 | Low | 57.7 | Low | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66 | -34.5 | -174.6 | 173.1 | 0 | 0 | 0 | 0 | 112.3 | L702 A1070 F1071 V1072 K1494 E1531 | L702-V1068 HydrophobicContact CD1-CG2 3.95Å; L702-V1068 HydrophobicContact CD2-CG2 3.91Å; L702-V1068 HydrophobicContact CG-CG2 4.17Å; V1068-A1070 VanDerWaalsContact C-N 3.33Å; V1068-A1070 PolarHBondContact O-N 2.91Å; V1068-F1071 WeakPolarHBondContact O-CB 3.42Å; V1068-F1071 PolarHBondContact O-N 3.15Å; V1068-F1071 VanDerWaalsContact O-N 3.12Å; V1068-V1072 HydrophobicContact CG1-CG2 4.01Å; V1068-V1072 WeakPolarHBondContact O-CG2 3.28Å; V1068-V1072 PolarHBondContact O-N 3.37Å; V1068-K1494 HydrophobicContact CB-CB 4.26Å; V1068-K1494 HydrophobicContact CB-CD 4.34Å; V1068-K1494 HydrophobicContact CG1-CB 4.25Å; V1068-K1494 HydrophobicContact CG2-CB 3.89Å; V1068-K1494 HydrophobicContact CG2-CD 3.37Å; V1068-K1494 HydrophobicContact CG2-CG 4.26Å; V1068-E1531 PolarHBondContact N-OE1 3.26Å; V1068-E1531 VanDerWaalsContact N-OE1 3.15Å; V1068-E1531 PolarHBondContact N-OE2 3.24Å |
| 1069 | E | 69.9 | Low | 59.7 | Low | 65 Ų | 65 | 54 Ų | 54 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 179.5 | -172 | 172.2 | 161.3 | 0 | 0 | 112.4 | K1067 F1071 V1072 A1073 T1498 P1532 S1533 | K1067-E1069 VanDerWaalsContact C-N 3.33Å; K1067-E1069 PolarHBondContact O-N 3.1Å; E1069-F1071 VanDerWaalsContact C-N 3.34Å; E1069-F1071 PolarHBondContact O-N 2.85Å; E1069-V1072 PolarHBondContact O-N 3.45Å; E1069-A1073 WeakPolarHBondContact O-CB 3.26Å; E1069-A1073 PolarHBondContact O-N 2.82Å; E1069-T1498 HydrophobicContact CB-CG2 4.02Å; E1069-T1498 HydrophobicContact CG-CG2 4.02Å; E1069-P1532 WeakPolarHBondContact OE2-CG 3.47Å; E1069-S1533 PolarHBondContact OE2-N 2.91Å; E1069-S1533 PolarHBondContact OE2-OG 3.22Å |
| 1070 | A | 67.5 | Low | 61.6 | Low | 43 Ų | 43 | 51.8 Ų | 51.8 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1065 K1067 V1068 A1074 | I1065-A1070 HydrophobicContact CG2-CB 4.42Å; K1067-A1070 PolarHBondContact O-N 3.09Å; V1068-A1070 VanDerWaalsContact C-N 3.33Å; V1068-A1070 PolarHBondContact O-N 2.91Å; A1070-A1074 VanDerWaalsContact O-CB 3.29Å; A1070-A1074 WeakPolarHBondContact O-CB 3.26Å; A1070-A1074 PolarHBondContact O-N 2.81Å |
| 1071 | F | 71 | Confident | 63.3 | Low | 12 Ų | 12 | 51.9 Ų | 51.9 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 173.3 | -177.6 | -98 | 0 | 0 | 0 | 111.9 | L702 L705 T706 Y709 I1065 K1067 V1068 E1069 A1073 A1074 Y1075 F1459 | L702-F1071 HydrophobicContact CD2-CB 3.86Å; L702-F1071 HydrophobicContact CD2-CD1 4.31Å; L702-F1071 HydrophobicContact CD2-CD2 4.43Å; L702-F1071 HydrophobicContact CD2-CG 3.93Å; L705-F1071 HydrophobicContact CD2-CD1 4.34Å; L705-F1071 HydrophobicContact CD2-CE1 3.39Å; L705-F1071 HydrophobicContact CD2-CE2 4.35Å; L705-F1071 HydrophobicContact CD2-CZ 3.42Å; L705-F1071 VanDerWaalsContact CD2-CZ 3.42Å; T706-F1071 WeakPolarHBondContact OG1-CE2 3.35Å; Y709-F1071 HydrophobicContact CD2-CZ 4.24Å; I1065-F1071 HydrophobicContact CD1-CD2 4.17Å; I1065-F1071 HydrophobicContact CG2-CB 3.96Å; K1067-F1071 PolarHBondContact O-N 3.06Å; V1068-F1071 WeakPolarHBondContact O-CB 3.42Å; V1068-F1071 PolarHBondContact O-N 3.15Å; V1068-F1071 VanDerWaalsContact O-N 3.12Å; E1069-F1071 VanDerWaalsContact C-N 3.34Å; E1069-F1071 PolarHBondContact O-N 2.85Å; F1071-A1073 VanDerWaalsContact C-N 3.35Å; F1071-A1073 PolarHBondContact O-N 3Å; F1071-A1074 PolarHBondContact O-N 2.91Å; F1071-Y1075 WeakPolarHBondContact O-CB 3.44Å; F1071-Y1075 PolarHBondContact O-N 3.16Å; F1071-F1459 HydrophobicContact CD1-CE2 4.15Å; F1071-F1459 HydrophobicContact CD1-CZ 4.13Å; F1071-F1459 HydrophobicContact CE1-CE1 4.38Å; F1071-F1459 AromaticContact CE1-CE2 3.79Å; F1071-F1459 HydrophobicContact CE1-CE2 3.79Å; F1071-F1459 AromaticContact CE1-CZ 3.71Å; F1071-F1459 HydrophobicContact CE1-CZ 3.71Å |
| 1072 | V | 75.1 | Confident | 65.1 | Low | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | -179 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | V1068 E1069 Y1075 R1076 F1459 Y1463 L1495 L1499 | V1068-V1072 HydrophobicContact CG1-CG2 4.01Å; V1068-V1072 WeakPolarHBondContact O-CG2 3.28Å; V1068-V1072 PolarHBondContact O-N 3.37Å; E1069-V1072 PolarHBondContact O-N 3.45Å; V1072-Y1075 PolarHBondContact O-N 2.89Å; V1072-R1076 HydrophobicContact CG1-CG 4.47Å; V1072-R1076 WeakPolarHBondContact O-CB 3.4Å; V1072-R1076 WeakPolarHBondContact O-CG 3.42Å; V1072-R1076 PolarHBondContact O-N 3.07Å; V1072-F1459 HydrophobicContact CG2-CZ 4.4Å; V1072-Y1463 HydrophobicContact CG1-CE2 4.33Å; V1072-L1495 HydrophobicContact CG2-CD2 3.65Å; V1072-L1499 HydrophobicContact CG1-CD2 3.81Å |
| 1073 | A | 71.7 | Confident | 66.8 | Low | 58 Ų | 58 | 44.2 Ų | 44.2 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1069 F1071 R1076 S1077 | E1069-A1073 WeakPolarHBondContact O-CB 3.26Å; E1069-A1073 PolarHBondContact O-N 2.82Å; F1071-A1073 VanDerWaalsContact C-N 3.35Å; F1071-A1073 PolarHBondContact O-N 3Å; A1073-R1076 PolarHBondContact O-N 3.07Å; A1073-S1077 WeakPolarHBondContact O-CB 3.18Å; A1073-S1077 PolarHBondContact O-N 2.75Å |
| 1074 | A | 65.5 | Low | 68.1 | Low | 14 Ų | 14 | 43 Ų | 43 | 12% | 0.116 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M741 A1070 F1071 S1077 W1078 | M741-A1074 HydrophobicContact CE-CB 3.78Å; M741-A1074 WeakPolarHBondContact CE-O 3.47Å; A1070-A1074 VanDerWaalsContact O-CB 3.29Å; A1070-A1074 WeakPolarHBondContact O-CB 3.26Å; A1070-A1074 PolarHBondContact O-N 2.81Å; F1071-A1074 PolarHBondContact O-N 2.91Å; A1074-S1077 PolarHBondContact O-N 3.08Å; A1074-W1078 VanDerWaalsContact O-CB 3.27Å; A1074-W1078 WeakPolarHBondContact O-CB 3.22Å; A1074-W1078 PolarHBondContact O-N 3.24Å |
| 1075 | Y | 74.1 | Confident | 69.1 | Low | 11 Ų | 11 | 41.5 Ų | 41.5 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 178 | 178.9 | -110.3 | 0 | 0 | 0 | 112.2 | Y709 F1071 V1072 W1078 L1079 E1416 V1419 F1459 N1460 | Y709-Y1075 HydrophobicContact CD1-CE2 4.28Å; Y709-Y1075 AromaticContact CE1-CE2 3.75Å; Y709-Y1075 HydrophobicContact CE1-CE2 3.75Å; F1071-Y1075 WeakPolarHBondContact O-CB 3.44Å; F1071-Y1075 PolarHBondContact O-N 3.16Å; V1072-Y1075 PolarHBondContact O-N 2.89Å; Y1075-W1078 HydrophobicContact CD2-CE3 4.03Å; Y1075-W1078 HydrophobicContact CD2-CZ3 4.28Å; Y1075-W1078 HydrophobicContact CE2-CE3 4.01Å; Y1075-W1078 AromaticContact CE2-CZ3 3.83Å; Y1075-W1078 HydrophobicContact CE2-CZ3 3.83Å; Y1075-W1078 PolarHBondContact O-N 3.03Å; Y1075-L1079 VanDerWaalsContact O-CB 3.31Å; Y1075-L1079 WeakPolarHBondContact O-CB 3.48Å; Y1075-L1079 PolarHBondContact O-N 3.03Å; Y1075-E1416 WeakPolarHBondContact OH-CG 3.43Å; Y1075-V1419 HydrophobicContact CE1-CG1 4.36Å; Y1075-F1459 AromaticContact CD1-CE1 3.92Å; Y1075-F1459 HydrophobicContact CD1-CE1 3.92Å; Y1075-F1459 AromaticContact CE1-CE1 3.91Å; Y1075-F1459 HydrophobicContact CE1-CE1 3.91Å; Y1075-F1459 HydrophobicContact CG-CE1 4.45Å; Y1075-N1460 VanDerWaalsContact OH-CG 3.32Å; Y1075-N1460 PolarHBondContact OH-ND2 3.1Å; Y1075-N1460 PolarHBondContact OH-OD1 2.98Å |
| 1076 | R | 74.6 | Confident | 69.8 | Low | 95 Ų | 95 | 40.7 Ų | 40.7 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.1 | -51.2 | 174.2 | -79.1 | 179.8 | 162.3 | 160.5 | 1.4 | 111.5 | V1072 A1073 W1078 L1079 V1080 Y1463 | V1072-R1076 HydrophobicContact CG1-CG 4.47Å; V1072-R1076 WeakPolarHBondContact O-CB 3.4Å; V1072-R1076 WeakPolarHBondContact O-CG 3.42Å; V1072-R1076 PolarHBondContact O-N 3.07Å; A1073-R1076 PolarHBondContact O-N 3.07Å; R1076-W1078 VanDerWaalsContact C-N 3.34Å; R1076-W1078 PolarHBondContact O-N 3.05Å; R1076-L1079 PolarHBondContact O-N 3.43Å; R1076-V1080 VanDerWaalsContact O-CB 3.31Å; R1076-V1080 WeakPolarHBondContact O-CB 3.47Å; R1076-V1080 VanDerWaalsContact O-CG2 3.22Å; R1076-V1080 WeakPolarHBondContact O-CG2 3.13Å; R1076-V1080 PolarHBondContact O-N 2.92Å; R1076-Y1463 PolarHBondContact NE-OH 3.14Å; R1076-Y1463 PolarHBondContact NH2-OH 3.12Å; R1076-Y1463 VanDerWaalsContact NH2-OH 3.08Å |
| 1077 | S | 69.7 | Low | 70.4 | Confident | 60 Ų | 60 | 40.8 Ų | 40.8 | 42% | 0.42 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 179.6 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | A1073 A1074 Q1081 | A1073-S1077 WeakPolarHBondContact O-CB 3.18Å; A1073-S1077 PolarHBondContact O-N 2.75Å; A1074-S1077 PolarHBondContact O-N 3.08Å; S1077-Q1081 WeakPolarHBondContact O-CB 3.18Å; S1077-Q1081 PolarHBondContact O-N 3.47Å |
| 1078 | W | 72 | Confident | 70.2 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 176.3 | 171.9 | 74.6 | 0 | 0 | 0 | 112.2 | E740 M741 V742 A1074 Y1075 R1076 Q1081 K1082 | E740-W1078 PolarHBondContact OE2-NE1 3Å; M741-W1078 HydrophobicContact CE-CB 3.92Å; V742-W1078 HydrophobicContact CG2-CB 4.11Å; V742-W1078 VanDerWaalsContact CG2-CD1 3.5Å; V742-W1078 HydrophobicContact CG2-CD2 3.82Å; V742-W1078 HydrophobicContact CG2-CG 3.51Å; A1074-W1078 VanDerWaalsContact O-CB 3.27Å; A1074-W1078 WeakPolarHBondContact O-CB 3.22Å; A1074-W1078 PolarHBondContact O-N 3.24Å; Y1075-W1078 HydrophobicContact CD2-CE3 4.03Å; Y1075-W1078 HydrophobicContact CD2-CZ3 4.28Å; Y1075-W1078 HydrophobicContact CE2-CE3 4.01Å; Y1075-W1078 AromaticContact CE2-CZ3 3.83Å; Y1075-W1078 HydrophobicContact CE2-CZ3 3.83Å; Y1075-W1078 PolarHBondContact O-N 3.03Å; R1076-W1078 VanDerWaalsContact C-N 3.34Å; R1076-W1078 PolarHBondContact O-N 3.05Å; W1078-Q1081 CarbonylContact O-C 3.58Å; W1078-Q1081 PolarHBondContact O-N 2.62Å; W1078-K1082 HydrophobicContact CH2-CD 3.76Å; W1078-K1082 HydrophobicContact CZ2-CD 3.69Å; W1078-K1082 HydrophobicContact CZ3-CD 4.37Å; W1078-K1082 VanDerWaalsContact O-CB 3.28Å; W1078-K1082 WeakPolarHBondContact O-CB 3.38Å; W1078-K1082 PolarHBondContact O-N 3.23Å |
| 1079 | L | 73.8 | Confident | 69.7 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | -179.4 | -176.6 | 68.6 | 0 | 0 | 0 | 111.1 | Y1075 R1076 Q1081 K1082 M1083 E1416 V1419 W1420 | Y1075-L1079 VanDerWaalsContact O-CB 3.31Å; Y1075-L1079 WeakPolarHBondContact O-CB 3.48Å; Y1075-L1079 PolarHBondContact O-N 3.03Å; R1076-L1079 PolarHBondContact O-N 3.43Å; L1079-Q1081 VanDerWaalsContact C-N 3.34Å; L1079-K1082 PolarHBondContact O-N 3.46Å; L1079-M1083 HydrophobicContact CD1-CE 3.88Å; L1079-M1083 HydrophobicContact CD1-CG 4.31Å; L1079-M1083 HydrophobicContact CG-CG 4.48Å; L1079-M1083 WeakPolarHBondContact O-CB 3.27Å; L1079-M1083 VanDerWaalsContact O-CG 3.27Å; L1079-M1083 WeakPolarHBondContact O-CG 3.47Å; L1079-M1083 PolarHBondContact O-N 2.81Å; L1079-E1416 HydrophobicContact CD1-CB 3.86Å; L1079-E1416 HydrophobicContact CD1-CG 4.08Å; L1079-V1419 HydrophobicContact CD2-CB 3.88Å; L1079-V1419 HydrophobicContact CD2-CG1 3.44Å; L1079-V1419 VanDerWaalsContact CD2-CG1 3.44Å; L1079-W1420 HydrophobicContact CD2-CB 4.4Å |
| 1080 | V | 73.7 | Confident | 68.9 | Low | 48 Ų | 48 | 39.5 Ų | 39.5 | 29% | 0.291 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 174.4 | 170.4 | 0 | 0 | 0 | 0 | 110 | R1076 M1083 I1084 | R1076-V1080 VanDerWaalsContact O-CB 3.31Å; R1076-V1080 WeakPolarHBondContact O-CB 3.47Å; R1076-V1080 VanDerWaalsContact O-CG2 3.22Å; R1076-V1080 WeakPolarHBondContact O-CG2 3.13Å; R1076-V1080 PolarHBondContact O-N 2.92Å; V1080-M1083 PolarHBondContact O-N 3.42Å; V1080-I1084 HydrophobicContact CG1-CD1 3.41Å; V1080-I1084 VanDerWaalsContact CG1-CD1 3.41Å; V1080-I1084 HydrophobicContact CG1-CG1 4.09Å; V1080-I1084 VanDerWaalsContact O-CB 3.22Å; V1080-I1084 WeakPolarHBondContact O-CB 3.48Å; V1080-I1084 WeakPolarHBondContact O-CG1 3.38Å; V1080-I1084 PolarHBondContact O-N 3.5Å |
| 1081 | Q | 68.1 | Low | 68 | Low | 97 Ų | 97 | 43 Ų | 43 | 45% | 0.453 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.2 | -171.4 | 176.8 | 2.4 | 0 | 0 | 111.7 | S1077 W1078 L1079 M1083 C1085 | S1077-Q1081 WeakPolarHBondContact O-CB 3.18Å; S1077-Q1081 PolarHBondContact O-N 3.47Å; W1078-Q1081 CarbonylContact O-C 3.58Å; W1078-Q1081 PolarHBondContact O-N 2.62Å; L1079-Q1081 VanDerWaalsContact C-N 3.34Å; Q1081-M1083 PolarHBondContact O-N 3.25Å; Q1081-C1085 WeakPolarHBondContact O-CB 3.4Å; Q1081-C1085 PolarHBondContact O-N 2.71Å; Q1081-C1085 PolarHBondContact O-SG 2.9Å |
| 1082 | K | 71.1 | Confident | 66.8 | Low | 48 Ų | 48 | 50 Ų | 50 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 176.6 | 178.2 | -179.4 | 174.1 | -174.3 | 0 | 110.9 | W1078 L1079 S1086 D1413 E1416 | W1078-K1082 HydrophobicContact CH2-CD 3.76Å; W1078-K1082 HydrophobicContact CZ2-CD 3.69Å; W1078-K1082 HydrophobicContact CZ3-CD 4.37Å; W1078-K1082 VanDerWaalsContact O-CB 3.28Å; W1078-K1082 WeakPolarHBondContact O-CB 3.38Å; W1078-K1082 PolarHBondContact O-N 3.23Å; L1079-K1082 PolarHBondContact O-N 3.46Å; K1082-S1086 WeakPolarHBondContact O-CB 3.15Å; K1082-S1086 PolarHBondContact O-N 2.7Å; K1082-S1086 VanDerWaalsContact O-N 3.08Å; K1082-S1086 PolarHBondContact O-OG 2.93Å; K1082-D1413 IonicContact NZ-OD1 3.06Å; K1082-D1413 PolarHBondContact NZ-OD1 3.22Å; K1082-E1416 IonicContact NZ-OE2 3.99Å; K1082-E1416 PolarHBondContact NZ-OE2 2.94Å |
| 1083 | M | 75.1 | Confident | 65.6 | Low | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -76.4 | -39.4 | -178.2 | -62.8 | -63.7 | -171.8 | 0 | 0 | 112.3 | L1079 V1080 Q1081 S1086 V1087 L1340 E1416 L1417 W1420 | L1079-M1083 HydrophobicContact CD1-CE 3.88Å; L1079-M1083 HydrophobicContact CD1-CG 4.31Å; L1079-M1083 HydrophobicContact CG-CG 4.48Å; L1079-M1083 WeakPolarHBondContact O-CB 3.27Å; L1079-M1083 VanDerWaalsContact O-CG 3.27Å; L1079-M1083 WeakPolarHBondContact O-CG 3.47Å; L1079-M1083 PolarHBondContact O-N 2.81Å; V1080-M1083 PolarHBondContact O-N 3.42Å; Q1081-M1083 PolarHBondContact O-N 3.25Å; M1083-S1086 WeakPolarHBondContact O-CA 3.35Å; M1083-S1086 VanDerWaalsContact O-CB 3.27Å; M1083-S1086 WeakPolarHBondContact O-CB 3.48Å; M1083-S1086 PolarHBondContact O-N 2.95Å; M1083-S1086 VanDerWaalsContact O-N 3.08Å; M1083-V1087 WeakPolarHBondContact O-CG2 3.46Å; M1083-V1087 PolarHBondContact O-N 3Å; M1083-L1340 HydrophobicContact CB-CD1 4.29Å; M1083-E1416 HydrophobicContact CE-CB 4.4Å; M1083-L1417 HydrophobicContact CE-CB 4.36Å; M1083-W1420 HydrophobicContact CB-CD2 4.39Å; M1083-W1420 HydrophobicContact CB-CG 3.93Å; M1083-W1420 HydrophobicContact CE-CB 4.32Å; M1083-W1420 HydrophobicContact CG-CB 3.98Å; M1083-W1420 HydrophobicContact CG-CD2 4.42Å; M1083-W1420 HydrophobicContact CG-CG 3.69Å |
| 1084 | I | 71.3 | Confident | 64.3 | Low | 92 Ų | 92 | 55.2 Ų | 55.2 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 172.7 | -70.4 | 175.7 | 0 | 0 | 0 | 110.2 | V1080 S1086 V1087 A1088 | V1080-I1084 HydrophobicContact CG1-CD1 3.41Å; V1080-I1084 VanDerWaalsContact CG1-CD1 3.41Å; V1080-I1084 HydrophobicContact CG1-CG1 4.09Å; V1080-I1084 VanDerWaalsContact O-CB 3.22Å; V1080-I1084 WeakPolarHBondContact O-CB 3.48Å; V1080-I1084 WeakPolarHBondContact O-CG1 3.38Å; V1080-I1084 PolarHBondContact O-N 3.5Å; I1084-S1086 PolarHBondContact O-N 3.44Å; I1084-V1087 PolarHBondContact O-N 2.98Å; I1084-V1087 VanDerWaalsContact O-N 3.12Å; I1084-A1088 HydrophobicContact CG2-CB 4.3Å; I1084-A1088 WeakPolarHBondContact O-CA 3.28Å; I1084-A1088 WeakPolarHBondContact O-CB 3.48Å; I1084-A1088 PolarHBondContact O-N 2.7Å |
| 1085 | C | 65 | Low | 63.4 | Low | 44 Ų | 44 | 59.4 Ų | 59.4 | 30% | 0.297 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -27.5 | 174.1 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | Q1081 R1089 | Q1081-C1085 WeakPolarHBondContact O-CB 3.4Å; Q1081-C1085 PolarHBondContact O-N 2.71Å; Q1081-C1085 PolarHBondContact O-SG 2.9Å; C1085-R1089 VanDerWaalsContact O-CA 3.27Å; C1085-R1089 WeakPolarHBondContact O-CA 3.37Å; C1085-R1089 WeakPolarHBondContact O-CB 3.34Å; C1085-R1089 WeakPolarHBondContact O-CG 3.23Å; C1085-R1089 PolarHBondContact O-N 3.28Å |
| 1086 | S | 68 | Low | 62.2 | Low | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.6 | -39.6 | 174.5 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | K1082 M1083 I1084 D1294 R1336 | K1082-S1086 WeakPolarHBondContact O-CB 3.15Å; K1082-S1086 PolarHBondContact O-N 2.7Å; K1082-S1086 VanDerWaalsContact O-N 3.08Å; K1082-S1086 PolarHBondContact O-OG 2.93Å; M1083-S1086 WeakPolarHBondContact O-CA 3.35Å; M1083-S1086 VanDerWaalsContact O-CB 3.27Å; M1083-S1086 WeakPolarHBondContact O-CB 3.48Å; M1083-S1086 PolarHBondContact O-N 2.95Å; M1083-S1086 VanDerWaalsContact O-N 3.08Å; I1084-S1086 PolarHBondContact O-N 3.44Å; S1086-D1294 VanDerWaalsContact CB-OD2 3.3Å; S1086-D1294 WeakPolarHBondContact CB-OD2 3.23Å; S1086-D1294 WeakPolarHBondContact O-CB 3.49Å; S1086-R1336 PolarHBondContact OG-NH2 2.63Å |
| 1087 | V | 67.4 | Low | 60.8 | Low | 60 Ų | 60 | 58.1 Ų | 58.1 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75.5 | -41.5 | 175.7 | 178 | 0 | 0 | 0 | 0 | 112.1 | M1083 I1084 H1090 L1340 | M1083-V1087 WeakPolarHBondContact O-CG2 3.46Å; M1083-V1087 PolarHBondContact O-N 3Å; I1084-V1087 PolarHBondContact O-N 2.98Å; I1084-V1087 VanDerWaalsContact O-N 3.12Å; V1087-H1090 PolarHBondContact O-CD2 2.89Å; V1087-L1340 HydrophobicContact CG2-CD1 3.38Å; V1087-L1340 HydrophobicContact CG2-CD2 4.21Å; V1087-L1340 HydrophobicContact CG2-CG 3.5Å; V1087-L1340 VanDerWaalsContact CG2-CG 3.5Å |
| 1088 | A | 60.9 | Low | 59.6 | Low | 22 Ų | 22 | 59.2 Ų | 59.2 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -95.5 | 14.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1084 H1090 D1091 | I1084-A1088 HydrophobicContact CG2-CB 4.3Å; I1084-A1088 WeakPolarHBondContact O-CA 3.28Å; I1084-A1088 WeakPolarHBondContact O-CB 3.48Å; I1084-A1088 PolarHBondContact O-N 2.7Å; A1088-H1090 PolarHBondContact O-N 2.68Å; A1088-D1091 PolarHBondContact O-N 3.31Å |
| 1089 | R | 57.6 | Low | 58.3 | Low | 73 Ų | 73 | 63.6 Ų | 63.6 | 28% | 0.275 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.7 | -16 | 170.1 | -117.1 | 164.2 | -161.5 | 168 | 1.7 | 112.1 | C1085 D1091 Q1291 D1294 | C1085-R1089 VanDerWaalsContact O-CA 3.27Å; C1085-R1089 WeakPolarHBondContact O-CA 3.37Å; C1085-R1089 WeakPolarHBondContact O-CB 3.34Å; C1085-R1089 WeakPolarHBondContact O-CG 3.23Å; C1085-R1089 PolarHBondContact O-N 3.28Å; R1089-D1091 PolarHBondContact O-N 3.49Å; R1089-Q1291 VanDerWaalsContact CZ-CG 3.49Å; R1089-Q1291 VanDerWaalsContact NH1-CG 3.25Å; R1089-D1294 IonicContact NH1-OD2 2.63Å; R1089-D1294 PolarHBondContact NH1-OD2 3.14Å; R1089-D1294 VanDerWaalsContact NH1-OD2 3.09Å |
| 1090 | H | 54.3 | Low | 56.9 | Low | 35 Ų | 35 | 67.5 Ų | 67.5 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -51.3 | -34.9 | 161.2 | -67.4 | -39.8 | 0 | 0 | 0 | 112.7 | V1087 A1088 R1252 W1259 | V1087-H1090 PolarHBondContact O-CD2 2.89Å; A1088-H1090 PolarHBondContact O-N 2.68Å; H1090-R1252 VanDerWaalsContact C-NH1 3.25Å; H1090-R1252 VanDerWaalsContact CA-NH2 3.33Å; H1090-R1252 VanDerWaalsContact CB-NH2 3.26Å; H1090-R1252 PolarHBondContact O-NH1 3.3Å; H1090-R1252 PolarHBondContact O-NH2 2.9Å; H1090-W1259 AromaticContact CE1-CZ2 3.78Å |
| 1091 | D | 48.3 | Very low | 55.6 | Low | 116 Ų | 116 | 65.8 Ų | 65.8 | 62% | 0.62 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -105.9 | -10.8 | -171.7 | -57.8 | -27.6 | 0 | 0 | 0 | 114.7 | A1088 R1089 R1252 | A1088-D1091 PolarHBondContact O-N 3.31Å; R1089-D1091 PolarHBondContact O-N 3.49Å; D1091-R1252 IonicContact OD1-NH2 3.28Å |
| 1092 | F | 46.5 | Very low | 54.7 | Low | 159 Ų | 159 | 62.7 Ų | 62.7 | 70% | 0.697 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -116.8 | 6.7 | -167.5 | -78.2 | -84.3 | 0 | 0 | 0 | 116.5 | E1094 | F1092-E1094 VanDerWaalsContact C-N 3.27Å; F1092-E1094 PolarHBondContact O-N 3.37Å |
| 1093 | G | 50.1 | Low | 53.8 | Low | 22 Ų | 22 | 64.1 Ų | 64.1 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1094 | E | 44.3 | Very low | 52.4 | Low | 149 Ų | 149 | 66 Ų | 66 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -76.7 | -25.4 | -162.1 | -62.6 | -170.6 | 154.1 | 0 | 0 | 115.4 | F1092 T1098 | F1092-E1094 VanDerWaalsContact C-N 3.27Å; F1092-E1094 PolarHBondContact O-N 3.37Å; E1094-T1098 PolarHBondContact O-OG1 2.91Å; E1094-T1098 VanDerWaalsContact O-OG1 3.1Å |
| 1095 | D | 46.5 | Very low | 51.4 | Low | 102 Ų | 102 | 63.3 Ų | 63.3 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -96.8 | -19.3 | -169.5 | -72.5 | -24 | 0 | 0 | 0 | 115.5 | T1098 N1099 | D1095-T1098 PolarHBondContact O-OG1 2.95Å; D1095-N1099 WeakPolarHBondContact O-CB 3.37Å; D1095-N1099 VanDerWaalsContact O-CG 3.28Å; D1095-N1099 PolarHBondContact O-N 3.29Å; D1095-N1099 PolarHBondContact O-ND2 3.49Å |
| 1096 | S | 47.8 | Very low | 50.6 | Low | 59 Ų | 59 | 64.6 Ų | 64.6 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -77 | -47.1 | -172.6 | 63.4 | 0 | 0 | 0 | 0 | 112.2 | N1099 H1100 | S1096-N1099 PolarHBondContact O-N 2.86Å; S1096-H1100 PolarHBondContact O-CD2 2.97Å; S1096-H1100 PolarHBondContact O-N 2.83Å; S1096-H1100 VanDerWaalsContact O-N 3.1Å |
| 1097 | L | 45.4 | Very low | 49.8 | Very low | 20 Ų | 20 | 70.2 Ų | 70.2 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | -178.2 | -86.2 | 154.7 | 0 | 0 | 0 | 112.7 | N1099 H1100 V1101 I1246 L1249 | L1097-N1099 VanDerWaalsContact C-N 3.33Å; L1097-N1099 PolarHBondContact O-N 2.95Å; L1097-H1100 PolarHBondContact O-N 3.49Å; L1097-V1101 WeakPolarHBondContact O-CB 3.37Å; L1097-V1101 WeakPolarHBondContact O-CG2 3.11Å; L1097-V1101 PolarHBondContact O-N 3.49Å; L1097-I1246 HydrophobicContact CD1-CG1 4.32Å; L1097-I1246 HydrophobicContact CD1-CG2 4.12Å; L1097-I1246 HydrophobicContact CD2-CD1 3.9Å; L1097-I1246 HydrophobicContact CD2-CG1 3.92Å; L1097-I1246 HydrophobicContact CD2-CG2 3.87Å; L1097-L1249 HydrophobicContact CD1-CD1 3.94Å |
| 1098 | T | 44.9 | Very low | 49.3 | Very low | 83 Ų | 83 | 68.2 Ų | 68.2 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.2 | -34.2 | 176.9 | 46.3 | 0 | 0 | 0 | 0 | 112.2 | E1094 D1095 G1102 | E1094-T1098 PolarHBondContact O-OG1 2.91Å; E1094-T1098 VanDerWaalsContact O-OG1 3.1Å; D1095-T1098 PolarHBondContact O-OG1 2.95Å; T1098-G1102 WeakPolarHBondContact O-CA 3.27Å; T1098-G1102 PolarHBondContact O-N 3.14Å |
| 1099 | N | 44.5 | Very low | 49.2 | Very low | 100 Ų | 100 | 70.6 Ų | 70.6 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -76.2 | -30.2 | 174.3 | -75.9 | -40.2 | 0 | 0 | 0 | 113.6 | D1095 S1096 L1097 | D1095-N1099 WeakPolarHBondContact O-CB 3.37Å; D1095-N1099 VanDerWaalsContact O-CG 3.28Å; D1095-N1099 PolarHBondContact O-N 3.29Å; D1095-N1099 PolarHBondContact O-ND2 3.49Å; S1096-N1099 PolarHBondContact O-N 2.86Å; L1097-N1099 VanDerWaalsContact C-N 3.33Å; L1097-N1099 PolarHBondContact O-N 2.95Å |
| 1100 | H | 43.8 | Very low | 49.4 | Very low | 82 Ų | 82 | 72.7 Ų | 72.7 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -82.4 | -26.3 | 179.5 | -66.2 | -40.6 | 0 | 0 | 0 | 113.5 | S1096 L1097 | S1096-H1100 PolarHBondContact O-CD2 2.97Å; S1096-H1100 PolarHBondContact O-N 2.83Å; S1096-H1100 VanDerWaalsContact O-N 3.1Å; L1097-H1100 PolarHBondContact O-N 3.49Å |
| 1101 | V | 47.8 | Very low | 49.9 | Very low | 13 Ų | 13 | 71.7 Ų | 71.7 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -118.1 | 6 | -176.3 | -168.3 | 0 | 0 | 0 | 0 | 110.9 | L1097 W1103 L1104 A1105 I1203 L1208 | L1097-V1101 WeakPolarHBondContact O-CB 3.37Å; L1097-V1101 WeakPolarHBondContact O-CG2 3.11Å; L1097-V1101 PolarHBondContact O-N 3.49Å; V1101-W1103 PolarHBondContact O-N 3.45Å; V1101-L1104 HydrophobicContact CG1-CB 3.85Å; V1101-L1104 HydrophobicContact CG1-CD1 3.93Å; V1101-L1104 HydrophobicContact CG1-CG 4.44Å; V1101-L1104 WeakPolarHBondContact O-CA 3.36Å; V1101-L1104 WeakPolarHBondContact O-CB 3.36Å; V1101-L1104 PolarHBondContact O-N 3.08Å; V1101-A1105 PolarHBondContact O-N 3.34Å; V1101-I1203 HydrophobicContact CG1-CG2 3.72Å; V1101-I1203 HydrophobicContact CG2-CD1 4.35Å; V1101-I1203 HydrophobicContact CG2-CG2 4.02Å; V1101-L1208 HydrophobicContact CG1-CD2 4.27Å |
| 1102 | G | 48.9 | Very low | 50.8 | Low | 32 Ų | 32 | 66.4 Ų | 66.4 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -59.1 | -24.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1098 L1104 A1105 | T1098-G1102 WeakPolarHBondContact O-CA 3.27Å; T1098-G1102 PolarHBondContact O-N 3.14Å; G1102-L1104 PolarHBondContact O-N 2.93Å; G1102-A1105 VanDerWaalsContact O-CB 3.26Å; G1102-A1105 WeakPolarHBondContact O-CB 3.36Å; G1102-A1105 PolarHBondContact O-N 3.39Å; G1102-A1105 VanDerWaalsContact O-N 3.13Å |
| 1103 | W | 50.7 | Low | 51.8 | Low | 77 Ų | 77 | 61.6 Ų | 61.6 | 29% | 0.292 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -67.3 | -19.5 | 171.1 | 69.7 | -75 | 0 | 0 | 0 | 113.6 | H729 V1101 L1164 | H729-W1103 AromaticContact NE2-CD1 3.79Å; H729-W1103 AromaticContact NE2-CD2 3.96Å; H729-W1103 AromaticContact NE2-CG 3.75Å; V1101-W1103 PolarHBondContact O-N 3.45Å; W1103-L1164 HydrophobicContact CD2-CD1 4.46Å; W1103-L1164 HydrophobicContact CE3-CD1 3.24Å; W1103-L1164 HydrophobicContact CH2-CD1 4.2Å; W1103-L1164 HydrophobicContact CZ3-CD1 3.1Å; W1103-L1164 HydrophobicContact CZ3-CG 4.42Å |
| 1104 | L | 46.1 | Very low | 52.6 | Low | 44 Ų | 44 | 65.5 Ų | 65.5 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -99.5 | -1.6 | 172.5 | -69.8 | 163.8 | 0 | 0 | 0 | 112.8 | V1101 G1102 L1164 L1208 | V1101-L1104 HydrophobicContact CG1-CB 3.85Å; V1101-L1104 HydrophobicContact CG1-CD1 3.93Å; V1101-L1104 HydrophobicContact CG1-CG 4.44Å; V1101-L1104 WeakPolarHBondContact O-CA 3.36Å; V1101-L1104 WeakPolarHBondContact O-CB 3.36Å; V1101-L1104 PolarHBondContact O-N 3.08Å; G1102-L1104 PolarHBondContact O-N 2.93Å; L1104-L1164 HydrophobicContact CD2-CD1 3.98Å; L1104-L1164 HydrophobicContact CD2-CD2 3.7Å; L1104-L1164 HydrophobicContact CD2-CG 4.44Å; L1104-L1208 HydrophobicContact CB-CD1 3.94Å; L1104-L1208 HydrophobicContact CB-CD2 3.8Å; L1104-L1208 HydrophobicContact CD1-CD1 3.9Å; L1104-L1208 HydrophobicContact CD2-CD1 4.38Å; L1104-L1208 HydrophobicContact CG-CD1 4.29Å; L1104-L1208 WeakPolarHBondContact O-CD2 3.44Å |
| 1105 | A | 51.4 | Low | 53.6 | Low | 35 Ų | 35 | 59.9 Ų | 59.9 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -63.8 | 151.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1101 G1102 E1107 Y1108 | V1101-A1105 PolarHBondContact O-N 3.34Å; G1102-A1105 VanDerWaalsContact O-CB 3.26Å; G1102-A1105 WeakPolarHBondContact O-CB 3.36Å; G1102-A1105 PolarHBondContact O-N 3.39Å; G1102-A1105 VanDerWaalsContact O-N 3.13Å; A1105-E1107 PolarHBondContact O-N 3.47Å; A1105-Y1108 WeakPolarHBondContact O-CB 3.27Å; A1105-Y1108 PolarHBondContact O-N 3.12Å |
| 1106 | S | 48.1 | Very low | 54.7 | Low | 71 Ų | 71 | 57.7 Ų | 57.7 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.5 | -24.9 | -177.4 | 57.5 | 0 | 0 | 0 | 0 | 114 | Y1108 H1109 Q1110 | S1106-Y1108 VanDerWaalsContact C-N 3.33Å; S1106-Y1108 PolarHBondContact O-N 3.09Å; S1106-H1109 PolarHBondContact O-N 2.64Å; S1106-Q1110 WeakPolarHBondContact O-CG 3.45Å; S1106-Q1110 PolarHBondContact O-N 2.9Å |
| 1107 | E | 51.7 | Low | 55.7 | Low | 121 Ų | 121 | 61.8 Ų | 61.8 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.5 | -36.4 | 175.7 | -62.2 | -176.9 | 176.2 | 0 | 0 | 112.9 | A1105 H1109 Q1110 Y1111 | A1105-E1107 PolarHBondContact O-N 3.47Å; E1107-H1109 VanDerWaalsContact C-N 3.34Å; E1107-H1109 PolarHBondContact O-N 3.09Å; E1107-Q1110 PolarHBondContact O-N 3.28Å; E1107-Y1111 PolarHBondContact O-N 2.88Å |
| 1108 | Y | 55.5 | Low | 56.6 | Low | 17 Ų | 17 | 64.8 Ų | 64.8 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 176.6 | -173.5 | -91.4 | 0 | 0 | 0 | 111.2 | T1037 A1105 S1106 Y1111 I1112 L1164 | T1037-Y1108 HydrophobicContact CG2-CD2 4.49Å; T1037-Y1108 HydrophobicContact CG2-CE2 3.46Å; T1037-Y1108 VanDerWaalsContact CG2-CE2 3.46Å; A1105-Y1108 WeakPolarHBondContact O-CB 3.27Å; A1105-Y1108 PolarHBondContact O-N 3.12Å; S1106-Y1108 VanDerWaalsContact C-N 3.33Å; S1106-Y1108 PolarHBondContact O-N 3.09Å; Y1108-Y1111 PolarHBondContact O-N 3.3Å; Y1108-I1112 HydrophobicContact CD1-CD1 3.53Å; Y1108-I1112 HydrophobicContact CE1-CD1 3.06Å; Y1108-I1112 HydrophobicContact CE1-CG1 4.29Å; Y1108-I1112 HydrophobicContact CE2-CD1 4.48Å; Y1108-I1112 HydrophobicContact CG-CD1 4.4Å; Y1108-I1112 WeakPolarHBondContact O-CG1 3.36Å; Y1108-I1112 PolarHBondContact O-N 2.93Å; Y1108-L1164 HydrophobicContact CD1-CB 4.49Å; Y1108-L1164 HydrophobicContact CE1-CB 3.68Å |
| 1109 | H | 58.4 | Low | 57.7 | Low | 73 Ų | 73 | 63.5 Ų | 63.5 | 34% | 0.338 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 175.4 | -78.8 | 64.5 | 0 | 0 | 0 | 111.8 | S1106 E1107 N1113 | S1106-H1109 PolarHBondContact O-N 2.64Å; E1107-H1109 VanDerWaalsContact C-N 3.34Å; E1107-H1109 PolarHBondContact O-N 3.09Å; H1109-N1113 WeakPolarHBondContact O-CB 3.23Å; H1109-N1113 PolarHBondContact O-N 3.15Å; H1109-N1113 PolarHBondContact O-ND2 3.38Å |
| 1110 | Q | 62.4 | Low | 58.8 | Low | 116 Ų | 116 | 62.3 Ų | 62.3 | 54% | 0.542 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 176.1 | -70.7 | 178.6 | 12.8 | 0 | 0 | 112.4 | S1106 E1107 N1113 L1114 | S1106-Q1110 WeakPolarHBondContact O-CG 3.45Å; S1106-Q1110 PolarHBondContact O-N 2.9Å; E1107-Q1110 PolarHBondContact O-N 3.28Å; Q1110-N1113 WeakPolarHBondContact O-CB 3.31Å; Q1110-N1113 PolarHBondContact O-N 2.89Å; Q1110-L1114 WeakPolarHBondContact O-CD1 3.09Å; Q1110-L1114 WeakPolarHBondContact O-CG 3.45Å; Q1110-L1114 PolarHBondContact O-N 2.89Å |
| 1111 | Y | 66 | Low | 59.9 | Low | 15 Ų | 15 | 60.6 Ų | 60.6 | 6% | 0.059 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 174.4 | 167.4 | -127.9 | 0 | 0 | 0 | 111.9 | F1035 G1036 T1037 F1041 E1107 Y1108 N1113 L1114 L1115 | F1035-Y1111 WeakPolarHBondContact O-CE1 3.4Å; F1035-Y1111 PolarHBondContact O-OH 3.34Å; F1035-Y1111 VanDerWaalsContact O-OH 3.08Å; G1036-Y1111 WeakPolarHBondContact O-CE1 3.46Å; G1036-Y1111 PolarHBondContact O-OH 3.27Å; T1037-Y1111 HydrophobicContact CG2-CE1 4.34Å; F1041-Y1111 HydrophobicContact CD1-CE1 4.01Å; F1041-Y1111 HydrophobicContact CD1-CE2 4.04Å; F1041-Y1111 AromaticContact CD1-CZ 3.5Å; F1041-Y1111 VanDerWaalsContact CD1-CZ 3.5Å; F1041-Y1111 VanDerWaalsContact CD1-OH 3.22Å; F1041-Y1111 WeakPolarHBondContact CD1-OH 3.47Å; F1041-Y1111 AromaticContact CE1-CD2 3.98Å; F1041-Y1111 HydrophobicContact CE1-CD2 3.98Å; F1041-Y1111 AromaticContact CE1-CE1 3.86Å; F1041-Y1111 HydrophobicContact CE1-CE1 3.86Å; F1041-Y1111 AromaticContact CE1-CE2 3.08Å; F1041-Y1111 HydrophobicContact CE1-CE2 3.08Å; F1041-Y1111 AromaticContact CE1-CZ 2.99Å; F1041-Y1111 WeakPolarHBondContact CE1-OH 3.27Å; F1041-Y1111 WeakPolarHBondContact CE2-OH 3.47Å; F1041-Y1111 AromaticContact CZ-CE2 3.37Å; F1041-Y1111 HydrophobicContact CZ-CE2 3.37Å; F1041-Y1111 AromaticContact CZ-CZ 3.44Å; F1041-Y1111 VanDerWaalsContact CZ-CZ 3.44Å; F1041-Y1111 WeakPolarHBondContact CZ-OH 3.22Å; E1107-Y1111 PolarHBondContact O-N 2.88Å; Y1108-Y1111 PolarHBondContact O-N 3.3Å; Y1111-N1113 VanDerWaalsContact C-N 3.27Å; Y1111-N1113 PolarHBondContact O-N 3.29Å; Y1111-L1114 WeakPolarHBondContact O-CB 3.41Å; Y1111-L1114 PolarHBondContact O-N 3.38Å; Y1111-L1115 HydrophobicContact CD1-CD1 4.15Å; Y1111-L1115 HydrophobicContact CD2-CD1 4.22Å; Y1111-L1115 HydrophobicContact CD2-CG 4.37Å; Y1111-L1115 HydrophobicContact CE1-CD1 3.46Å; Y1111-L1115 VanDerWaalsContact CE1-CD1 3.46Å; Y1111-L1115 HydrophobicContact CE1-CG 4.48Å; Y1111-L1115 HydrophobicContact CE2-CD1 3.58Å; Y1111-L1115 HydrophobicContact CE2-CG 3.72Å; Y1111-L1115 PolarHBondContact O-N 2.78Å; Y1111-L1115 VanDerWaalsContact OH-CD1 3.29Å; Y1111-L1115 WeakPolarHBondContact OH-CD1 3.11Å |
| 1112 | I | 65.8 | Low | 60.8 | Low | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 177.7 | -72.3 | 171.7 | 0 | 0 | 0 | 110.8 | Y1108 L1114 L1115 F1116 L1164 R1166 | Y1108-I1112 HydrophobicContact CD1-CD1 3.53Å; Y1108-I1112 HydrophobicContact CE1-CD1 3.06Å; Y1108-I1112 HydrophobicContact CE1-CG1 4.29Å; Y1108-I1112 HydrophobicContact CE2-CD1 4.48Å; Y1108-I1112 HydrophobicContact CG-CD1 4.4Å; Y1108-I1112 WeakPolarHBondContact O-CG1 3.36Å; Y1108-I1112 PolarHBondContact O-N 2.93Å; I1112-L1114 VanDerWaalsContact C-N 3.32Å; I1112-L1114 PolarHBondContact O-N 2.9Å; I1112-L1115 WeakPolarHBondContact O-CB 3.31Å; I1112-L1115 PolarHBondContact O-N 2.76Å; I1112-F1116 HydrophobicContact CG2-CD2 3.56Å; I1112-F1116 HydrophobicContact CG2-CE2 3.53Å; I1112-F1116 WeakPolarHBondContact O-CD2 3.34Å; I1112-F1116 PolarHBondContact O-N 3.48Å; I1112-F1116 VanDerWaalsContact O-N 3.08Å; I1112-L1164 VanDerWaalsContact CD1-O 3.23Å; I1112-L1164 WeakPolarHBondContact CD1-O 3.38Å; I1112-R1166 HydrophobicContact CG2-CG 4.25Å |
| 1113 | N | 66.9 | Low | 61.9 | Low | 58 Ų | 58 | 65.8 Ų | 65.8 | 31% | 0.31 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 172.5 | -78 | -39.3 | 0 | 0 | 0 | 112.1 | H1109 Q1110 Y1111 F1116 Q1117 R1166 | H1109-N1113 WeakPolarHBondContact O-CB 3.23Å; H1109-N1113 PolarHBondContact O-N 3.15Å; H1109-N1113 PolarHBondContact O-ND2 3.38Å; Q1110-N1113 WeakPolarHBondContact O-CB 3.31Å; Q1110-N1113 PolarHBondContact O-N 2.89Å; Y1111-N1113 VanDerWaalsContact C-N 3.27Å; Y1111-N1113 PolarHBondContact O-N 3.29Å; N1113-F1116 PolarHBondContact O-N 3.09Å; N1113-Q1117 VanDerWaalsContact O-CG 3.32Å; N1113-Q1117 WeakPolarHBondContact O-CG 3.29Å; N1113-Q1117 PolarHBondContact O-N 3.46Å; N1113-R1166 PolarHBondContact ND2-NH2 3.35Å; N1113-R1166 PolarHBondContact OD1-NH1 3.34Å; N1113-R1166 PolarHBondContact OD1-NH2 2.84Å |
| 1114 | L | 67.7 | Low | 63.1 | Low | 104 Ų | 104 | 64.3 Ų | 64.3 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.4 | -73.5 | 159 | 0 | 0 | 0 | 112 | Q1110 Y1111 I1112 F1116 Q1117 | Q1110-L1114 WeakPolarHBondContact O-CD1 3.09Å; Q1110-L1114 WeakPolarHBondContact O-CG 3.45Å; Q1110-L1114 PolarHBondContact O-N 2.89Å; Y1111-L1114 WeakPolarHBondContact O-CB 3.41Å; Y1111-L1114 PolarHBondContact O-N 3.38Å; I1112-L1114 VanDerWaalsContact C-N 3.32Å; I1112-L1114 PolarHBondContact O-N 2.9Å; L1114-F1116 VanDerWaalsContact C-N 3.29Å; L1114-F1116 PolarHBondContact O-N 3.42Å; L1114-Q1117 WeakPolarHBondContact O-CB 3.34Å; L1114-Q1117 PolarHBondContact O-N 2.93Å |
| 1115 | L | 65.7 | Low | 64.3 | Low | 32 Ų | 32 | 62.5 Ų | 62.5 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.4 | -40.6 | 175.5 | -111.1 | 167.4 | 0 | 0 | 0 | 112.5 | F1035 Y1111 I1112 T1121 L1125 | F1035-L1115 WeakPolarHBondContact O-CD1 3.24Å; Y1111-L1115 HydrophobicContact CD1-CD1 4.15Å; Y1111-L1115 HydrophobicContact CD2-CD1 4.22Å; Y1111-L1115 HydrophobicContact CD2-CG 4.37Å; Y1111-L1115 HydrophobicContact CE1-CD1 3.46Å; Y1111-L1115 VanDerWaalsContact CE1-CD1 3.46Å; Y1111-L1115 HydrophobicContact CE1-CG 4.48Å; Y1111-L1115 HydrophobicContact CE2-CD1 3.58Å; Y1111-L1115 HydrophobicContact CE2-CG 3.72Å; Y1111-L1115 PolarHBondContact O-N 2.78Å; Y1111-L1115 VanDerWaalsContact OH-CD1 3.29Å; Y1111-L1115 WeakPolarHBondContact OH-CD1 3.11Å; I1112-L1115 WeakPolarHBondContact O-CB 3.31Å; I1112-L1115 PolarHBondContact O-N 2.76Å; L1115-T1121 PolarHBondContact O-OG1 2.79Å; L1115-T1121 VanDerWaalsContact O-OG1 3.07Å; L1115-L1125 HydrophobicContact CD2-CD1 4.04Å |
| 1116 | F | 69.4 | Low | 65.3 | Low | 56 Ų | 56 | 63 Ų | 63 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.2 | -179.7 | -74.3 | -62.6 | 0 | 0 | 0 | 114.4 | F1035 I1112 N1113 L1114 K1122 | F1035-F1116 HydrophobicContact CE1-CZ 4.45Å; I1112-F1116 HydrophobicContact CG2-CD2 3.56Å; I1112-F1116 HydrophobicContact CG2-CE2 3.53Å; I1112-F1116 WeakPolarHBondContact O-CD2 3.34Å; I1112-F1116 PolarHBondContact O-N 3.48Å; I1112-F1116 VanDerWaalsContact O-N 3.08Å; N1113-F1116 PolarHBondContact O-N 3.09Å; L1114-F1116 VanDerWaalsContact C-N 3.29Å; L1114-F1116 PolarHBondContact O-N 3.42Å; F1116-K1122 HydrophobicContact CD1-CB 4.16Å; F1116-K1122 HydrophobicContact CD1-CD 4.15Å; F1116-K1122 HydrophobicContact CD1-CG 3.86Å; F1116-K1122 HydrophobicContact CE1-CG 4.44Å |
| 1117 | Q | 69 | Low | 66.4 | Low | 145 Ų | 145 | 61.8 Ų | 61.8 | 68% | 0.678 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -29.4 | 172 | -80.5 | 170.3 | 16.8 | 0 | 0 | 112.5 | N1113 L1114 G1119 | N1113-Q1117 VanDerWaalsContact O-CG 3.32Å; N1113-Q1117 WeakPolarHBondContact O-CG 3.29Å; N1113-Q1117 PolarHBondContact O-N 3.46Å; L1114-Q1117 WeakPolarHBondContact O-CB 3.34Å; L1114-Q1117 PolarHBondContact O-N 2.93Å; Q1117-G1119 PolarHBondContact O-N 3.08Å |
| 1118 | D | 65 | Low | 67.4 | Low | 83 Ų | 83 | 56.6 Ų | 56.6 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -81.3 | 114.5 | 174 | -175.1 | -12.3 | 0 | 0 | 0 | 110 | S1120 T1121 K1122 | D1118-S1120 PolarHBondContact O-N 2.87Å; D1118-S1120 PolarHBondContact OD1-N 3.01Å; D1118-S1120 VanDerWaalsContact OD1-N 3.07Å; D1118-S1120 PolarHBondContact OD1-OG 3.49Å; D1118-T1121 HydrophobicContact CB-CG2 4.48Å; D1118-T1121 WeakPolarHBondContact CB-OG1 3.46Å; D1118-T1121 PolarHBondContact O-OG1 3.06Å; D1118-K1122 WeakPolarHBondContact O-CB 3.18Å; D1118-K1122 PolarHBondContact O-N 3.32Å; D1118-K1122 VanDerWaalsContact O-N 3.1Å |
| 1119 | G | 66.8 | Low | 68.5 | Low | 55 Ų | 55 | 57.9 Ų | 57.9 | 57% | 0.567 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64 | -24.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1117 A1123 | Q1117-G1119 PolarHBondContact O-N 3.08Å; G1119-A1123 PolarHBondContact O-N 2.88Å |
| 1120 | S | 68 | Low | 69.5 | Low | 76 Ų | 76 | 60.1 Ų | 60.1 | 53% | 0.531 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -78.5 | -44.8 | -178.3 | 68.5 | 0 | 0 | 0 | 0 | 112.4 | D1118 A1123 F1124 | D1118-S1120 PolarHBondContact O-N 2.87Å; D1118-S1120 PolarHBondContact OD1-N 3.01Å; D1118-S1120 VanDerWaalsContact OD1-N 3.07Å; D1118-S1120 PolarHBondContact OD1-OG 3.49Å; S1120-A1123 PolarHBondContact O-N 3.37Å; S1120-F1124 PolarHBondContact O-N 2.85Å; S1120-F1124 VanDerWaalsContact O-N 3.12Å |
| 1121 | T | 65.9 | Low | 70.3 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 174.7 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | L1115 D1118 A1123 F1124 L1125 | L1115-T1121 PolarHBondContact O-OG1 2.79Å; L1115-T1121 VanDerWaalsContact O-OG1 3.07Å; D1118-T1121 HydrophobicContact CB-CG2 4.48Å; D1118-T1121 WeakPolarHBondContact CB-OG1 3.46Å; D1118-T1121 PolarHBondContact O-OG1 3.06Å; T1121-A1123 PolarHBondContact O-N 3.43Å; T1121-F1124 PolarHBondContact O-N 2.98Å; T1121-L1125 WeakPolarHBondContact O-CB 3.2Å; T1121-L1125 WeakPolarHBondContact O-CG 3.43Å; T1121-L1125 PolarHBondContact O-N 3.31Å |
| 1122 | K | 68 | Low | 71.2 | Confident | 112 Ų | 112 | 55.7 Ų | 55.7 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 175.1 | 178.9 | 169.9 | -177.1 | 178.6 | 0 | 112.6 | F1116 D1118 A1126 | F1116-K1122 HydrophobicContact CD1-CB 4.16Å; F1116-K1122 HydrophobicContact CD1-CD 4.15Å; F1116-K1122 HydrophobicContact CD1-CG 3.86Å; F1116-K1122 HydrophobicContact CE1-CG 4.44Å; D1118-K1122 WeakPolarHBondContact O-CB 3.18Å; D1118-K1122 PolarHBondContact O-N 3.32Å; D1118-K1122 VanDerWaalsContact O-N 3.1Å; K1122-A1126 VanDerWaalsContact O-CB 3.29Å; K1122-A1126 WeakPolarHBondContact O-CB 3.3Å; K1122-A1126 PolarHBondContact O-N 3.49Å |
| 1123 | A | 71.8 | Confident | 72 | Confident | 43 Ų | 43 | 59.7 Ų | 59.7 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1119 S1120 T1121 A1126 E1127 | G1119-A1123 PolarHBondContact O-N 2.88Å; S1120-A1123 PolarHBondContact O-N 3.37Å; T1121-A1123 PolarHBondContact O-N 3.43Å; A1123-A1126 PolarHBondContact O-N 3.46Å; A1123-E1127 PolarHBondContact O-N 3.46Å |
| 1124 | F | 75.2 | Confident | 72.7 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 20% | 0.197 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -50 | 176.3 | 170.1 | -103.9 | 0 | 0 | 0 | 112.3 | I998 L1002 S1120 T1121 A1126 E1127 V1128 | I998-F1124 HydrophobicContact CD1-CE1 3.86Å; I998-F1124 HydrophobicContact CD1-CZ 4.27Å; L1002-F1124 HydrophobicContact CD1-CZ 4.15Å; S1120-F1124 PolarHBondContact O-N 2.85Å; S1120-F1124 VanDerWaalsContact O-N 3.12Å; T1121-F1124 PolarHBondContact O-N 2.98Å; F1124-A1126 VanDerWaalsContact C-N 3.33Å; F1124-A1126 PolarHBondContact O-N 2.92Å; F1124-E1127 PolarHBondContact O-N 3.2Å; F1124-V1128 HydrophobicContact CD2-CG2 4.3Å; F1124-V1128 HydrophobicContact CE1-CG2 4.31Å; F1124-V1128 HydrophobicContact CE2-CG2 3.88Å; F1124-V1128 HydrophobicContact CZ-CG2 3.89Å; F1124-V1128 WeakPolarHBondContact O-CG2 3.23Å; F1124-V1128 PolarHBondContact O-N 3.41Å |
| 1125 | L | 72.8 | Confident | 73.5 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 178.6 | -71 | 172.2 | 0 | 0 | 0 | 111.6 | F1035 L1115 T1121 V1128 I1129 | F1035-L1125 HydrophobicContact CD1-CD1 4.11Å; F1035-L1125 HydrophobicContact CD1-CD2 4.23Å; F1035-L1125 HydrophobicContact CE1-CB 4.35Å; F1035-L1125 HydrophobicContact CE1-CD1 4.11Å; F1035-L1125 HydrophobicContact CE1-CD2 4.14Å; F1035-L1125 HydrophobicContact CE1-CG 4.44Å; L1115-L1125 HydrophobicContact CD2-CD1 4.04Å; T1121-L1125 WeakPolarHBondContact O-CB 3.2Å; T1121-L1125 WeakPolarHBondContact O-CG 3.43Å; T1121-L1125 PolarHBondContact O-N 3.31Å; L1125-V1128 PolarHBondContact O-N 2.98Å; L1125-I1129 WeakPolarHBondContact O-CD1 3.33Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.45Å; L1125-I1129 PolarHBondContact O-N 3.04Å |
| 1126 | A | 71 | Confident | 74.4 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1122 A1123 F1124 H1130 | K1122-A1126 VanDerWaalsContact O-CB 3.29Å; K1122-A1126 WeakPolarHBondContact O-CB 3.3Å; K1122-A1126 PolarHBondContact O-N 3.49Å; A1123-A1126 PolarHBondContact O-N 3.46Å; F1124-A1126 VanDerWaalsContact C-N 3.33Å; F1124-A1126 PolarHBondContact O-N 2.92Å; A1126-H1130 PolarHBondContact O-CD2 3.23Å; A1126-H1130 PolarHBondContact O-N 3.28Å |
| 1127 | E | 70.8 | Confident | 75.1 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.1 | -118.7 | -170.4 | 157 | 0 | 0 | 111.6 | F924 Y926 A1123 F1124 | F924-E1127 HydrophobicContact CD1-CB 4.42Å; F924-E1127 VanDerWaalsContact CD1-CD 3.42Å; F924-E1127 HydrophobicContact CD1-CG 3.84Å; F924-E1127 WeakPolarHBondContact CD1-OE1 3.4Å; F924-E1127 HydrophobicContact CE1-CB 3.87Å; F924-E1127 HydrophobicContact CE1-CG 3.49Å; F924-E1127 VanDerWaalsContact CE1-CG 3.49Å; Y926-E1127 WeakPolarHBondContact CD2-OE2 3.4Å; A1123-E1127 PolarHBondContact O-N 3.46Å; F1124-E1127 PolarHBondContact O-N 3.2Å |
| 1128 | V | 74.1 | Confident | 75.8 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.3 | -38.9 | -179.2 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | L1005 L1034 F1124 L1125 H1130 L1131 F1132 | L1005-V1128 HydrophobicContact CD2-CG1 3.92Å; L1034-V1128 HydrophobicContact CD1-CG1 3.75Å; L1034-V1128 HydrophobicContact CD2-CG1 3.91Å; L1034-V1128 HydrophobicContact CG-CG1 4.47Å; F1124-V1128 HydrophobicContact CD2-CG2 4.3Å; F1124-V1128 HydrophobicContact CE1-CG2 4.31Å; F1124-V1128 HydrophobicContact CE2-CG2 3.88Å; F1124-V1128 HydrophobicContact CZ-CG2 3.89Å; F1124-V1128 WeakPolarHBondContact O-CG2 3.23Å; F1124-V1128 PolarHBondContact O-N 3.41Å; L1125-V1128 PolarHBondContact O-N 2.98Å; V1128-H1130 PolarHBondContact O-N 2.82Å; V1128-L1131 VanDerWaalsContact O-CB 3.26Å; V1128-L1131 WeakPolarHBondContact O-CB 3.45Å; V1128-L1131 PolarHBondContact O-N 3.41Å; V1128-F1132 HydrophobicContact CG1-CE2 4.12Å; V1128-F1132 WeakPolarHBondContact O-CD2 3.14Å |
| 1129 | I | 76.9 | Confident | 76.7 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -36.9 | 176.5 | -68.8 | 161.1 | 0 | 0 | 0 | 111.1 | F1035 L1125 L1131 F1132 E1133 | F1035-I1129 HydrophobicContact CE1-CD1 4.11Å; F1035-I1129 HydrophobicContact CE2-CG1 4.32Å; F1035-I1129 HydrophobicContact CZ-CD1 3.53Å; F1035-I1129 HydrophobicContact CZ-CG1 3.61Å; L1125-I1129 WeakPolarHBondContact O-CD1 3.33Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.45Å; L1125-I1129 PolarHBondContact O-N 3.04Å; I1129-L1131 PolarHBondContact O-N 3.19Å; I1129-F1132 WeakPolarHBondContact O-CB 3.39Å; I1129-F1132 PolarHBondContact O-N 2.61Å; I1129-E1133 PolarHBondContact O-N 2.69Å |
| 1130 | H | 79.9 | Confident | 77.4 | Confident | 119 Ų | 119 | 43.8 Ų | 43.8 | 55% | 0.551 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.3 | -22.4 | 176 | -78.5 | -59.2 | 0 | 0 | 0 | 113.5 | A1126 V1128 F1132 E1133 | A1126-H1130 PolarHBondContact O-CD2 3.23Å; A1126-H1130 PolarHBondContact O-N 3.28Å; V1128-H1130 PolarHBondContact O-N 2.82Å; H1130-F1132 VanDerWaalsContact C-N 3.32Å; H1130-E1133 IonicContact CE1-OE2 3.39Å; H1130-E1133 IonicContact ND1-OE2 2.79Å; H1130-E1133 PolarHBondContact ND1-OE2 3.11Å |
| 1131 | L | 80.1 | Confident | 78.1 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.9 | -28.3 | 172.7 | -64.2 | 170.2 | 0 | 0 | 0 | 112.4 | F924 I1009 V1128 I1129 P1134 | F924-L1131 HydrophobicContact CD2-CD2 4.46Å; F924-L1131 HydrophobicContact CE2-CD2 3.48Å; F924-L1131 VanDerWaalsContact CE2-CD2 3.48Å; F924-L1131 HydrophobicContact CE2-CG 4.28Å; F924-L1131 HydrophobicContact CZ-CD1 4.39Å; F924-L1131 HydrophobicContact CZ-CD2 3.55Å; F924-L1131 HydrophobicContact CZ-CG 3.85Å; I1009-L1131 HydrophobicContact CD1-CB 4Å; V1128-L1131 VanDerWaalsContact O-CB 3.26Å; V1128-L1131 WeakPolarHBondContact O-CB 3.45Å; V1128-L1131 PolarHBondContact O-N 3.41Å; I1129-L1131 PolarHBondContact O-N 3.19Å; L1131-P1134 WeakPolarHBondContact O-CD 3.4Å |
| 1132 | F | 84.1 | Confident | 78.8 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -82.6 | -25.8 | 179.3 | -74.6 | -101.4 | 0 | 0 | 0 | 112.6 | L1005 I1009 L1027 M1030 L1031 L1034 V1128 I1129 H1130 V1135 L1136 | L1005-F1132 HydrophobicContact CD1-CE2 4.42Å; L1005-F1132 HydrophobicContact CD1-CZ 4.23Å; I1009-F1132 HydrophobicContact CD1-CD2 3.84Å; I1009-F1132 HydrophobicContact CD1-CE1 4.23Å; I1009-F1132 HydrophobicContact CD1-CE2 3.41Å; I1009-F1132 VanDerWaalsContact CD1-CE2 3.41Å; I1009-F1132 HydrophobicContact CD1-CG 4.4Å; I1009-F1132 HydrophobicContact CD1-CZ 3.64Å; I1009-F1132 HydrophobicContact CG1-CE1 4.2Å; I1009-F1132 HydrophobicContact CG1-CE2 4.25Å; I1009-F1132 HydrophobicContact CG1-CZ 3.98Å; L1027-F1132 HydrophobicContact CD2-CD1 4.06Å; L1027-F1132 HydrophobicContact CD2-CE1 3.97Å; M1030-F1132 HydrophobicContact CB-CE1 4.31Å; M1030-F1132 HydrophobicContact CB-CZ 4.24Å; L1031-F1132 HydrophobicContact CD2-CD1 3.96Å; L1031-F1132 HydrophobicContact CD2-CD2 4.25Å; L1031-F1132 HydrophobicContact CD2-CE1 3.97Å; L1031-F1132 HydrophobicContact CD2-CE2 4.27Å; L1031-F1132 HydrophobicContact CD2-CG 4.1Å; L1031-F1132 HydrophobicContact CD2-CZ 4.13Å; L1031-F1132 HydrophobicContact CG-CD1 4.15Å; L1031-F1132 HydrophobicContact CG-CE1 3.96Å; L1031-F1132 HydrophobicContact CG-CZ 4.42Å; L1034-F1132 HydrophobicContact CD1-CE2 3.4Å; L1034-F1132 HydrophobicContact CD1-CZ 3.53Å; V1128-F1132 HydrophobicContact CG1-CE2 4.12Å; V1128-F1132 WeakPolarHBondContact O-CD2 3.14Å; I1129-F1132 WeakPolarHBondContact O-CB 3.39Å; I1129-F1132 PolarHBondContact O-N 2.61Å; H1130-F1132 VanDerWaalsContact C-N 3.32Å; F1132-V1135 PolarHBondContact O-N 3.06Å; F1132-L1136 HydrophobicContact CB-CD1 4Å; F1132-L1136 HydrophobicContact CB-CG 4.22Å; F1132-L1136 WeakPolarHBondContact O-CG 3.25Å; F1132-L1136 PolarHBondContact O-N 2.96Å |
| 1133 | E | 82.5 | Confident | 79.5 | Confident | 89 Ų | 89 | 38.8 Ų | 38.8 | 42% | 0.416 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -46.2 | -47.3 | -177.1 | -165 | 177.2 | 167.7 | 0 | 0 | 114.2 | I1129 H1130 V1135 L1136 V1137 | I1129-E1133 PolarHBondContact O-N 2.69Å; H1130-E1133 IonicContact CE1-OE2 3.39Å; H1130-E1133 IonicContact ND1-OE2 2.79Å; H1130-E1133 PolarHBondContact ND1-OE2 3.11Å; E1133-V1135 VanDerWaalsContact C-N 3.32Å; E1133-V1135 PolarHBondContact O-N 3.5Å; E1133-L1136 PolarHBondContact O-N 3.24Å; E1133-V1137 VanDerWaalsContact O-CG2 3.29Å; E1133-V1137 WeakPolarHBondContact O-CG2 3.49Å; E1133-V1137 PolarHBondContact O-N 2.99Å |
| 1134 | P | 81.9 | Confident | 79.7 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 35% | 0.351 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.8 | -36.8 | -179.7 | -17.3 | 30.9 | 0 | 0 | 0 | 113.1 | L1131 E1138 | L1131-P1134 WeakPolarHBondContact O-CD 3.4Å; P1134-E1138 PolarHBondContact O-N 3.35Å |
| 1135 | V | 85.5 | Confident | 79.7 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -78 | -38.3 | -178.1 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | I1009 R1013 L1027 F1132 E1133 E1138 A1139 | I1009-V1135 HydrophobicContact CG2-CG2 3.76Å; R1013-V1135 HydrophobicContact CB-CG1 4.33Å; R1013-V1135 HydrophobicContact CB-CG2 3.64Å; R1013-V1135 HydrophobicContact CG-CG2 3.94Å; L1027-V1135 HydrophobicContact CD1-CG1 3.55Å; L1027-V1135 HydrophobicContact CD2-CG1 4.3Å; F1132-V1135 PolarHBondContact O-N 3.06Å; E1133-V1135 VanDerWaalsContact C-N 3.32Å; E1133-V1135 PolarHBondContact O-N 3.5Å; V1135-E1138 PolarHBondContact O-N 3.49Å; V1135-A1139 WeakPolarHBondContact O-CB 3.42Å; V1135-A1139 PolarHBondContact O-N 3.46Å |
| 1136 | L | 84.6 | Confident | 79.7 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 174.9 | -68.3 | 176.4 | 0 | 0 | 0 | 111.4 | F1132 E1133 E1138 A1139 L1140 L1158 L1162 L1172 | F1132-L1136 HydrophobicContact CB-CD1 4Å; F1132-L1136 HydrophobicContact CB-CG 4.22Å; F1132-L1136 WeakPolarHBondContact O-CG 3.25Å; F1132-L1136 PolarHBondContact O-N 2.96Å; E1133-L1136 PolarHBondContact O-N 3.24Å; L1136-E1138 VanDerWaalsContact C-N 3.3Å; L1136-E1138 PolarHBondContact O-N 3.01Å; L1136-A1139 PolarHBondContact O-N 3.19Å; L1136-L1140 WeakPolarHBondContact O-CB 3.44Å; L1136-L1140 VanDerWaalsContact O-CG 3.25Å; L1136-L1140 WeakPolarHBondContact O-CG 3.08Å; L1136-L1140 PolarHBondContact O-N 2.64Å; L1136-L1158 HydrophobicContact CD2-CD1 4.32Å; L1136-L1158 HydrophobicContact CD2-CD2 3.47Å; L1136-L1158 VanDerWaalsContact CD2-CD2 3.47Å; L1136-L1158 HydrophobicContact CD2-CG 4.11Å; L1136-L1162 HydrophobicContact CD1-CD1 3.98Å; L1136-L1162 HydrophobicContact CD2-CD1 4.04Å; L1136-L1172 HydrophobicContact CD1-CD2 4.28Å |
| 1137 | V | 82.7 | Confident | 79.8 | Confident | 85 Ų | 85 | 39.3 Ų | 39.3 | 52% | 0.515 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 111 | E1133 L1140 H1141 | E1133-V1137 VanDerWaalsContact O-CG2 3.29Å; E1133-V1137 WeakPolarHBondContact O-CG2 3.49Å; E1133-V1137 PolarHBondContact O-N 2.99Å; V1137-L1140 PolarHBondContact O-N 3.05Å; V1137-H1141 WeakPolarHBondContact O-CB 3.26Å; V1137-H1141 PolarHBondContact O-N 3.38Å |
| 1138 | E | 83.5 | Confident | 80 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 176.8 | -167.7 | 161.1 | -171.2 | 0 | 0 | 112 | R1013 L1016 R1017 P1134 V1135 L1136 H1141 L1142 | R1013-E1138 WeakPolarHBondContact CG-OE2 3.41Å; R1013-E1138 IonicContact NE-OE2 2.95Å; R1013-E1138 PolarHBondContact NE-OE2 3.09Å; L1016-E1138 HydrophobicContact CD2-CB 4.32Å; L1016-E1138 HydrophobicContact CD2-CG 4.2Å; R1017-E1138 IonicContact CZ-OE1 3.82Å; R1017-E1138 IonicContact NE-OE1 3.41Å; R1017-E1138 PolarHBondContact NE-OE1 3.21Å; R1017-E1138 IonicContact NH2-OE1 3.54Å; R1017-E1138 PolarHBondContact NH2-OE1 2.89Å; P1134-E1138 PolarHBondContact O-N 3.35Å; V1135-E1138 PolarHBondContact O-N 3.49Å; L1136-E1138 VanDerWaalsContact C-N 3.3Å; L1136-E1138 PolarHBondContact O-N 3.01Å; E1138-H1141 PolarHBondContact O-N 3.38Å; E1138-L1142 WeakPolarHBondContact O-CG 3.37Å; E1138-L1142 PolarHBondContact O-N 2.98Å |
| 1139 | A | 84.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1016 V1024 V1135 L1136 H1141 L1142 Y1143 Y1151 | L1016-A1139 HydrophobicContact CD2-CB 4.07Å; V1024-A1139 HydrophobicContact CG2-CB 4.31Å; V1135-A1139 WeakPolarHBondContact O-CB 3.42Å; V1135-A1139 PolarHBondContact O-N 3.46Å; L1136-A1139 PolarHBondContact O-N 3.19Å; A1139-H1141 VanDerWaalsContact C-N 3.33Å; A1139-H1141 PolarHBondContact O-N 3.2Å; A1139-L1142 PolarHBondContact O-N 3.25Å; A1139-Y1143 PolarHBondContact O-N 2.77Å; A1139-Y1151 WeakPolarHBondContact CA-OH 3.48Å; A1139-Y1151 PolarHBondContact O-OH 3.08Å |
| 1140 | L | 82.4 | Confident | 79.9 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 175.6 | -69.5 | 172.8 | 0 | 0 | 0 | 112.1 | L1136 V1137 Y1143 V1155 I1159 L1172 I1178 | L1136-L1140 WeakPolarHBondContact O-CB 3.44Å; L1136-L1140 VanDerWaalsContact O-CG 3.25Å; L1136-L1140 WeakPolarHBondContact O-CG 3.08Å; L1136-L1140 PolarHBondContact O-N 2.64Å; V1137-L1140 PolarHBondContact O-N 3.05Å; L1140-Y1143 WeakPolarHBondContact O-CB 3.29Å; L1140-Y1143 PolarHBondContact O-N 3.26Å; L1140-V1155 HydrophobicContact CD2-CG1 3.98Å; L1140-I1159 HydrophobicContact CD2-CD1 3.61Å; L1140-I1159 HydrophobicContact CD2-CG1 3.99Å; L1140-L1172 HydrophobicContact CD1-CB 4.02Å; L1140-L1172 HydrophobicContact CD1-CD2 4.44Å; L1140-I1178 HydrophobicContact CB-CD1 3.68Å; L1140-I1178 HydrophobicContact CD1-CD1 4.44Å; L1140-I1178 HydrophobicContact CD2-CD1 3.72Å; L1140-I1178 HydrophobicContact CG-CD1 4.13Å |
| 1141 | H | 82.2 | Confident | 80 | Confident | 107 Ų | 107 | 41.1 Ų | 41.1 | 50% | 0.495 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 172.7 | -171.9 | 70 | 0 | 0 | 0 | 111.5 | V1137 E1138 A1139 Y1143 N1144 | V1137-H1141 WeakPolarHBondContact O-CB 3.26Å; V1137-H1141 PolarHBondContact O-N 3.38Å; E1138-H1141 PolarHBondContact O-N 3.38Å; A1139-H1141 VanDerWaalsContact C-N 3.33Å; A1139-H1141 PolarHBondContact O-N 3.2Å; H1141-Y1143 VanDerWaalsContact C-N 3.31Å; H1141-Y1143 PolarHBondContact O-N 2.85Å; H1141-N1144 WeakPolarHBondContact O-CB 3.41Å; H1141-N1144 PolarHBondContact O-N 3.33Å |
| 1142 | L | 80.4 | Confident | 80.2 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 175.3 | -79.4 | 161.2 | 0 | 0 | 0 | 111.7 | T32 L1016 E1138 A1139 N1144 V1145 T1146 Y1151 | T32-L1142 HydrophobicContact CG2-CD2 4.36Å; L1016-L1142 HydrophobicContact CD2-CD1 3.71Å; L1016-L1142 HydrophobicContact CG-CD1 3.83Å; E1138-L1142 WeakPolarHBondContact O-CG 3.37Å; E1138-L1142 PolarHBondContact O-N 2.98Å; A1139-L1142 PolarHBondContact O-N 3.25Å; L1142-N1144 PolarHBondContact O-N 3.41Å; L1142-V1145 WeakPolarHBondContact O-CA 3.43Å; L1142-V1145 PolarHBondContact O-N 3.4Å; L1142-T1146 HydrophobicContact CB-CG2 4.43Å; L1142-T1146 HydrophobicContact CD2-CG2 4.3Å; L1142-T1146 WeakPolarHBondContact O-CG2 3.2Å; L1142-T1146 PolarHBondContact O-N 3.44Å; L1142-T1146 PolarHBondContact O-OG1 3.3Å; L1142-Y1151 HydrophobicContact CB-CE1 3.9Å; L1142-Y1151 WeakPolarHBondContact CB-OH 3.42Å |
| 1143 | Y | 81.8 | Confident | 79.8 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.4 | -39.6 | 175.8 | -176.8 | -88.1 | 0 | 0 | 0 | 112.7 | A1139 L1140 H1141 V1145 Q1152 V1155 V1156 I1178 L1181 F1182 Q1185 | A1139-Y1143 PolarHBondContact O-N 2.77Å; L1140-Y1143 WeakPolarHBondContact O-CB 3.29Å; L1140-Y1143 PolarHBondContact O-N 3.26Å; H1141-Y1143 VanDerWaalsContact C-N 3.31Å; H1141-Y1143 PolarHBondContact O-N 2.85Å; Y1143-V1145 PolarHBondContact O-N 3.04Å; Y1143-Q1152 HydrophobicContact CD2-CB 4.08Å; Y1143-Q1152 HydrophobicContact CD2-CG 3.81Å; Y1143-Q1152 HydrophobicContact CE2-CB 3.56Å; Y1143-Q1152 HydrophobicContact CE2-CG 3.61Å; Y1143-V1155 HydrophobicContact CD2-CB 3.88Å; Y1143-V1155 HydrophobicContact CD2-CG1 3.85Å; Y1143-V1155 HydrophobicContact CD2-CG2 4.42Å; Y1143-V1155 HydrophobicContact CG-CG1 4.35Å; Y1143-V1156 HydrophobicContact CE2-CG2 4.11Å; Y1143-I1178 HydrophobicContact CD1-CG2 3.8Å; Y1143-I1178 HydrophobicContact CE1-CG2 3.78Å; Y1143-L1181 HydrophobicContact CD1-CD2 4.19Å; Y1143-L1181 HydrophobicContact CE1-CD2 3.79Å; Y1143-F1182 WeakPolarHBondContact OH-CD2 3.36Å; Y1143-Q1185 PolarHBondContact OH-OE1 3.3Å |
| 1144 | N | 77.5 | Confident | 79.7 | Confident | 51 Ų | 51 | 38.7 Ų | 38.7 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.6 | -22.6 | 176.8 | -79 | -41.1 | 0 | 0 | 0 | 113.3 | K69 H1141 L1142 | K69-N1144 WeakPolarHBondContact CE-O 3.35Å; K69-N1144 PolarHBondContact NZ-O 2.94Å; H1141-N1144 WeakPolarHBondContact O-CB 3.41Å; H1141-N1144 PolarHBondContact O-N 3.33Å; L1142-N1144 PolarHBondContact O-N 3.41Å |
| 1145 | V | 73.4 | Confident | 79.9 | Confident | 32 Ų | 32 | 36.1 Ų | 36.1 | 19% | 0.194 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -100.8 | -40.5 | -172.9 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | T32 L1142 Y1143 | T32-V1145 HydrophobicContact CG2-CB 4.21Å; T32-V1145 HydrophobicContact CG2-CG1 3.91Å; T32-V1145 HydrophobicContact CG2-CG2 4Å; L1142-V1145 WeakPolarHBondContact O-CA 3.43Å; L1142-V1145 PolarHBondContact O-N 3.4Å; Y1143-V1145 PolarHBondContact O-N 3.04Å |
| 1146 | T | 74.9 | Confident | 79.6 | Confident | 36 Ų | 36 | 37.8 Ų | 37.8 | 22% | 0.221 | 22% | 0.222 | C | C | . | . | trans | -80.1 | 153 | -173.4 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | L1142 Y1151 Q1152 | L1142-T1146 HydrophobicContact CB-CG2 4.43Å; L1142-T1146 HydrophobicContact CD2-CG2 4.3Å; L1142-T1146 WeakPolarHBondContact O-CG2 3.2Å; L1142-T1146 PolarHBondContact O-N 3.44Å; L1142-T1146 PolarHBondContact O-OG1 3.3Å; T1146-Y1151 HydrophobicContact CG2-CD1 4.43Å; T1146-Y1151 VanDerWaalsContact OG1-CD1 3.26Å; T1146-Y1151 WeakPolarHBondContact OG1-CD1 3.23Å; T1146-Q1152 PolarHBondContact O-NE2 3.5Å | ||
| 1147 | C | 71.5 | Confident | 79.1 | Confident | 32 Ų | 32 | 38.5 Ų | 38.5 | 22% | 0.216 | 23% | 0.225 | C | C | . | . | trans | -111.7 | 7.6 | 175.2 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | C1149 | C1147-C1149 PolarHBondContact O-N 3.27Š| ||
| 1148 | S | 76 | Confident | 79.1 | Confident | 50 Ų | 50 | 34.7 Ų | 34.7 | 35% | 0.35 | 20% | 0.202 | S | C | . | . | trans | -74.5 | 119 | 178.8 | 169.9 | 0 | 0 | 0 | 0 | 109.8 | D1150 Y1151 Q1152 | S1148-D1150 VanDerWaalsContact C-N 3.31Å; S1148-D1150 PolarHBondContact O-N 3.37Å; S1148-Y1151 PolarHBondContact O-N 3.26Å; S1148-Y1151 PolarHBondContact OG-N 3.18Å; S1148-Q1152 WeakPolarHBondContact O-CG 3.28Å; S1148-Q1152 PolarHBondContact O-N 3.01Å; S1148-Q1152 VanDerWaalsContact O-N 3.08Å | ||
| 1149 | C | 74.9 | Confident | 79 | Confident | 90 Ų | 90 | 34.1 Ų | 34.1 | 61% | 0.608 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -62.8 | -38.5 | 178.3 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | C1147 Q1152 A1153 | C1147-C1149 PolarHBondContact O-N 3.27Å; C1149-Q1152 PolarHBondContact O-N 3.17Å; C1149-A1153 WeakPolarHBondContact O-CB 3.33Å; C1149-A1153 PolarHBondContact O-N 3.44Å |
| 1150 | D | 74 | Confident | 78.6 | Confident | 118 Ų | 118 | 36.2 Ų | 36.2 | 63% | 0.631 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -65.3 | -42.9 | -179.3 | -57.2 | -43.7 | 0 | 0 | 0 | 111.8 | T1021 S1148 A1153 A1154 | T1021-D1150 HydrophobicContact CG2-CB 4Å; S1148-D1150 VanDerWaalsContact C-N 3.31Å; S1148-D1150 PolarHBondContact O-N 3.37Å; D1150-A1153 PolarHBondContact O-N 3.21Å; D1150-A1154 WeakPolarHBondContact O-CB 3.42Å; D1150-A1154 PolarHBondContact O-N 2.93Å |
| 1151 | Y | 82.5 | Confident | 78.2 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 175.4 | 178.4 | -108.4 | 0 | 0 | 0 | 111.9 | P1020 T1021 V1024 A1139 L1142 T1146 S1148 A1153 A1154 V1155 | P1020-Y1151 VanDerWaalsContact C-CD2 3.41Å; P1020-Y1151 HydrophobicContact CB-CD2 3.51Å; P1020-Y1151 HydrophobicContact CB-CE2 3.51Å; P1020-Y1151 HydrophobicContact CB-CG 4.21Å; P1020-Y1151 HydrophobicContact CG-CD2 4.31Å; P1020-Y1151 WeakPolarHBondContact O-CD2 3.5Å; P1020-Y1151 VanDerWaalsContact O-CE2 3.28Å; P1020-Y1151 WeakPolarHBondContact O-CE2 3.29Å; T1021-Y1151 PolarHBondContact OG1-N 2.87Å; V1024-Y1151 HydrophobicContact CG2-CD2 4.43Å; V1024-Y1151 HydrophobicContact CG2-CE2 3.63Å; A1139-Y1151 WeakPolarHBondContact CA-OH 3.48Å; A1139-Y1151 PolarHBondContact O-OH 3.08Å; L1142-Y1151 HydrophobicContact CB-CE1 3.9Å; L1142-Y1151 WeakPolarHBondContact CB-OH 3.42Å; T1146-Y1151 HydrophobicContact CG2-CD1 4.43Å; T1146-Y1151 VanDerWaalsContact OG1-CD1 3.26Å; T1146-Y1151 WeakPolarHBondContact OG1-CD1 3.23Å; S1148-Y1151 PolarHBondContact O-N 3.26Å; S1148-Y1151 PolarHBondContact OG-N 3.18Å; Y1151-A1153 VanDerWaalsContact C-N 3.28Å; Y1151-A1153 PolarHBondContact O-N 3.15Å; Y1151-A1154 WeakPolarHBondContact O-CB 3.35Å; Y1151-A1154 PolarHBondContact O-N 3.06Å; Y1151-A1154 VanDerWaalsContact O-N 3.14Å; Y1151-V1155 HydrophobicContact CD1-CG2 4.2Å; Y1151-V1155 HydrophobicContact CD2-CG2 4.28Å; Y1151-V1155 HydrophobicContact CE1-CG2 3.72Å; Y1151-V1155 HydrophobicContact CE2-CG2 3.81Å; Y1151-V1155 HydrophobicContact CG-CG2 4.5Å; Y1151-V1155 WeakPolarHBondContact O-CG2 3.38Å; Y1151-V1155 PolarHBondContact O-N 3.49Å |
| 1152 | Q | 82.8 | Confident | 78.1 | Confident | 28 Ų | 28 | 31.4 Ų | 31.4 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 178.1 | -73.9 | 177.9 | -12.9 | 0 | 0 | 111.1 | Y1143 T1146 S1148 C1149 V1155 V1156 | Y1143-Q1152 HydrophobicContact CD2-CB 4.08Å; Y1143-Q1152 HydrophobicContact CD2-CG 3.81Å; Y1143-Q1152 HydrophobicContact CE2-CB 3.56Å; Y1143-Q1152 HydrophobicContact CE2-CG 3.61Å; T1146-Q1152 PolarHBondContact O-NE2 3.5Å; S1148-Q1152 WeakPolarHBondContact O-CG 3.28Å; S1148-Q1152 PolarHBondContact O-N 3.01Å; S1148-Q1152 VanDerWaalsContact O-N 3.08Å; C1149-Q1152 PolarHBondContact O-N 3.17Å; Q1152-V1155 PolarHBondContact O-N 3.38Å; Q1152-V1156 VanDerWaalsContact O-CG2 3.27Å; Q1152-V1156 WeakPolarHBondContact O-CG2 3.32Å; Q1152-V1156 PolarHBondContact O-N 3.09Å |
| 1153 | A | 77.1 | Confident | 77.9 | Confident | 34 Ų | 34 | 34.7 Ų | 34.7 | 28% | 0.281 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P726 C1149 D1150 Y1151 V1155 V1156 N1157 | P726-A1153 HydrophobicContact CG-CB 4.5Å; C1149-A1153 WeakPolarHBondContact O-CB 3.33Å; C1149-A1153 PolarHBondContact O-N 3.44Å; D1150-A1153 PolarHBondContact O-N 3.21Å; Y1151-A1153 VanDerWaalsContact C-N 3.28Å; Y1151-A1153 PolarHBondContact O-N 3.15Å; A1153-V1155 VanDerWaalsContact C-N 3.33Å; A1153-V1155 PolarHBondContact O-N 2.87Å; A1153-V1156 PolarHBondContact O-N 3.17Å; A1153-N1157 PolarHBondContact O-N 3.18Å; A1153-N1157 PolarHBondContact O-ND2 2.83Å; A1153-N1157 PolarHBondContact O-OD1 3.43Å |
| 1154 | A | 80.3 | Confident | 77.4 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 12% | 0.116 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1021 V1024 D1150 Y1151 N1157 L1158 | T1021-A1154 HydrophobicContact CG2-CB 4.1Å; V1024-A1154 HydrophobicContact CB-CB 4.26Å; V1024-A1154 HydrophobicContact CG1-CB 3.82Å; V1024-A1154 WeakPolarHBondContact CG1-O 2.86Å; D1150-A1154 WeakPolarHBondContact O-CB 3.42Å; D1150-A1154 PolarHBondContact O-N 2.93Å; Y1151-A1154 WeakPolarHBondContact O-CB 3.35Å; Y1151-A1154 PolarHBondContact O-N 3.06Å; Y1151-A1154 VanDerWaalsContact O-N 3.14Å; A1154-N1157 WeakPolarHBondContact O-CB 3.5Å; A1154-N1157 PolarHBondContact O-N 2.76Å; A1154-L1158 PolarHBondContact O-N 3.42Å |
| 1155 | V | 84.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 176.1 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | V1024 L1140 Y1143 Y1151 Q1152 A1153 N1157 L1158 I1159 | V1024-V1155 HydrophobicContact CG1-CG2 4.35Å; V1024-V1155 HydrophobicContact CG2-CG2 4.26Å; L1140-V1155 HydrophobicContact CD2-CG1 3.98Å; Y1143-V1155 HydrophobicContact CD2-CB 3.88Å; Y1143-V1155 HydrophobicContact CD2-CG1 3.85Å; Y1143-V1155 HydrophobicContact CD2-CG2 4.42Å; Y1143-V1155 HydrophobicContact CG-CG1 4.35Å; Y1151-V1155 HydrophobicContact CD1-CG2 4.2Å; Y1151-V1155 HydrophobicContact CD2-CG2 4.28Å; Y1151-V1155 HydrophobicContact CE1-CG2 3.72Å; Y1151-V1155 HydrophobicContact CE2-CG2 3.81Å; Y1151-V1155 HydrophobicContact CG-CG2 4.5Å; Y1151-V1155 WeakPolarHBondContact O-CG2 3.38Å; Y1151-V1155 PolarHBondContact O-N 3.49Å; Q1152-V1155 PolarHBondContact O-N 3.38Å; A1153-V1155 VanDerWaalsContact C-N 3.33Å; A1153-V1155 PolarHBondContact O-N 2.87Å; V1155-N1157 PolarHBondContact O-N 3.05Å; V1155-L1158 WeakPolarHBondContact O-CB 3.33Å; V1155-L1158 PolarHBondContact O-N 3.08Å; V1155-L1158 VanDerWaalsContact O-N 3.17Å; V1155-I1159 HydrophobicContact CG1-CD1 3.97Å; V1155-I1159 HydrophobicContact CG1-CG1 4.36Å; V1155-I1159 WeakPolarHBondContact O-CG1 3.5Å; V1155-I1159 PolarHBondContact O-N 3.21Å |
| 1156 | V | 80.5 | Confident | 77 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -38.1 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | Y1143 Q1152 A1153 I1159 S1160 F1182 | Y1143-V1156 HydrophobicContact CE2-CG2 4.11Å; Q1152-V1156 VanDerWaalsContact O-CG2 3.27Å; Q1152-V1156 WeakPolarHBondContact O-CG2 3.32Å; Q1152-V1156 PolarHBondContact O-N 3.09Å; A1153-V1156 PolarHBondContact O-N 3.17Å; V1156-I1159 PolarHBondContact O-N 2.94Å; V1156-S1160 WeakPolarHBondContact O-CB 3.29Å; V1156-S1160 PolarHBondContact O-N 3.28Å; V1156-S1160 PolarHBondContact O-OG 2.9Å; V1156-F1182 HydrophobicContact CG2-CD2 4.39Å; V1156-F1182 HydrophobicContact CG2-CE2 4.15Å |
| 1157 | N | 74.1 | Confident | 77 | Confident | 25 Ų | 25 | 37 Ų | 37 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -43 | 175.3 | -61.3 | -27.4 | 0 | 0 | 0 | 111.9 | P726 I728 A1153 A1154 V1155 S1160 H1161 | P726-N1157 WeakPolarHBondContact CB-ND2 3.4Å; I728-N1157 HydrophobicContact CD1-CB 4.42Å; I728-N1157 WeakPolarHBondContact CD1-OD1 3.45Å; I728-N1157 HydrophobicContact CG1-CB 4.25Å; I728-N1157 VanDerWaalsContact CG1-CG 3.43Å; I728-N1157 WeakPolarHBondContact CG1-ND2 3.38Å; I728-N1157 WeakPolarHBondContact CG1-OD1 3.15Å; I728-N1157 HydrophobicContact CG2-CB 4.38Å; A1153-N1157 PolarHBondContact O-N 3.18Å; A1153-N1157 PolarHBondContact O-ND2 2.83Å; A1153-N1157 PolarHBondContact O-OD1 3.43Å; A1154-N1157 WeakPolarHBondContact O-CB 3.5Å; A1154-N1157 PolarHBondContact O-N 2.76Å; V1155-N1157 PolarHBondContact O-N 3.05Å; N1157-S1160 PolarHBondContact O-N 3.11Å; N1157-H1161 WeakPolarHBondContact O-CB 3.34Å; N1157-H1161 PolarHBondContact O-N 2.94Å |
| 1158 | L | 81.7 | Confident | 77 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 175.7 | 178.1 | 64.9 | 0 | 0 | 0 | 111.5 | V1024 L1031 L1136 A1154 V1155 S1160 H1161 L1162 | V1024-L1158 HydrophobicContact CG1-CB 4.17Å; V1024-L1158 HydrophobicContact CG1-CD2 4.1Å; L1031-L1158 HydrophobicContact CD1-CD1 3.57Å; L1136-L1158 HydrophobicContact CD2-CD1 4.32Å; L1136-L1158 HydrophobicContact CD2-CD2 3.47Å; L1136-L1158 VanDerWaalsContact CD2-CD2 3.47Å; L1136-L1158 HydrophobicContact CD2-CG 4.11Å; A1154-L1158 PolarHBondContact O-N 3.42Å; V1155-L1158 WeakPolarHBondContact O-CB 3.33Å; V1155-L1158 PolarHBondContact O-N 3.08Å; V1155-L1158 VanDerWaalsContact O-N 3.17Å; L1158-S1160 VanDerWaalsContact C-N 3.34Å; L1158-S1160 PolarHBondContact O-N 2.96Å; L1158-H1161 PolarHBondContact O-N 2.67Å; L1158-L1162 HydrophobicContact CD1-CD1 4.45Å; L1158-L1162 HydrophobicContact CG-CD1 4.21Å; L1158-L1162 WeakPolarHBondContact O-CG 3.15Å; L1158-L1162 PolarHBondContact O-N 3.09Å |
| 1159 | I | 81.8 | Confident | 77 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.097 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 176.2 | -66.4 | 168.7 | 0 | 0 | 0 | 110.4 | L1140 V1155 V1156 H1161 L1162 I1163 Y1169 | L1140-I1159 HydrophobicContact CD2-CD1 3.61Å; L1140-I1159 HydrophobicContact CD2-CG1 3.99Å; V1155-I1159 HydrophobicContact CG1-CD1 3.97Å; V1155-I1159 HydrophobicContact CG1-CG1 4.36Å; V1155-I1159 WeakPolarHBondContact O-CG1 3.5Å; V1155-I1159 PolarHBondContact O-N 3.21Å; V1156-I1159 PolarHBondContact O-N 2.94Å; I1159-H1161 VanDerWaalsContact C-N 3.3Å; I1159-H1161 PolarHBondContact O-N 3.28Å; I1159-L1162 PolarHBondContact O-N 3.45Å; I1159-I1163 HydrophobicContact CG2-CD1 3.74Å; I1159-I1163 HydrophobicContact CG2-CG1 4.31Å; I1159-I1163 VanDerWaalsContact O-CG1 3.3Å; I1159-I1163 WeakPolarHBondContact O-CG1 3.38Å; I1159-I1163 PolarHBondContact O-N 3.12Å; I1159-Y1169 HydrophobicContact CG2-CD2 4.16Å; I1159-Y1169 HydrophobicContact CG2-CE2 3.89Å |
| 1160 | S | 75.8 | Confident | 77.1 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 31% | 0.308 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 178 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | V1156 N1157 L1158 I1163 L1164 | V1156-S1160 WeakPolarHBondContact O-CB 3.29Å; V1156-S1160 PolarHBondContact O-N 3.28Å; V1156-S1160 PolarHBondContact O-OG 2.9Å; N1157-S1160 PolarHBondContact O-N 3.11Å; L1158-S1160 VanDerWaalsContact C-N 3.34Å; L1158-S1160 PolarHBondContact O-N 2.96Å; S1160-I1163 PolarHBondContact O-N 3.33Å; S1160-L1164 WeakPolarHBondContact O-CG 3.47Å; S1160-L1164 PolarHBondContact O-N 3.2Å; S1160-L1164 VanDerWaalsContact O-N 3.07Å |
| 1161 | H | 74.6 | Confident | 77.2 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 175.8 | -165.3 | 64.8 | 0 | 0 | 0 | 112.4 | T1037 N1157 L1158 I1159 I1163 L1164 I1165 | T1037-H1161 PolarHBondContact OG1-CE1 3.02Å; N1157-H1161 WeakPolarHBondContact O-CB 3.34Å; N1157-H1161 PolarHBondContact O-N 2.94Å; L1158-H1161 PolarHBondContact O-N 2.67Å; I1159-H1161 VanDerWaalsContact C-N 3.3Å; I1159-H1161 PolarHBondContact O-N 3.28Å; H1161-I1163 PolarHBondContact O-N 3.16Å; H1161-L1164 PolarHBondContact O-N 2.95Å; H1161-I1165 VanDerWaalsContact CD2-CD1 3.4Å; H1161-I1165 WeakPolarHBondContact CD2-CD1 3.36Å; H1161-I1165 WeakPolarHBondContact NE2-CD1 3.42Å; H1161-I1165 WeakPolarHBondContact O-CD1 3.41Å; H1161-I1165 VanDerWaalsContact O-CG1 3.3Å; H1161-I1165 WeakPolarHBondContact O-CG1 3.46Å; H1161-I1165 PolarHBondContact O-N 3.38Å |
| 1162 | L | 80 | Confident | 76.9 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.9 | -71.6 | 170.5 | 0 | 0 | 0 | 112.7 | L1031 L1136 L1158 I1159 L1164 I1165 R1166 V1167 L1172 | L1031-L1162 HydrophobicContact CD1-CD2 4.01Å; L1136-L1162 HydrophobicContact CD1-CD1 3.98Å; L1136-L1162 HydrophobicContact CD2-CD1 4.04Å; L1158-L1162 HydrophobicContact CD1-CD1 4.45Å; L1158-L1162 HydrophobicContact CG-CD1 4.21Å; L1158-L1162 WeakPolarHBondContact O-CG 3.15Å; L1158-L1162 PolarHBondContact O-N 3.09Å; I1159-L1162 PolarHBondContact O-N 3.45Å; L1162-L1164 VanDerWaalsContact C-N 3.34Å; L1162-I1165 PolarHBondContact O-N 3Å; L1162-R1166 PolarHBondContact O-N 2.94Å; L1162-V1167 HydrophobicContact CB-CB 4.35Å; L1162-V1167 HydrophobicContact CD2-CG2 4.22Å; L1162-V1167 WeakPolarHBondContact O-CB 3.37Å; L1162-V1167 PolarHBondContact O-N 3.29Å; L1162-L1172 HydrophobicContact CB-CD1 4.19Å; L1162-L1172 HydrophobicContact CD1-CD1 3.79Å; L1162-L1172 HydrophobicContact CD1-CD2 4.21Å |
| 1163 | I | 76.4 | Confident | 76.6 | Confident | 84 Ų | 84 | 39.6 Ų | 39.6 | 43% | 0.431 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.9 | -69 | 168 | 0 | 0 | 0 | 109.9 | I1159 S1160 H1161 I1165 R1166 Y1169 | I1159-I1163 HydrophobicContact CG2-CD1 3.74Å; I1159-I1163 HydrophobicContact CG2-CG1 4.31Å; I1159-I1163 VanDerWaalsContact O-CG1 3.3Å; I1159-I1163 WeakPolarHBondContact O-CG1 3.38Å; I1159-I1163 PolarHBondContact O-N 3.12Å; S1160-I1163 PolarHBondContact O-N 3.33Å; H1161-I1163 PolarHBondContact O-N 3.16Å; I1163-I1165 VanDerWaalsContact C-N 3.27Å; I1163-I1165 PolarHBondContact O-N 3.37Å; I1163-R1166 WeakPolarHBondContact O-CA 3.22Å; I1163-R1166 PolarHBondContact O-N 3.37Å; I1163-Y1169 HydrophobicContact CD1-CD2 4.14Å; I1163-Y1169 HydrophobicContact CG1-CD2 4.49Å |
| 1164 | L | 70.3 | Confident | 76.7 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.1 | -32 | 177.6 | -72.5 | 179.2 | 0 | 0 | 0 | 113 | W1103 L1104 Y1108 I1112 S1160 H1161 L1162 R1166 | W1103-L1164 HydrophobicContact CD2-CD1 4.46Å; W1103-L1164 HydrophobicContact CE3-CD1 3.24Å; W1103-L1164 HydrophobicContact CH2-CD1 4.2Å; W1103-L1164 HydrophobicContact CZ3-CD1 3.1Å; W1103-L1164 HydrophobicContact CZ3-CG 4.42Å; L1104-L1164 HydrophobicContact CD2-CD1 3.98Å; L1104-L1164 HydrophobicContact CD2-CD2 3.7Å; L1104-L1164 HydrophobicContact CD2-CG 4.44Å; Y1108-L1164 HydrophobicContact CD1-CB 4.49Å; Y1108-L1164 HydrophobicContact CE1-CB 3.68Å; I1112-L1164 VanDerWaalsContact CD1-O 3.23Å; I1112-L1164 WeakPolarHBondContact CD1-O 3.38Å; S1160-L1164 WeakPolarHBondContact O-CG 3.47Å; S1160-L1164 PolarHBondContact O-N 3.2Å; S1160-L1164 VanDerWaalsContact O-N 3.07Å; H1161-L1164 PolarHBondContact O-N 2.95Å; L1162-L1164 VanDerWaalsContact C-N 3.34Å; L1164-R1166 PolarHBondContact O-N 2.97Å |
| 1165 | I | 71.4 | Confident | 76.6 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -0.2 | 172.9 | -64.3 | 161.2 | 0 | 0 | 0 | 112.8 | F1035 H1161 L1162 I1163 | F1035-I1165 HydrophobicContact CB-CD1 4.45Å; F1035-I1165 HydrophobicContact CD1-CG2 3.56Å; F1035-I1165 HydrophobicContact CD2-CD1 3.67Å; F1035-I1165 HydrophobicContact CD2-CG1 4.42Å; F1035-I1165 HydrophobicContact CD2-CG2 4.06Å; F1035-I1165 HydrophobicContact CE1-CG2 3.37Å; F1035-I1165 HydrophobicContact CE2-CD1 4.07Å; F1035-I1165 HydrophobicContact CE2-CG2 3.9Å; F1035-I1165 HydrophobicContact CG-CD1 4.08Å; F1035-I1165 HydrophobicContact CG-CG1 4.38Å; F1035-I1165 HydrophobicContact CG-CG2 3.9Å; F1035-I1165 HydrophobicContact CZ-CG2 3.54Å; H1161-I1165 VanDerWaalsContact CD2-CD1 3.4Å; H1161-I1165 WeakPolarHBondContact CD2-CD1 3.36Å; H1161-I1165 WeakPolarHBondContact NE2-CD1 3.42Å; H1161-I1165 WeakPolarHBondContact O-CD1 3.41Å; H1161-I1165 VanDerWaalsContact O-CG1 3.3Å; H1161-I1165 WeakPolarHBondContact O-CG1 3.46Å; H1161-I1165 PolarHBondContact O-N 3.38Å; L1162-I1165 PolarHBondContact O-N 3Å; I1163-I1165 VanDerWaalsContact C-N 3.27Å; I1163-I1165 PolarHBondContact O-N 3.37Å |
| 1166 | R | 72.5 | Confident | 76.3 | Confident | 126 Ų | 126 | 48.7 Ų | 48.7 | 48% | 0.475 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 29.7 | -177.2 | -54.4 | -176.3 | 166.6 | -163.6 | -2.4 | 114.8 | I1112 N1113 L1162 I1163 L1164 N1168 | I1112-R1166 HydrophobicContact CG2-CG 4.25Å; N1113-R1166 PolarHBondContact ND2-NH2 3.35Å; N1113-R1166 PolarHBondContact OD1-NH1 3.34Å; N1113-R1166 PolarHBondContact OD1-NH2 2.84Å; L1162-R1166 PolarHBondContact O-N 2.94Å; I1163-R1166 WeakPolarHBondContact O-CA 3.22Å; I1163-R1166 PolarHBondContact O-N 3.37Å; L1164-R1166 PolarHBondContact O-N 2.97Å; R1166-N1168 PolarHBondContact O-N 3.48Å |
| 1167 | V | 74.4 | Confident | 76.1 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 16% | 0.164 | 29% | 0.287 | C | S | . | . | trans | -73.2 | 123.2 | 162.4 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | L1162 Y1169 L1172 | L1162-V1167 HydrophobicContact CB-CB 4.35Å; L1162-V1167 HydrophobicContact CD2-CG2 4.22Å; L1162-V1167 WeakPolarHBondContact O-CB 3.37Å; L1162-V1167 PolarHBondContact O-N 3.29Å; V1167-Y1169 PolarHBondContact O-N 3.34Å; V1167-L1172 HydrophobicContact CG1-CG 4.48Å | ||
| 1168 | N | 72.3 | Confident | 76.2 | Confident | 114 Ų | 114 | 53.9 Ų | 53.9 | 61% | 0.61 | 28% | 0.283 | S | S | * | . | trans | -61 | 125.3 | 177.5 | -73.4 | -28 | 0 | 0 | 0 | 109.8 | R1166 S1170 V1171 | R1166-N1168 PolarHBondContact O-N 3.48Å; N1168-S1170 PolarHBondContact O-N 3.04Å; N1168-S1170 VanDerWaalsContact O-N 3.13Å; N1168-V1171 HydrophobicContact CB-CG2 4.03Å; N1168-V1171 WeakPolarHBondContact O-CB 3.5Å; N1168-V1171 PolarHBondContact O-N 3.49Å | ||
| 1169 | Y | 74.9 | Confident | 76.1 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 21% | 0.212 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.6 | -32 | 179.2 | -175.2 | -103.9 | 0 | 0 | 0 | 112.5 | I1159 I1163 V1167 V1171 L1172 D1173 L1179 | I1159-Y1169 HydrophobicContact CG2-CD2 4.16Å; I1159-Y1169 HydrophobicContact CG2-CE2 3.89Å; I1163-Y1169 HydrophobicContact CD1-CD2 4.14Å; I1163-Y1169 HydrophobicContact CG1-CD2 4.49Å; V1167-Y1169 PolarHBondContact O-N 3.34Å; Y1169-V1171 PolarHBondContact O-N 2.84Å; Y1169-V1171 VanDerWaalsContact O-N 3.12Å; Y1169-L1172 PolarHBondContact O-N 3.31Å; Y1169-D1173 HydrophobicContact CE1-CB 3.88Å; Y1169-D1173 PolarHBondContact O-N 3.31Å; Y1169-D1173 PolarHBondContact OH-OD2 3.11Å; Y1169-L1179 HydrophobicContact CE1-CB 4.18Å; Y1169-L1179 HydrophobicContact CE1-CD2 4.5Å; Y1169-L1179 PolarHBondContact OH-N 2.93Å |
| 1170 | S | 77.9 | Confident | 76 | Confident | 76 Ų | 76 | 60.9 Ų | 60.9 | 53% | 0.531 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -17.6 | 175.9 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | N1168 P1174 | N1168-S1170 PolarHBondContact O-N 3.04Å; N1168-S1170 VanDerWaalsContact O-N 3.13Å; S1170-P1174 VanDerWaalsContact O-CA 3.32Å; S1170-P1174 WeakPolarHBondContact O-CA 3.28Å |
| 1171 | V | 76.4 | Confident | 76 | Confident | 90 Ų | 90 | 60.7 Ų | 60.7 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -79.6 | -32.1 | 174.2 | 179 | 0 | 0 | 0 | 0 | 111 | N1168 Y1169 | N1168-V1171 HydrophobicContact CB-CG2 4.03Å; N1168-V1171 WeakPolarHBondContact O-CB 3.5Å; N1168-V1171 PolarHBondContact O-N 3.49Å; Y1169-V1171 PolarHBondContact O-N 2.84Å; Y1169-V1171 VanDerWaalsContact O-N 3.12Å |
| 1172 | L | 74.9 | Confident | 76.1 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -85.5 | -43.1 | -179.3 | -61.8 | 172.5 | 0 | 0 | 0 | 111.5 | L1136 L1140 L1162 V1167 Y1169 | L1136-L1172 HydrophobicContact CD1-CD2 4.28Å; L1140-L1172 HydrophobicContact CD1-CB 4.02Å; L1140-L1172 HydrophobicContact CD1-CD2 4.44Å; L1162-L1172 HydrophobicContact CB-CD1 4.19Å; L1162-L1172 HydrophobicContact CD1-CD1 3.79Å; L1162-L1172 HydrophobicContact CD1-CD2 4.21Å; V1167-L1172 HydrophobicContact CG1-CG 4.48Å; Y1169-L1172 PolarHBondContact O-N 3.31Å |
| 1173 | D | 76.4 | Confident | 76 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.064 | 35% | 0.347 | C | S | . | . | trans | -135.1 | 80 | -179.2 | -171.4 | 10.5 | 0 | 0 | 0 | 110.6 | Y1169 D1175 S1176 R1177 I1178 | Y1169-D1173 HydrophobicContact CE1-CB 3.88Å; Y1169-D1173 PolarHBondContact O-N 3.31Å; Y1169-D1173 PolarHBondContact OH-OD2 3.11Å; D1173-D1175 PolarHBondContact O-N 3.36Å; D1173-D1175 VanDerWaalsContact O-N 3.17Å; D1173-S1176 VanDerWaalsContact CG-CA 3.5Å; D1173-S1176 PolarHBondContact O-N 3.41Å; D1173-S1176 VanDerWaalsContact O-N 3.16Å; D1173-S1176 PolarHBondContact OD1-N 3.02Å; D1173-S1176 VanDerWaalsContact OD1-N 3.15Å; D1173-S1176 WeakPolarHBondContact OD2-CA 3.33Å; D1173-R1177 PolarHBondContact OD1-N 3.43Å; D1173-R1177 PolarHBondContact OD2-N 2.97Å; D1173-I1178 WeakPolarHBondContact OD2-CB 3.42Å; D1173-I1178 PolarHBondContact OD2-N 3.45Å | ||
| 1174 | P | 79.4 | Confident | 75.9 | Confident | 98 Ų | 98 | 68 Ų | 68 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.3 | -177.2 | 23.8 | -33.4 | 0 | 0 | 0 | 113 | S1170 | S1170-P1174 VanDerWaalsContact O-CA 3.32Å; S1170-P1174 WeakPolarHBondContact O-CA 3.28Å |
| 1175 | D | 78.4 | Confident | 76.2 | Confident | 93 Ų | 93 | 69 Ų | 69 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -0.5 | -178.3 | -72.3 | -6.3 | 0 | 0 | 0 | 113.2 | D1173 R1177 | D1173-D1175 PolarHBondContact O-N 3.36Å; D1173-D1175 VanDerWaalsContact O-N 3.17Å; D1175-R1177 HydrophobicContact CB-CG 3.73Å; D1175-R1177 PolarHBondContact O-N 3.05Å; D1175-R1177 VanDerWaalsContact O-N 3.11Å; D1175-R1177 IonicContact OD2-CZ 3.44Å; D1175-R1177 IonicContact OD2-NE 2.68Å; D1175-R1177 PolarHBondContact OD2-NE 3.31Å; D1175-R1177 IonicContact OD2-NH2 3.78Å; D1175-R1177 PolarHBondContact OD2-NH2 2.87Å |
| 1176 | S | 78.7 | Confident | 76 | Confident | 48 Ų | 48 | 72.2 Ų | 72.2 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | trans | 54.4 | 23.3 | -175.3 | -53.9 | 0 | 0 | 0 | 0 | 115.3 | D1173 I1178 L1179 D1180 | D1173-S1176 VanDerWaalsContact CG-CA 3.5Å; D1173-S1176 PolarHBondContact O-N 3.41Å; D1173-S1176 VanDerWaalsContact O-N 3.16Å; D1173-S1176 PolarHBondContact OD1-N 3.02Å; D1173-S1176 VanDerWaalsContact OD1-N 3.15Å; D1173-S1176 WeakPolarHBondContact OD2-CA 3.33Å; S1176-I1178 PolarHBondContact O-N 3.34Å; S1176-L1179 PolarHBondContact O-N 3.07Å; S1176-D1180 PolarHBondContact O-N 3.28Å | ||
| 1177 | R | 76.5 | Confident | 75.7 | Confident | 160 Ų | 160 | 69.9 Ų | 69.9 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.4 | -35.8 | -175.9 | -66.3 | 179.7 | -168.7 | -167.7 | 4.5 | 112.9 | D1173 D1175 L1181 | D1173-R1177 PolarHBondContact OD1-N 3.43Å; D1173-R1177 PolarHBondContact OD2-N 2.97Å; D1175-R1177 HydrophobicContact CB-CG 3.73Å; D1175-R1177 PolarHBondContact O-N 3.05Å; D1175-R1177 VanDerWaalsContact O-N 3.11Å; D1175-R1177 IonicContact OD2-CZ 3.44Å; D1175-R1177 IonicContact OD2-NE 2.68Å; D1175-R1177 PolarHBondContact OD2-NE 3.31Å; D1175-R1177 IonicContact OD2-NH2 3.78Å; D1175-R1177 PolarHBondContact OD2-NH2 2.87Å; R1177-L1181 WeakPolarHBondContact O-CB 3.34Å; R1177-L1181 PolarHBondContact O-N 3.5Å |
| 1178 | I | 75.9 | Confident | 75.2 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.062 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -74.1 | -40 | -178.9 | -61.3 | 176 | 0 | 0 | 0 | 109.2 | L1140 Y1143 D1173 S1176 L1181 F1182 | L1140-I1178 HydrophobicContact CB-CD1 3.68Å; L1140-I1178 HydrophobicContact CD1-CD1 4.44Å; L1140-I1178 HydrophobicContact CD2-CD1 3.72Å; L1140-I1178 HydrophobicContact CG-CD1 4.13Å; Y1143-I1178 HydrophobicContact CD1-CG2 3.8Å; Y1143-I1178 HydrophobicContact CE1-CG2 3.78Å; D1173-I1178 WeakPolarHBondContact OD2-CB 3.42Å; D1173-I1178 PolarHBondContact OD2-N 3.45Å; S1176-I1178 PolarHBondContact O-N 3.34Å; I1178-L1181 PolarHBondContact O-N 3.4Å; I1178-F1182 WeakPolarHBondContact O-CB 3.36Å; I1178-F1182 PolarHBondContact O-N 3.32Å |
| 1179 | L | 78.9 | Confident | 74.7 | Confident | 76 Ų | 76 | 72.2 Ų | 72.2 | 40% | 0.398 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 173.7 | -174.6 | 64.2 | 0 | 0 | 0 | 111.4 | Y1169 S1176 L1181 F1182 C1183 | Y1169-L1179 HydrophobicContact CE1-CB 4.18Å; Y1169-L1179 HydrophobicContact CE1-CD2 4.5Å; Y1169-L1179 PolarHBondContact OH-N 2.93Å; S1176-L1179 PolarHBondContact O-N 3.07Å; L1179-L1181 VanDerWaalsContact C-N 3.34Å; L1179-L1181 PolarHBondContact O-N 3.08Å; L1179-F1182 PolarHBondContact O-N 2.86Å; L1179-C1183 PolarHBondContact O-N 2.92Å; L1179-C1183 PolarHBondContact O-SG 3.4Å |
| 1180 | D | 79.8 | Confident | 73.9 | Confident | 95 Ų | 95 | 73 Ų | 73 | 51% | 0.508 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 177.3 | -74.8 | -16.7 | 0 | 0 | 0 | 111.8 | S1176 C1183 Q1184 | S1176-D1180 PolarHBondContact O-N 3.28Å; D1180-C1183 PolarHBondContact O-N 3.33Å; D1180-Q1184 WeakPolarHBondContact O-CG 3.03Å; D1180-Q1184 PolarHBondContact O-N 2.74Å |
| 1181 | L | 76.8 | Confident | 72.6 | Confident | 40 Ų | 40 | 75 Ų | 75 | 21% | 0.209 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.3 | -168.3 | 103 | 0 | 0 | 0 | 111.5 | Y1143 R1177 I1178 L1179 Q1184 Q1185 | Y1143-L1181 HydrophobicContact CD1-CD2 4.19Å; Y1143-L1181 HydrophobicContact CE1-CD2 3.79Å; R1177-L1181 WeakPolarHBondContact O-CB 3.34Å; R1177-L1181 PolarHBondContact O-N 3.5Å; I1178-L1181 PolarHBondContact O-N 3.4Å; L1179-L1181 VanDerWaalsContact C-N 3.34Å; L1179-L1181 PolarHBondContact O-N 3.08Å; L1181-Q1184 PolarHBondContact O-N 3.36Å; L1181-Q1185 WeakPolarHBondContact O-CG 3.4Å; L1181-Q1185 PolarHBondContact O-N 2.89Å |
| 1182 | F | 76.8 | Confident | 71.5 | Confident | 70 Ų | 70 | 73.1 Ų | 73.1 | 31% | 0.307 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 177.1 | -179.5 | -113.1 | 0 | 0 | 0 | 111.5 | Y1143 V1156 I1178 L1179 Q1184 Q1185 L1186 | Y1143-F1182 WeakPolarHBondContact OH-CD2 3.36Å; V1156-F1182 HydrophobicContact CG2-CD2 4.39Å; V1156-F1182 HydrophobicContact CG2-CE2 4.15Å; I1178-F1182 WeakPolarHBondContact O-CB 3.36Å; I1178-F1182 PolarHBondContact O-N 3.32Å; L1179-F1182 PolarHBondContact O-N 2.86Å; F1182-Q1184 PolarHBondContact O-N 3.21Å; F1182-Q1185 PolarHBondContact O-N 3.15Å; F1182-L1186 HydrophobicContact CD1-CD1 3.61Å; F1182-L1186 HydrophobicContact CD1-CG 4.48Å; F1182-L1186 HydrophobicContact CE1-CD1 3.25Å; F1182-L1186 HydrophobicContact CE1-CG 4.16Å; F1182-L1186 HydrophobicContact CE2-CD1 4.25Å; F1182-L1186 HydrophobicContact CE2-CG 4.3Å; F1182-L1186 HydrophobicContact CG-CD1 4.26Å; F1182-L1186 HydrophobicContact CZ-CD1 3.61Å; F1182-L1186 HydrophobicContact CZ-CD2 4.41Å; F1182-L1186 HydrophobicContact CZ-CG 4.06Å; F1182-L1186 WeakPolarHBondContact O-CB 3.42Å; F1182-L1186 WeakPolarHBondContact O-CG 3.4Å; F1182-L1186 PolarHBondContact O-N 2.98Å |
| 1183 | C | 76.1 | Confident | 70.7 | Confident | 67 Ų | 67 | 75.6 Ų | 75.6 | 45% | 0.453 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 174.9 | -67.9 | 0 | 0 | 0 | 0 | 112 | L1179 D1180 L1186 S1187 | L1179-C1183 PolarHBondContact O-N 2.92Å; L1179-C1183 PolarHBondContact O-SG 3.4Å; D1180-C1183 PolarHBondContact O-N 3.33Å; C1183-L1186 PolarHBondContact O-N 2.93Å; C1183-S1187 PolarHBondContact O-N 2.97Å |
| 1184 | Q | 76 | Confident | 69.8 | Low | 124 Ų | 124 | 76.5 Ų | 76.5 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 174.6 | -72.8 | 175.7 | 12.1 | 0 | 0 | 111.7 | D1180 L1181 F1182 S1187 S1188 | D1180-Q1184 WeakPolarHBondContact O-CG 3.03Å; D1180-Q1184 PolarHBondContact O-N 2.74Å; L1181-Q1184 PolarHBondContact O-N 3.36Å; F1182-Q1184 PolarHBondContact O-N 3.21Å; Q1184-S1187 PolarHBondContact O-N 3.36Å; Q1184-S1187 PolarHBondContact O-OG 3.4Å; Q1184-S1188 PolarHBondContact O-N 2.97Å |
| 1185 | Q | 74.9 | Confident | 68.8 | Low | 39 Ų | 39 | 73 Ų | 73 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 176.8 | -73.1 | 174.8 | -16.5 | 0 | 0 | 111.7 | Y1143 L1181 F1182 S1187 S1188 H1189 | Y1143-Q1185 PolarHBondContact OH-OE1 3.3Å; L1181-Q1185 WeakPolarHBondContact O-CG 3.4Å; L1181-Q1185 PolarHBondContact O-N 2.89Å; F1182-Q1185 PolarHBondContact O-N 3.15Å; Q1185-S1187 VanDerWaalsContact C-N 3.33Å; Q1185-S1187 PolarHBondContact O-N 3.5Å; Q1185-S1188 PolarHBondContact O-N 2.9Å; Q1185-S1188 VanDerWaalsContact O-N 3.16Å; Q1185-S1188 PolarHBondContact O-OG 3.48Å; Q1185-H1189 PolarHBondContact O-CD2 3.21Å; Q1185-H1189 PolarHBondContact O-N 3.19Å |
| 1186 | L | 67.7 | Low | 68 | Low | 69 Ų | 69 | 72.4 Ų | 72.4 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -55.9 | -46.3 | 175.6 | -84.5 | 165.9 | 0 | 0 | 0 | 111.8 | F1182 C1183 S1188 H1189 V1190 | F1182-L1186 HydrophobicContact CD1-CD1 3.61Å; F1182-L1186 HydrophobicContact CD1-CG 4.48Å; F1182-L1186 HydrophobicContact CE1-CD1 3.25Å; F1182-L1186 HydrophobicContact CE1-CG 4.16Å; F1182-L1186 HydrophobicContact CE2-CD1 4.25Å; F1182-L1186 HydrophobicContact CE2-CG 4.3Å; F1182-L1186 HydrophobicContact CG-CD1 4.26Å; F1182-L1186 HydrophobicContact CZ-CD1 3.61Å; F1182-L1186 HydrophobicContact CZ-CD2 4.41Å; F1182-L1186 HydrophobicContact CZ-CG 4.06Å; F1182-L1186 WeakPolarHBondContact O-CB 3.42Å; F1182-L1186 WeakPolarHBondContact O-CG 3.4Å; F1182-L1186 PolarHBondContact O-N 2.98Å; C1183-L1186 PolarHBondContact O-N 2.93Å; L1186-S1188 PolarHBondContact O-N 2.97Å; L1186-H1189 PolarHBondContact O-N 2.88Å; L1186-V1190 WeakPolarHBondContact O-CB 3.32Å; L1186-V1190 WeakPolarHBondContact O-CG2 3.26Å; L1186-V1190 PolarHBondContact O-N 3.45Å |
| 1187 | S | 66.3 | Low | 67.3 | Low | 76 Ų | 76 | 71.9 Ų | 71.9 | 53% | 0.531 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.7 | -34.3 | -179.9 | 71.4 | 0 | 0 | 0 | 0 | 113.1 | C1183 Q1184 Q1185 | C1183-S1187 PolarHBondContact O-N 2.97Å; Q1184-S1187 PolarHBondContact O-N 3.36Å; Q1184-S1187 PolarHBondContact O-OG 3.4Å; Q1185-S1187 VanDerWaalsContact C-N 3.33Å; Q1185-S1187 PolarHBondContact O-N 3.5Å |
| 1188 | S | 64.3 | Low | 67 | Low | 70 Ų | 70 | 66.7 Ų | 66.7 | 49% | 0.49 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.8 | -29 | 177.1 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | Q1184 Q1185 L1186 | Q1184-S1188 PolarHBondContact O-N 2.97Å; Q1185-S1188 PolarHBondContact O-N 2.9Å; Q1185-S1188 VanDerWaalsContact O-N 3.16Å; Q1185-S1188 PolarHBondContact O-OG 3.48Å; L1186-S1188 PolarHBondContact O-N 2.97Å |
| 1189 | H | 61.9 | Low | 66.6 | Low | 121 Ų | 121 | 66.6 Ų | 66.6 | 56% | 0.56 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -94.4 | -28.9 | -177.7 | -78.1 | -67.6 | 0 | 0 | 0 | 114.2 | Q1185 L1186 E1191 S1192 N1193 | Q1185-H1189 PolarHBondContact O-CD2 3.21Å; Q1185-H1189 PolarHBondContact O-N 3.19Å; L1186-H1189 PolarHBondContact O-N 2.88Å; H1189-E1191 PolarHBondContact O-N 3Å; H1189-S1192 PolarHBondContact O-N 3.38Å; H1189-S1192 PolarHBondContact O-OG 3.13Å; H1189-N1193 PolarHBondContact O-N 3.15Å; H1189-N1193 VanDerWaalsContact O-N 3.14Å |
| 1190 | V | 57.5 | Low | 66.1 | Low | 70 Ų | 70 | 67.7 Ų | 67.7 | 42% | 0.424 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.3 | -26.6 | 175.7 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | L1186 G1194 A1197 | L1186-V1190 WeakPolarHBondContact O-CB 3.32Å; L1186-V1190 WeakPolarHBondContact O-CG2 3.26Å; L1186-V1190 PolarHBondContact O-N 3.45Å; V1190-G1194 PolarHBondContact O-N 3.25Å; V1190-A1197 HydrophobicContact CG2-CB 4.43Å |
| 1191 | E | 52.1 | Low | 65.8 | Low | 119 Ų | 119 | 66.1 Ų | 66.1 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.1 | -64.5 | 166.5 | -72.3 | -171.6 | -173.3 | 0 | 0 | 109.7 | R208 H1189 N1193 | R208-E1191 PolarHBondContact NE-O 3.02Å; R208-E1191 PolarHBondContact NH2-O 3.49Å; H1189-E1191 PolarHBondContact O-N 3Å; E1191-N1193 PolarHBondContact O-N 3.35Å |
| 1192 | S | 51.7 | Low | 65.7 | Low | 50 Ų | 50 | 64.2 Ų | 64.2 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | -174.6 | 43 | 0 | 0 | 0 | 0 | 115.8 | H1189 | H1189-S1192 PolarHBondContact O-N 3.38Å; H1189-S1192 PolarHBondContact O-OG 3.13Å |
| 1193 | N | 58.4 | Low | 65.4 | Low | 79 Ų | 79 | 61.7 Ų | 61.7 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | 47.3 | -166.2 | -75 | -16.2 | 0 | 0 | 0 | 114.4 | H1189 E1191 G1195 V1196 | H1189-N1193 PolarHBondContact O-N 3.15Å; H1189-N1193 VanDerWaalsContact O-N 3.14Å; E1191-N1193 PolarHBondContact O-N 3.35Å; N1193-G1195 PolarHBondContact O-N 3.41Å; N1193-V1196 PolarHBondContact O-N 3.06Å |
| 1194 | G | 57.5 | Low | 65.2 | Low | 30 Ų | 30 | 61 Ų | 61 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.4 | -25.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | V1190 M1198 | V1190-G1194 PolarHBondContact O-N 3.25Å; G1194-M1198 WeakPolarHBondContact O-CG 3.39Å |
| 1195 | G | 58.5 | Low | 65.3 | Low | 24 Ų | 24 | 55.6 Ų | 55.6 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.9 | -41.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | N1193 | N1193-G1195 PolarHBondContact O-N 3.41Å |
| 1196 | V | 61 | Low | 65.2 | Low | 82 Ų | 82 | 53.9 Ų | 53.9 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -74.9 | -36.1 | -176.4 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | N1193 M1198 H1199 | N1193-V1196 PolarHBondContact O-N 3.06Å; V1196-M1198 VanDerWaalsContact C-N 3.31Å; V1196-M1198 PolarHBondContact O-N 3.24Å; V1196-H1199 WeakPolarHBondContact O-CB 3.31Å; V1196-H1199 PolarHBondContact O-N 2.89Å |
| 1197 | A | 65.2 | Low | 65.3 | Low | 37 Ų | 37 | 52.1 Ų | 52.1 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | V1190 H1199 I1200 | V1190-A1197 HydrophobicContact CG2-CB 4.43Å; A1197-H1199 PolarHBondContact O-N 3.35Å; A1197-I1200 PolarHBondContact O-N 2.64Å |
| 1198 | M | 69.7 | Low | 65.3 | Low | 50 Ų | 50 | 51 Ų | 51 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -29.3 | 178.2 | -68.6 | -63.4 | -71.7 | 0 | 0 | 112.7 | G1194 V1196 I1200 V1201 V1202 V1227 A1230 L1231 | G1194-M1198 WeakPolarHBondContact O-CG 3.39Å; V1196-M1198 VanDerWaalsContact C-N 3.31Å; V1196-M1198 PolarHBondContact O-N 3.24Å; M1198-I1200 PolarHBondContact O-N 2.74Å; M1198-V1201 PolarHBondContact O-N 3.05Å; M1198-V1202 WeakPolarHBondContact O-CB 3.44Å; M1198-V1202 VanDerWaalsContact O-CG2 3.31Å; M1198-V1202 WeakPolarHBondContact O-CG2 3.33Å; M1198-V1202 PolarHBondContact O-N 3.24Å; M1198-V1227 HydrophobicContact CE-CB 4.42Å; M1198-V1227 HydrophobicContact CE-CG1 3.83Å; M1198-V1227 HydrophobicContact CE-CG2 4.35Å; M1198-A1230 HydrophobicContact CE-CB 4.3Å; M1198-L1231 HydrophobicContact CB-CD2 3.98Å; M1198-L1231 HydrophobicContact CE-CD2 4.33Å; M1198-L1231 HydrophobicContact CE-CG 4.28Å; M1198-L1231 HydrophobicContact CG-CD2 4.38Å |
| 1199 | H | 67.6 | Low | 65.5 | Low | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 179.8 | -165.1 | -58.6 | 0 | 0 | 0 | 112.7 | L721 V1196 A1197 V1202 I1203 T1243 I1246 | L721-H1199 VanDerWaalsContact CD1-CE1 3.41Å; L721-H1199 WeakPolarHBondContact CD1-CE1 3.3Å; L721-H1199 WeakPolarHBondContact CD2-CE1 3.49Å; L721-H1199 WeakPolarHBondContact CD2-NE2 3.36Å; V1196-H1199 WeakPolarHBondContact O-CB 3.31Å; V1196-H1199 PolarHBondContact O-N 2.89Å; A1197-H1199 PolarHBondContact O-N 3.35Å; H1199-V1202 PolarHBondContact O-N 2.83Å; H1199-I1203 WeakPolarHBondContact O-CG1 3.45Å; H1199-I1203 PolarHBondContact O-N 2.69Å; H1199-I1203 VanDerWaalsContact O-N 3.16Å; H1199-T1243 HydrophobicContact CB-CG2 4.43Å; H1199-T1243 PolarHBondContact CD2-OG1 3.32Å; H1199-I1246 WeakPolarHBondContact CE1-CD1 3.45Å; H1199-I1246 VanDerWaalsContact NE2-CD1 3.34Å; H1199-I1246 WeakPolarHBondContact NE2-CD1 3.19Å |
| 1200 | I | 67.6 | Low | 65.5 | Low | 99 Ų | 99 | 48.8 Ų | 48.8 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.9 | -42.1 | 178.5 | -61.1 | 173.9 | 0 | 0 | 0 | 110.4 | F725 A1197 M1198 V1202 I1203 D1204 | F725-I1200 HydrophobicContact CE1-CG1 4.48Å; A1197-I1200 PolarHBondContact O-N 2.64Å; M1198-I1200 PolarHBondContact O-N 2.74Å; I1200-V1202 VanDerWaalsContact C-N 3.28Å; I1200-V1202 PolarHBondContact O-N 3.27Å; I1200-I1203 PolarHBondContact O-N 3.01Å; I1200-D1204 PolarHBondContact O-N 3.46Å; I1200-D1204 VanDerWaalsContact O-N 3.13Å |
| 1201 | V | 74.7 | Confident | 65.5 | Low | 62 Ų | 62 | 51.8 Ų | 51.8 | 38% | 0.376 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | M1198 D1204 L1205 V1227 | M1198-V1201 PolarHBondContact O-N 3.05Å; V1201-D1204 PolarHBondContact O-N 2.93Å; V1201-L1205 HydrophobicContact CG1-CD1 3.63Å; V1201-L1205 HydrophobicContact CG1-CG 4.18Å; V1201-L1205 WeakPolarHBondContact O-CB 3.22Å; V1201-L1205 WeakPolarHBondContact O-CG 3.47Å; V1201-L1205 PolarHBondContact O-N 3.33Å; V1201-V1227 HydrophobicContact CG1-CG2 4.48Å |
| 1202 | V | 73.9 | Confident | 65.6 | Low | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 177.5 | 164.6 | 0 | 0 | 0 | 0 | 112 | M1198 H1199 I1200 D1204 L1205 F1206 V1227 L1231 T1243 I1246 I1247 | M1198-V1202 WeakPolarHBondContact O-CB 3.44Å; M1198-V1202 VanDerWaalsContact O-CG2 3.31Å; M1198-V1202 WeakPolarHBondContact O-CG2 3.33Å; M1198-V1202 PolarHBondContact O-N 3.24Å; H1199-V1202 PolarHBondContact O-N 2.83Å; I1200-V1202 VanDerWaalsContact C-N 3.28Å; I1200-V1202 PolarHBondContact O-N 3.27Å; V1202-D1204 VanDerWaalsContact C-N 3.33Å; V1202-D1204 PolarHBondContact O-N 3.19Å; V1202-L1205 PolarHBondContact O-N 3.15Å; V1202-F1206 HydrophobicContact CB-CD2 4.44Å; V1202-F1206 HydrophobicContact CG1-CD2 4.02Å; V1202-F1206 HydrophobicContact CG2-CD2 4.49Å; V1202-F1206 WeakPolarHBondContact O-CB 3.44Å; V1202-F1206 PolarHBondContact O-N 3.14Å; V1202-V1227 HydrophobicContact CG2-CG1 3.65Å; V1202-L1231 HydrophobicContact CG2-CD1 4.03Å; V1202-T1243 HydrophobicContact CB-CG2 3.8Å; V1202-T1243 HydrophobicContact CG1-CG2 3.98Å; V1202-T1243 HydrophobicContact CG2-CG2 3.58Å; V1202-I1246 HydrophobicContact CG1-CG2 4.38Å; V1202-I1247 HydrophobicContact CG1-CD1 4.01Å; V1202-I1247 HydrophobicContact CG1-CG1 3.48Å; V1202-I1247 VanDerWaalsContact CG1-CG1 3.48Å; V1202-I1247 HydrophobicContact CG2-CD1 3.94Å; V1202-I1247 HydrophobicContact CG2-CG1 4.34Å |
| 1203 | I | 71.2 | Confident | 65.8 | Low | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.087 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -58.5 | -46.6 | 175.8 | -68.3 | 169.1 | 0 | 0 | 0 | 110.4 | V1101 H1199 I1200 V1207 L1208 I1246 | V1101-I1203 HydrophobicContact CG1-CG2 3.72Å; V1101-I1203 HydrophobicContact CG2-CD1 4.35Å; V1101-I1203 HydrophobicContact CG2-CG2 4.02Å; H1199-I1203 WeakPolarHBondContact O-CG1 3.45Å; H1199-I1203 PolarHBondContact O-N 2.69Å; H1199-I1203 VanDerWaalsContact O-N 3.16Å; I1200-I1203 PolarHBondContact O-N 3.01Å; I1203-V1207 HydrophobicContact CG2-CB 4.47Å; I1203-V1207 WeakPolarHBondContact O-CA 3.2Å; I1203-V1207 WeakPolarHBondContact O-CB 3.41Å; I1203-V1207 PolarHBondContact O-N 3.46Å; I1203-L1208 HydrophobicContact CG2-CD1 4.49Å; I1203-L1208 PolarHBondContact O-N 2.76Å; I1203-I1246 HydrophobicContact CG1-CD1 4.44Å |
| 1204 | D | 71.8 | Confident | 65.8 | Low | 51 Ų | 51 | 55.2 Ų | 55.2 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -63.9 | -49.5 | 179.6 | -173.6 | 40.1 | 0 | 0 | 0 | 112.3 | I1200 V1201 V1202 L1208 R1209 | I1200-D1204 PolarHBondContact O-N 3.46Å; I1200-D1204 VanDerWaalsContact O-N 3.13Å; V1201-D1204 PolarHBondContact O-N 2.93Å; V1202-D1204 VanDerWaalsContact C-N 3.33Å; V1202-D1204 PolarHBondContact O-N 3.19Å; D1204-L1208 PolarHBondContact O-N 2.82Å; D1204-R1209 WeakPolarHBondContact O-CG 3.44Å; D1204-R1209 PolarHBondContact O-N 2.66Å; D1204-R1209 IonicContact OD1-NE 2.71Å; D1204-R1209 PolarHBondContact OD1-NE 3.46Å; D1204-R1209 IonicContact OD2-CZ 3.74Å; D1204-R1209 IonicContact OD2-NE 3.37Å; D1204-R1209 PolarHBondContact OD2-NE 3.32Å; D1204-R1209 IonicContact OD2-NH2 3.76Å; D1204-R1209 PolarHBondContact OD2-NH2 2.82Å |
| 1205 | L | 77.9 | Confident | 65.8 | Low | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | I | π-helix | trans | -73.8 | -35.3 | -175.5 | -67.7 | 178.6 | 0 | 0 | 0 | 114.5 | V1201 V1202 L1220 Q1224 V1227 | V1201-L1205 HydrophobicContact CG1-CD1 3.63Å; V1201-L1205 HydrophobicContact CG1-CG 4.18Å; V1201-L1205 WeakPolarHBondContact O-CB 3.22Å; V1201-L1205 WeakPolarHBondContact O-CG 3.47Å; V1201-L1205 PolarHBondContact O-N 3.33Å; V1202-L1205 PolarHBondContact O-N 3.15Å; L1205-L1220 HydrophobicContact CD2-CD1 3.88Å; L1205-Q1224 PolarHBondContact O-NE2 3.47Å; L1205-V1227 HydrophobicContact CD1-CG2 3.95Å |
| 1206 | F | 73.4 | Confident | 66 | Low | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.013 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -100.5 | -26.6 | -175.3 | -72.8 | -96.7 | 0 | 0 | 0 | 113.5 | V1202 N1210 Q1224 V1227 I1228 I1247 E1250 L1251 | V1202-F1206 HydrophobicContact CB-CD2 4.44Å; V1202-F1206 HydrophobicContact CG1-CD2 4.02Å; V1202-F1206 HydrophobicContact CG2-CD2 4.49Å; V1202-F1206 WeakPolarHBondContact O-CB 3.44Å; V1202-F1206 PolarHBondContact O-N 3.14Å; F1206-N1210 PolarHBondContact O-ND2 3.28Å; F1206-Q1224 HydrophobicContact CD1-CG 4.29Å; F1206-Q1224 HydrophobicContact CD2-CG 4.25Å; F1206-Q1224 HydrophobicContact CE1-CB 3.96Å; F1206-Q1224 HydrophobicContact CE1-CG 3.84Å; F1206-Q1224 HydrophobicContact CE2-CB 4.07Å; F1206-Q1224 HydrophobicContact CE2-CG 3.81Å; F1206-Q1224 HydrophobicContact CG-CG 4.48Å; F1206-Q1224 HydrophobicContact CZ-CB 3.5Å; F1206-Q1224 HydrophobicContact CZ-CG 3.59Å; F1206-V1227 HydrophobicContact CE2-CG1 4.39Å; F1206-I1228 HydrophobicContact CE1-CD1 4.2Å; F1206-I1228 HydrophobicContact CZ-CD1 3.89Å; F1206-I1228 HydrophobicContact CZ-CG1 3.94Å; F1206-I1247 HydrophobicContact CD1-CG1 4.47Å; F1206-I1247 HydrophobicContact CD1-CG2 4.21Å; F1206-I1247 HydrophobicContact CD2-CG1 4.19Å; F1206-I1247 HydrophobicContact CE1-CG1 4.42Å; F1206-I1247 HydrophobicContact CE1-CG2 3.75Å; F1206-I1247 HydrophobicContact CE2-CD1 4.2Å; F1206-I1247 HydrophobicContact CE2-CG1 4.11Å; F1206-I1247 HydrophobicContact CG-CG1 4.36Å; F1206-I1247 HydrophobicContact CZ-CD1 4.34Å; F1206-I1247 HydrophobicContact CZ-CG1 4.23Å; F1206-I1247 HydrophobicContact CZ-CG2 4.04Å; F1206-E1250 HydrophobicContact CB-CB 4.47Å; F1206-L1251 HydrophobicContact CE1-CD2 4.34Å; F1206-L1251 HydrophobicContact CE1-CG 4.48Å |
| 1207 | V | 68.5 | Low | 66.2 | Low | 31 Ų | 31 | 61.7 Ų | 61.7 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -102 | -46.9 | -179.1 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | I1203 I1246 E1250 | I1203-V1207 HydrophobicContact CG2-CB 4.47Å; I1203-V1207 WeakPolarHBondContact O-CA 3.2Å; I1203-V1207 WeakPolarHBondContact O-CB 3.41Å; I1203-V1207 PolarHBondContact O-N 3.46Å; V1207-I1246 HydrophobicContact CG2-CG2 4.2Å; V1207-E1250 HydrophobicContact CG2-CG 4.04Å |
| 1208 | L | 66.8 | Low | 66.5 | Low | 54 Ų | 54 | 65.2 Ų | 65.2 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -93.1 | -46.4 | -166.1 | -59.2 | 175.4 | 0 | 0 | 0 | 115.5 | V1101 L1104 I1203 D1204 N1210 | V1101-L1208 HydrophobicContact CG1-CD2 4.27Å; L1104-L1208 HydrophobicContact CB-CD1 3.94Å; L1104-L1208 HydrophobicContact CB-CD2 3.8Å; L1104-L1208 HydrophobicContact CD1-CD1 3.9Å; L1104-L1208 HydrophobicContact CD2-CD1 4.38Å; L1104-L1208 HydrophobicContact CG-CD1 4.29Å; L1104-L1208 WeakPolarHBondContact O-CD2 3.44Å; I1203-L1208 HydrophobicContact CG2-CD1 4.49Å; I1203-L1208 PolarHBondContact O-N 2.76Å; D1204-L1208 PolarHBondContact O-N 2.82Å; L1208-N1210 PolarHBondContact O-N 3.19Å |
| 1209 | R | 69.3 | Low | 66.8 | Low | 122 Ų | 122 | 69 Ų | 69 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -78.5 | 16.1 | -171 | -68.5 | -169.8 | -172.1 | -163.3 | 3.7 | 116.2 | D1204 D1211 C1212 L1220 | D1204-R1209 WeakPolarHBondContact O-CG 3.44Å; D1204-R1209 PolarHBondContact O-N 2.66Å; D1204-R1209 IonicContact OD1-NE 2.71Å; D1204-R1209 PolarHBondContact OD1-NE 3.46Å; D1204-R1209 IonicContact OD2-CZ 3.74Å; D1204-R1209 IonicContact OD2-NE 3.37Å; D1204-R1209 PolarHBondContact OD2-NE 3.32Å; D1204-R1209 IonicContact OD2-NH2 3.76Å; D1204-R1209 PolarHBondContact OD2-NH2 2.82Å; R1209-D1211 PolarHBondContact O-N 3.33Å; R1209-C1212 PolarHBondContact O-SG 3.12Å; R1209-L1220 HydrophobicContact CB-CD1 4.23Å |
| 1210 | N | 61.1 | Low | 67.3 | Low | 21 Ų | 21 | 69.1 Ų | 69.1 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 9.4 | -154.2 | -122.5 | 1.4 | 0 | 0 | 0 | 112.7 | F1206 L1208 L1220 R1254 | F1206-N1210 PolarHBondContact O-ND2 3.28Å; L1208-N1210 PolarHBondContact O-N 3.19Å; N1210-L1220 WeakPolarHBondContact OD1-CD2 3.47Å; N1210-R1254 PolarHBondContact O-NH1 2.86Å |
| 1211 | D | 57.8 | Low | 67.7 | Low | 134 Ų | 134 | 65.9 Ų | 65.9 | 72% | 0.717 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 18.4 | 177.4 | -66.8 | -18.1 | 0 | 0 | 0 | 113.1 | R1209 | R1209-D1211 PolarHBondContact O-N 3.33Š|
| 1212 | C | 54.2 | Low | 68.1 | Low | 80 Ų | 80 | 68.4 Ų | 68.4 | 54% | 0.541 | 37% | 0.371 | S | S | . | . | trans | -84.9 | 160.9 | -175.8 | -65.1 | 0 | 0 | 0 | 0 | 114.4 | R1209 A1216 | R1209-C1212 PolarHBondContact O-SG 3.12Å; C1212-A1216 HydrophobicContact CB-CB 4.13Å | ||
| 1213 | D | 55.9 | Low | 68.5 | Low | 133 Ų | 133 | 72.6 Ų | 72.6 | 71% | 0.711 | 39% | 0.391 | S | S | * | . | trans | -47.8 | 149.9 | 179.8 | -79.3 | -34.9 | 0 | 0 | 0 | 114.3 | V1215 A1216 F1217 | D1213-V1215 PolarHBondContact O-N 3.49Å; D1213-A1216 WeakPolarHBondContact O-CB 3.27Å; D1213-A1216 PolarHBondContact O-N 2.99Å; D1213-F1217 PolarHBondContact O-N 3.23Å | ||
| 1214 | P | 57.5 | Low | 69.1 | Low | 106 Ų | 106 | 72.4 Ų | 72.4 | 69% | 0.688 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.1 | -21.9 | -170.7 | 22.1 | -34.1 | 0 | 0 | 0 | 115.4 | ||
| 1215 | V | 58.9 | Low | 69.7 | Low | 117 Ų | 117 | 74.2 Ų | 74.2 | 71% | 0.709 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -76.6 | -37.8 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | D1213 F1217 | D1213-V1215 PolarHBondContact O-N 3.49Å; V1215-F1217 VanDerWaalsContact C-N 3.26Å; V1215-F1217 PolarHBondContact O-N 3.01Å |
| 1216 | A | 62.6 | Low | 70 | Confident | 42 Ų | 42 | 78.3 Ų | 78.3 | 35% | 0.347 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.5 | -25.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | C1212 D1213 N1218 E1219 L1220 | C1212-A1216 HydrophobicContact CB-CB 4.13Å; D1213-A1216 WeakPolarHBondContact O-CB 3.27Å; D1213-A1216 PolarHBondContact O-N 2.99Å; A1216-N1218 VanDerWaalsContact C-N 3.32Å; A1216-N1218 PolarHBondContact O-N 3.26Å; A1216-E1219 PolarHBondContact O-N 3.28Å; A1216-L1220 WeakPolarHBondContact O-CB 3.39Å; A1216-L1220 PolarHBondContact O-N 3.02Å |
| 1217 | F | 65.7 | Low | 70.5 | Confident | 114 Ų | 114 | 79 Ų | 79 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 178.3 | -169.5 | -95.7 | 0 | 0 | 0 | 113.1 | D1213 V1215 L1220 A1221 | D1213-F1217 PolarHBondContact O-N 3.23Å; V1215-F1217 VanDerWaalsContact C-N 3.26Å; V1215-F1217 PolarHBondContact O-N 3.01Å; F1217-L1220 PolarHBondContact O-N 3.35Å; F1217-A1221 WeakPolarHBondContact O-CB 3.33Å; F1217-A1221 PolarHBondContact O-N 3.18Å |
| 1218 | N | 71.6 | Confident | 71.2 | Confident | 110 Ų | 110 | 78.3 Ų | 78.3 | 59% | 0.588 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.1 | -41.2 | 179.1 | -74.2 | -20.5 | 0 | 0 | 0 | 112.4 | A1216 A1221 I1222 | A1216-N1218 VanDerWaalsContact C-N 3.32Å; A1216-N1218 PolarHBondContact O-N 3.26Å; N1218-A1221 PolarHBondContact O-N 3.49Å; N1218-I1222 WeakPolarHBondContact O-CG1 3.33Å; N1218-I1222 PolarHBondContact O-N 2.83Å |
| 1219 | E | 75.3 | Confident | 72 | Confident | 130 Ų | 130 | 78.9 Ų | 78.9 | 61% | 0.607 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.4 | -40.1 | 175.8 | -70.6 | -175.8 | 169.9 | 0 | 0 | 111.4 | A1216 A1221 I1222 Q1223 | A1216-E1219 PolarHBondContact O-N 3.28Å; E1219-A1221 PolarHBondContact O-N 3.24Å; E1219-I1222 PolarHBondContact O-N 3.06Å; E1219-Q1223 WeakPolarHBondContact O-CG 3.38Å; E1219-Q1223 PolarHBondContact O-N 3.04Å |
| 1220 | L | 78.4 | Confident | 72.5 | Confident | 14 Ų | 14 | 75.1 Ų | 75.1 | 7% | 0.073 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.5 | -175.2 | 68.3 | 0 | 0 | 0 | 111.5 | L1205 R1209 N1210 A1216 F1217 I1222 Q1223 Q1224 | L1205-L1220 HydrophobicContact CD2-CD1 3.88Å; R1209-L1220 HydrophobicContact CB-CD1 4.23Å; N1210-L1220 WeakPolarHBondContact OD1-CD2 3.47Å; A1216-L1220 WeakPolarHBondContact O-CB 3.39Å; A1216-L1220 PolarHBondContact O-N 3.02Å; F1217-L1220 PolarHBondContact O-N 3.35Å; L1220-I1222 VanDerWaalsContact C-N 3.33Å; L1220-I1222 PolarHBondContact O-N 3.2Å; L1220-Q1223 PolarHBondContact O-N 3Å; L1220-Q1224 WeakPolarHBondContact O-CB 3.49Å; L1220-Q1224 VanDerWaalsContact O-CG 3.29Å; L1220-Q1224 WeakPolarHBondContact O-CG 2.94Å; L1220-Q1224 PolarHBondContact O-N 3.39Å |
| 1221 | A | 75.5 | Confident | 73.5 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 25% | 0.248 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1217 N1218 E1219 Q1224 E1225 | F1217-A1221 WeakPolarHBondContact O-CB 3.33Å; F1217-A1221 PolarHBondContact O-N 3.18Å; N1218-A1221 PolarHBondContact O-N 3.49Å; E1219-A1221 PolarHBondContact O-N 3.24Å; A1221-Q1224 PolarHBondContact O-N 3.08Å; A1221-E1225 WeakPolarHBondContact O-CG 3.23Å; A1221-E1225 PolarHBondContact O-N 3.03Å |
| 1222 | I | 82.6 | Confident | 74.5 | Confident | 115 Ų | 115 | 69.6 Ų | 69.6 | 59% | 0.59 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.9 | -45.6 | 175.6 | -66 | 166.1 | 0 | 0 | 0 | 110.7 | N1218 E1219 L1220 Q1224 E1225 V1226 | N1218-I1222 WeakPolarHBondContact O-CG1 3.33Å; N1218-I1222 PolarHBondContact O-N 2.83Å; E1219-I1222 PolarHBondContact O-N 3.06Å; L1220-I1222 VanDerWaalsContact C-N 3.33Å; L1220-I1222 PolarHBondContact O-N 3.2Å; I1222-Q1224 VanDerWaalsContact C-N 3.32Å; I1222-Q1224 PolarHBondContact O-N 3.06Å; I1222-E1225 PolarHBondContact O-N 3.4Å; I1222-V1226 WeakPolarHBondContact O-CG2 3.31Å; I1222-V1226 PolarHBondContact O-N 3.5Å; I1222-V1226 VanDerWaalsContact O-N 3.11Å |
| 1223 | Q | 82.5 | Confident | 75.7 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 42% | 0.416 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 177.9 | -70.6 | 175.3 | 1.9 | 0 | 0 | 111.7 | E1219 L1220 E1225 V1226 V1227 | E1219-Q1223 WeakPolarHBondContact O-CG 3.38Å; E1219-Q1223 PolarHBondContact O-N 3.04Å; L1220-Q1223 PolarHBondContact O-N 3Å; Q1223-E1225 PolarHBondContact O-N 2.93Å; Q1223-V1226 PolarHBondContact O-N 2.86Å; Q1223-V1227 WeakPolarHBondContact O-CG2 3.32Å; Q1223-V1227 PolarHBondContact O-N 3.4Å; Q1223-V1227 VanDerWaalsContact O-N 3.13Å |
| 1224 | Q | 84.7 | Confident | 76.8 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 174.6 | -73.6 | 174.4 | -3.5 | 0 | 0 | 112.2 | L1205 F1206 L1220 A1221 I1222 V1227 I1228 | L1205-Q1224 PolarHBondContact O-NE2 3.47Å; F1206-Q1224 HydrophobicContact CD1-CG 4.29Å; F1206-Q1224 HydrophobicContact CD2-CG 4.25Å; F1206-Q1224 HydrophobicContact CE1-CB 3.96Å; F1206-Q1224 HydrophobicContact CE1-CG 3.84Å; F1206-Q1224 HydrophobicContact CE2-CB 4.07Å; F1206-Q1224 HydrophobicContact CE2-CG 3.81Å; F1206-Q1224 HydrophobicContact CG-CG 4.48Å; F1206-Q1224 HydrophobicContact CZ-CB 3.5Å; F1206-Q1224 HydrophobicContact CZ-CG 3.59Å; L1220-Q1224 WeakPolarHBondContact O-CB 3.49Å; L1220-Q1224 VanDerWaalsContact O-CG 3.29Å; L1220-Q1224 WeakPolarHBondContact O-CG 2.94Å; L1220-Q1224 PolarHBondContact O-N 3.39Å; A1221-Q1224 PolarHBondContact O-N 3.08Å; I1222-Q1224 VanDerWaalsContact C-N 3.32Å; I1222-Q1224 PolarHBondContact O-N 3.06Å; Q1224-V1227 PolarHBondContact O-N 2.77Å; Q1224-I1228 VanDerWaalsContact O-CG1 3.31Å; Q1224-I1228 WeakPolarHBondContact O-CG1 3.07Å; Q1224-I1228 PolarHBondContact O-N 3.17Å |
| 1225 | E | 83.3 | Confident | 77.9 | Confident | 89 Ų | 89 | 64.7 Ų | 64.7 | 42% | 0.416 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.8 | -74.7 | -62.7 | 141.7 | 0 | 0 | 112.7 | A1221 I1222 Q1223 V1227 I1228 S1229 R1258 | A1221-E1225 WeakPolarHBondContact O-CG 3.23Å; A1221-E1225 PolarHBondContact O-N 3.03Å; I1222-E1225 PolarHBondContact O-N 3.4Å; Q1223-E1225 PolarHBondContact O-N 2.93Å; E1225-V1227 VanDerWaalsContact C-N 3.31Å; E1225-V1227 PolarHBondContact O-N 3.33Å; E1225-I1228 PolarHBondContact O-N 3.1Å; E1225-S1229 WeakPolarHBondContact O-CB 2.9Å; E1225-S1229 PolarHBondContact O-N 3.13Å; E1225-R1258 IonicContact OE1-CZ 2.76Å; E1225-R1258 IonicContact OE1-NE 3.99Å; E1225-R1258 PolarHBondContact OE1-NE 3.43Å; E1225-R1258 IonicContact OE1-NH2 3.36Å; E1225-R1258 PolarHBondContact OE1-NH2 3.11Å |
| 1226 | V | 84.7 | Confident | 78.8 | Confident | 98 Ų | 98 | 62.4 Ų | 62.4 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 176.5 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | I1222 Q1223 S1229 A1230 | I1222-V1226 WeakPolarHBondContact O-CG2 3.31Å; I1222-V1226 PolarHBondContact O-N 3.5Å; I1222-V1226 VanDerWaalsContact O-N 3.11Å; Q1223-V1226 PolarHBondContact O-N 2.86Å; V1226-S1229 PolarHBondContact O-N 3.24Å; V1226-A1230 WeakPolarHBondContact O-CB 3.39Å; V1226-A1230 PolarHBondContact O-N 2.99Å |
| 1227 | V | 83 | Confident | 79.4 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 10% | 0.097 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 178.6 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | M1198 V1201 V1202 L1205 F1206 Q1223 Q1224 E1225 S1229 A1230 L1231 | M1198-V1227 HydrophobicContact CE-CB 4.42Å; M1198-V1227 HydrophobicContact CE-CG1 3.83Å; M1198-V1227 HydrophobicContact CE-CG2 4.35Å; V1201-V1227 HydrophobicContact CG1-CG2 4.48Å; V1202-V1227 HydrophobicContact CG2-CG1 3.65Å; L1205-V1227 HydrophobicContact CD1-CG2 3.95Å; F1206-V1227 HydrophobicContact CE2-CG1 4.39Å; Q1223-V1227 WeakPolarHBondContact O-CG2 3.32Å; Q1223-V1227 PolarHBondContact O-N 3.4Å; Q1223-V1227 VanDerWaalsContact O-N 3.13Å; Q1224-V1227 PolarHBondContact O-N 2.77Å; E1225-V1227 VanDerWaalsContact C-N 3.31Å; E1225-V1227 PolarHBondContact O-N 3.33Å; V1227-S1229 PolarHBondContact O-N 3.39Å; V1227-A1230 PolarHBondContact O-N 3.31Å; V1227-L1231 HydrophobicContact CG1-CD1 3.92Å; V1227-L1231 HydrophobicContact CG1-CG 4.49Å; V1227-L1231 WeakPolarHBondContact O-CG 3.39Å; V1227-L1231 PolarHBondContact O-N 3.23Å |
| 1228 | I | 84.1 | Confident | 79.6 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.087 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 175.1 | -68.6 | 166.2 | 0 | 0 | 0 | 109.8 | F1206 Q1224 E1225 A1230 L1231 M1232 I1247 L1251 V1262 | F1206-I1228 HydrophobicContact CE1-CD1 4.2Å; F1206-I1228 HydrophobicContact CZ-CD1 3.89Å; F1206-I1228 HydrophobicContact CZ-CG1 3.94Å; Q1224-I1228 VanDerWaalsContact O-CG1 3.31Å; Q1224-I1228 WeakPolarHBondContact O-CG1 3.07Å; Q1224-I1228 PolarHBondContact O-N 3.17Å; E1225-I1228 PolarHBondContact O-N 3.1Å; I1228-A1230 VanDerWaalsContact C-N 3.29Å; I1228-A1230 PolarHBondContact O-N 2.78Å; I1228-L1231 PolarHBondContact O-N 2.85Å; I1228-M1232 HydrophobicContact CG2-CG 4.25Å; I1228-M1232 WeakPolarHBondContact O-CB 3.5Å; I1228-M1232 WeakPolarHBondContact O-CG 3.23Å; I1228-M1232 PolarHBondContact O-N 3.37Å; I1228-I1247 HydrophobicContact CD1-CG2 4.23Å; I1228-I1247 HydrophobicContact CG1-CD1 4.39Å; I1228-I1247 HydrophobicContact CG1-CG2 4.2Å; I1228-L1251 HydrophobicContact CD1-CD1 4.36Å; I1228-V1262 HydrophobicContact CD1-CG2 4.46Å; I1228-V1262 HydrophobicContact CG2-CG1 4.28Å |
| 1229 | S | 82.9 | Confident | 79.6 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 46% | 0.462 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.9 | -37 | 178.9 | -171.9 | 0 | 0 | 0 | 0 | 113.1 | E1225 V1226 V1227 | E1225-S1229 WeakPolarHBondContact O-CB 2.9Å; E1225-S1229 PolarHBondContact O-N 3.13Å; V1226-S1229 PolarHBondContact O-N 3.24Å; V1227-S1229 PolarHBondContact O-N 3.39Å |
| 1230 | A | 81.1 | Confident | 79.7 | Confident | 43 Ų | 43 | 47.4 Ų | 47.4 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.9 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1198 V1226 V1227 I1228 M1232 K1233 | M1198-A1230 HydrophobicContact CE-CB 4.3Å; V1226-A1230 WeakPolarHBondContact O-CB 3.39Å; V1226-A1230 PolarHBondContact O-N 2.99Å; V1227-A1230 PolarHBondContact O-N 3.31Å; I1228-A1230 VanDerWaalsContact C-N 3.29Å; I1228-A1230 PolarHBondContact O-N 2.78Å; A1230-M1232 VanDerWaalsContact C-N 3.32Å; A1230-M1232 PolarHBondContact O-N 3.11Å; A1230-K1233 PolarHBondContact O-N 2.81Å |
| 1231 | L | 80.4 | Confident | 79.7 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.5 | -34.4 | 178.2 | -68.2 | 168.7 | 0 | 0 | 0 | 112.2 | M1198 V1202 V1227 I1228 K1233 T1234 L1235 T1240 T1243 V1244 I1247 | M1198-L1231 HydrophobicContact CB-CD2 3.98Å; M1198-L1231 HydrophobicContact CE-CD2 4.33Å; M1198-L1231 HydrophobicContact CE-CG 4.28Å; M1198-L1231 HydrophobicContact CG-CD2 4.38Å; V1202-L1231 HydrophobicContact CG2-CD1 4.03Å; V1227-L1231 HydrophobicContact CG1-CD1 3.92Å; V1227-L1231 HydrophobicContact CG1-CG 4.49Å; V1227-L1231 WeakPolarHBondContact O-CG 3.39Å; V1227-L1231 PolarHBondContact O-N 3.23Å; I1228-L1231 PolarHBondContact O-N 2.85Å; L1231-K1233 PolarHBondContact O-N 3.31Å; L1231-T1234 PolarHBondContact O-N 3.09Å; L1231-T1234 PolarHBondContact O-OG1 3.28Å; L1231-T1234 VanDerWaalsContact O-OG1 3.13Å; L1231-L1235 PolarHBondContact O-N 3.15Å; L1231-T1240 HydrophobicContact CB-CG2 4.15Å; L1231-T1240 HydrophobicContact CD2-CG2 3.95Å; L1231-T1243 HydrophobicContact CD1-CG2 3.99Å; L1231-T1243 HydrophobicContact CD2-CG2 4.33Å; L1231-V1244 HydrophobicContact CB-CG2 4.43Å; L1231-I1247 HydrophobicContact CD1-CD1 3.46Å; L1231-I1247 VanDerWaalsContact CD1-CD1 3.46Å |
| 1232 | M | 80.3 | Confident | 79.5 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 17% | 0.172 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -31.6 | 174.9 | -75.4 | -60.3 | -68.4 | 0 | 0 | 112.9 | I1228 A1230 T1234 L1235 D1265 I1266 R1269 | I1228-M1232 HydrophobicContact CG2-CG 4.25Å; I1228-M1232 WeakPolarHBondContact O-CB 3.5Å; I1228-M1232 WeakPolarHBondContact O-CG 3.23Å; I1228-M1232 PolarHBondContact O-N 3.37Å; A1230-M1232 VanDerWaalsContact C-N 3.32Å; A1230-M1232 PolarHBondContact O-N 3.11Å; M1232-T1234 VanDerWaalsContact C-N 3.31Å; M1232-L1235 HydrophobicContact CE-CD1 3.8Å; M1232-L1235 HydrophobicContact SD-CD1 3.56Å; M1232-L1235 VanDerWaalsContact SD-CD1 3.56Å; M1232-L1235 HydrophobicContact SD-CG 4.46Å; M1232-D1265 VanDerWaalsContact CE-C 3.45Å; M1232-D1265 HydrophobicContact CE-CB 4.23Å; M1232-D1265 WeakPolarHBondContact CE-O 3.39Å; M1232-I1266 HydrophobicContact CE-CG1 4.25Å; M1232-I1266 HydrophobicContact SD-CB 4.4Å; M1232-I1266 HydrophobicContact SD-CG1 3.51Å; M1232-I1266 VanDerWaalsContact SD-CG1 3.51Å; M1232-R1269 HydrophobicContact CE-CB 3.79Å; M1232-R1269 HydrophobicContact CE-CG 4.31Å |
| 1233 | K | 79.8 | Confident | 79.2 | Confident | 161 Ų | 161 | 40.2 Ų | 40.2 | 70% | 0.7 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -74.9 | -20 | 176.6 | -66.9 | 178.1 | -177.4 | 177.9 | 0 | 112.9 | A1230 L1231 | A1230-K1233 PolarHBondContact O-N 2.81Å; L1231-K1233 PolarHBondContact O-N 3.31Å |
| 1234 | T | 78.9 | Confident | 79.1 | Confident | 50 Ų | 50 | 36.3 Ų | 36.3 | 31% | 0.307 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 9.9 | -176.3 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | L1231 M1232 Q1236 Y1237 T1240 | L1231-T1234 PolarHBondContact O-N 3.09Å; L1231-T1234 PolarHBondContact O-OG1 3.28Å; L1231-T1234 VanDerWaalsContact O-OG1 3.13Å; M1232-T1234 VanDerWaalsContact C-N 3.31Å; T1234-Q1236 PolarHBondContact O-N 3.1Å; T1234-Y1237 PolarHBondContact O-N 3.25Å; T1234-Y1237 VanDerWaalsContact O-N 3.08Å; T1234-T1240 PolarHBondContact O-OG1 3.38Å; T1234-T1240 WeakPolarHBondContact OG1-CG2 3.4Å; T1234-T1240 PolarHBondContact OG1-OG1 3.18Å; T1234-T1240 VanDerWaalsContact OG1-OG1 3.13Å |
| 1235 | L | 79.8 | Confident | 78.7 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -14 | -178.9 | -86.5 | 172.1 | 0 | 0 | 0 | 115.9 | L1231 M1232 Y1237 W1241 V1244 I1266 R1269 L1273 | L1231-L1235 PolarHBondContact O-N 3.15Å; M1232-L1235 HydrophobicContact CE-CD1 3.8Å; M1232-L1235 HydrophobicContact SD-CD1 3.56Å; M1232-L1235 VanDerWaalsContact SD-CD1 3.56Å; M1232-L1235 HydrophobicContact SD-CG 4.46Å; L1235-Y1237 VanDerWaalsContact C-N 3.26Å; L1235-Y1237 PolarHBondContact O-N 2.99Å; L1235-W1241 PolarHBondContact O-NE1 2.92Å; L1235-V1244 HydrophobicContact CD2-CG2 4.39Å; L1235-I1266 HydrophobicContact CD1-CG2 4.46Å; L1235-R1269 HydrophobicContact CD1-CB 4.1Å; L1235-R1269 HydrophobicContact CD1-CG 3.94Å; L1235-L1273 HydrophobicContact CB-CD1 4.33Å |
| 1236 | Q | 78.1 | Confident | 78.3 | Confident | 69 Ų | 69 | 32.3 Ų | 32.3 | 32% | 0.322 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.3 | 175.8 | 68.2 | -172.4 | 25.5 | 0 | 0 | 114 | T1234 L1273 Y1279 | T1234-Q1236 PolarHBondContact O-N 3.1Å; Q1236-L1273 HydrophobicContact CB-CD1 4.45Å; Q1236-Y1279 PolarHBondContact O-N 3.48Å |
| 1237 | Y | 74.1 | Confident | 78.1 | Confident | 50 Ų | 50 | 27.9 Ų | 27.9 | 20% | 0.196 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -104.6 | 138.3 | -176.6 | -59.2 | -73.5 | 0 | 0 | 0 | 112.3 | T1234 L1235 E1239 T1240 | T1234-Y1237 PolarHBondContact O-N 3.25Å; T1234-Y1237 VanDerWaalsContact O-N 3.08Å; L1235-Y1237 VanDerWaalsContact C-N 3.26Å; L1235-Y1237 PolarHBondContact O-N 2.99Å; Y1237-E1239 VanDerWaalsContact C-N 3.32Å; Y1237-E1239 WeakPolarHBondContact CB-OE2 3.36Å; Y1237-E1239 PolarHBondContact O-N 3.47Å; Y1237-T1240 WeakPolarHBondContact O-CB 3.32Å; Y1237-T1240 PolarHBondContact O-N 3.07Å |
| 1238 | P | 71.6 | Confident | 78 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.2 | -27.4 | -171.6 | 27.2 | -35.4 | 0 | 0 | 0 | 114.7 | W720 T1240 W1241 S1285 | W720-P1238 HydrophobicContact CZ2-CB 4.08Å; W720-P1238 HydrophobicContact CZ2-CG 3.97Å; P1238-T1240 PolarHBondContact O-N 3.48Å; P1238-W1241 HydrophobicContact CB-CD2 4.42Å; P1238-W1241 HydrophobicContact CB-CE3 3.85Å; P1238-W1241 HydrophobicContact CB-CH2 3.99Å; P1238-W1241 HydrophobicContact CB-CZ3 3.63Å; P1238-W1241 PolarHBondContact O-N 3.27Å; P1238-S1285 VanDerWaalsContact CB-CB 3.48Å |
| 1239 | E | 69.6 | Low | 77.6 | Confident | 27 Ų | 27 | 28 Ų | 28 | 13% | 0.126 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.4 | -21.3 | 179.8 | -56.1 | 82.5 | 179.7 | 0 | 0 | 112.2 | W720 Y1237 T1243 R1281 | W720-E1239 HydrophobicContact CD2-CG 4.49Å; W720-E1239 HydrophobicContact CE3-CG 4.16Å; W720-E1239 HydrophobicContact CH2-CG 4.08Å; W720-E1239 HydrophobicContact CZ2-CG 4.42Å; W720-E1239 HydrophobicContact CZ3-CG 3.95Å; Y1237-E1239 VanDerWaalsContact C-N 3.32Å; Y1237-E1239 WeakPolarHBondContact CB-OE2 3.36Å; Y1237-E1239 PolarHBondContact O-N 3.47Å; E1239-T1243 PolarHBondContact O-OG1 3.28Å; E1239-R1281 IonicContact OE1-CZ 3.01Å; E1239-R1281 IonicContact OE1-NE 3.91Å; E1239-R1281 IonicContact OE1-NH1 3.49Å; E1239-R1281 PolarHBondContact OE1-NH1 3.06Å |
| 1240 | T | 78.2 | Confident | 77.2 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -79.3 | -31.2 | 179.7 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | L1231 T1234 Y1237 P1238 T1243 V1244 | L1231-T1240 HydrophobicContact CB-CG2 4.15Å; L1231-T1240 HydrophobicContact CD2-CG2 3.95Å; T1234-T1240 PolarHBondContact O-OG1 3.38Å; T1234-T1240 WeakPolarHBondContact OG1-CG2 3.4Å; T1234-T1240 PolarHBondContact OG1-OG1 3.18Å; T1234-T1240 VanDerWaalsContact OG1-OG1 3.13Å; Y1237-T1240 WeakPolarHBondContact O-CB 3.32Å; Y1237-T1240 PolarHBondContact O-N 3.07Å; P1238-T1240 PolarHBondContact O-N 3.48Å; T1240-T1243 WeakPolarHBondContact O-CB 2.72Å; T1240-T1243 PolarHBondContact O-N 3.49Å; T1240-V1244 HydrophobicContact CG2-CG2 4.1Å; T1240-V1244 WeakPolarHBondContact O-CG2 3.47Å; T1240-V1244 PolarHBondContact O-N 2.78Å |
| 1241 | W | 77.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | -174.1 | -56.1 | -25.5 | 0 | 0 | 0 | 112.9 | L1235 P1238 T1243 V1244 N1245 L1278 S1285 V1288 L1289 L1292 | L1235-W1241 PolarHBondContact O-NE1 2.92Å; P1238-W1241 HydrophobicContact CB-CD2 4.42Å; P1238-W1241 HydrophobicContact CB-CE3 3.85Å; P1238-W1241 HydrophobicContact CB-CH2 3.99Å; P1238-W1241 HydrophobicContact CB-CZ3 3.63Å; P1238-W1241 PolarHBondContact O-N 3.27Å; W1241-T1243 VanDerWaalsContact C-N 3.29Å; W1241-T1243 PolarHBondContact O-N 3.43Å; W1241-V1244 PolarHBondContact O-N 2.88Å; W1241-N1245 VanDerWaalsContact O-CG 3.25Å; W1241-N1245 PolarHBondContact O-N 2.66Å; W1241-N1245 PolarHBondContact O-OD1 3.02Å; W1241-L1278 HydrophobicContact CZ2-CD2 4.09Å; W1241-S1285 VanDerWaalsContact CZ3-O 3.24Å; W1241-S1285 WeakPolarHBondContact CZ3-O 3Å; W1241-V1288 HydrophobicContact CB-CG1 3.61Å; W1241-L1289 HydrophobicContact CD2-CB 4.27Å; W1241-L1289 HydrophobicContact CD2-CD1 3.95Å; W1241-L1289 HydrophobicContact CE3-CB 3.65Å; W1241-L1289 HydrophobicContact CE3-CD1 4.17Å; W1241-L1289 HydrophobicContact CE3-CG 4.41Å; W1241-L1289 HydrophobicContact CG-CD1 4.43Å; W1241-L1289 HydrophobicContact CH2-CB 4.48Å; W1241-L1289 HydrophobicContact CH2-CD2 4.28Å; W1241-L1289 HydrophobicContact CZ2-CD1 4.32Å; W1241-L1289 HydrophobicContact CZ3-CB 3.76Å; W1241-L1289 HydrophobicContact CZ3-CD1 4.44Å; W1241-L1289 HydrophobicContact CZ3-CD2 4.33Å; W1241-L1289 HydrophobicContact CZ3-CG 4.4Å; W1241-L1292 HydrophobicContact CB-CD2 4.14Å; W1241-L1292 HydrophobicContact CG-CD2 4.1Å |
| 1242 | D | 71.9 | Confident | 76.9 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 175.4 | -99.4 | -12.8 | 0 | 0 | 0 | 111.1 | W720 V1244 N1245 I1246 V1288 | W720-D1242 WeakPolarHBondContact CB-OD2 3.13Å; W720-D1242 VanDerWaalsContact CD1-OD2 3.22Å; W720-D1242 PolarHBondContact N-OD2 2.94Å; D1242-V1244 PolarHBondContact O-N 3.12Å; D1242-N1245 WeakPolarHBondContact O-CB 3.42Å; D1242-N1245 PolarHBondContact O-N 3.17Å; D1242-I1246 PolarHBondContact O-N 3.04Å; D1242-V1288 HydrophobicContact CB-CG1 4.08Å; D1242-V1288 WeakPolarHBondContact OD1-CG1 3.47Å; D1242-V1288 VanDerWaalsContact OD1-CG2 3.23Å; D1242-V1288 WeakPolarHBondContact OD1-CG2 3.39Å |
| 1243 | T | 75.7 | Confident | 76.4 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 178.2 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | H1199 V1202 L1231 E1239 T1240 W1241 I1246 I1247 | H1199-T1243 HydrophobicContact CB-CG2 4.43Å; H1199-T1243 PolarHBondContact CD2-OG1 3.32Å; V1202-T1243 HydrophobicContact CB-CG2 3.8Å; V1202-T1243 HydrophobicContact CG1-CG2 3.98Å; V1202-T1243 HydrophobicContact CG2-CG2 3.58Å; L1231-T1243 HydrophobicContact CD1-CG2 3.99Å; L1231-T1243 HydrophobicContact CD2-CG2 4.33Å; E1239-T1243 PolarHBondContact O-OG1 3.28Å; T1240-T1243 WeakPolarHBondContact O-CB 2.72Å; T1240-T1243 PolarHBondContact O-N 3.49Å; W1241-T1243 VanDerWaalsContact C-N 3.29Å; W1241-T1243 PolarHBondContact O-N 3.43Å; T1243-I1246 PolarHBondContact O-N 2.76Å; T1243-I1247 PolarHBondContact O-N 3.4Å |
| 1244 | V | 80.6 | Confident | 76 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.2 | -35.4 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | L1231 L1235 T1240 W1241 D1242 I1246 I1247 L1248 I1266 L1292 | L1231-V1244 HydrophobicContact CB-CG2 4.43Å; L1235-V1244 HydrophobicContact CD2-CG2 4.39Å; T1240-V1244 HydrophobicContact CG2-CG2 4.1Å; T1240-V1244 WeakPolarHBondContact O-CG2 3.47Å; T1240-V1244 PolarHBondContact O-N 2.78Å; W1241-V1244 PolarHBondContact O-N 2.88Å; D1242-V1244 PolarHBondContact O-N 3.12Å; V1244-I1246 VanDerWaalsContact C-N 3.28Å; V1244-I1246 PolarHBondContact O-N 2.94Å; V1244-I1247 WeakPolarHBondContact O-CB 3.46Å; V1244-I1247 PolarHBondContact O-N 3.22Å; V1244-I1247 VanDerWaalsContact O-N 3.16Å; V1244-L1248 HydrophobicContact CG1-CD1 4.09Å; V1244-L1248 HydrophobicContact CG1-CG 4.23Å; V1244-L1248 WeakPolarHBondContact O-CG 3.19Å; V1244-L1248 PolarHBondContact O-N 3.18Å; V1244-I1266 HydrophobicContact CG1-CD1 3.61Å; V1244-L1292 HydrophobicContact CB-CD1 4.14Å; V1244-L1292 HydrophobicContact CG1-CD1 3.57Å |
| 1245 | N | 77.3 | Confident | 76 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.5 | -42.8 | 175.2 | -72.2 | -17.6 | 0 | 0 | 0 | 111.9 | W1241 D1242 L1248 L1249 V1288 L1292 L1295 | W1241-N1245 VanDerWaalsContact O-CG 3.25Å; W1241-N1245 PolarHBondContact O-N 2.66Å; W1241-N1245 PolarHBondContact O-OD1 3.02Å; D1242-N1245 WeakPolarHBondContact O-CB 3.42Å; D1242-N1245 PolarHBondContact O-N 3.17Å; N1245-L1248 PolarHBondContact O-N 3.02Å; N1245-L1249 WeakPolarHBondContact O-CB 3.43Å; N1245-L1249 WeakPolarHBondContact O-CG 3.46Å; N1245-L1249 PolarHBondContact O-N 3.47Å; N1245-V1288 PolarHBondContact ND2-O 3.3Å; N1245-L1292 WeakPolarHBondContact OD1-CA 3.43Å; N1245-L1292 VanDerWaalsContact OD1-CB 3.23Å; N1245-L1292 WeakPolarHBondContact OD1-CB 3.39Å; N1245-L1292 VanDerWaalsContact OD1-CD1 3.27Å; N1245-L1292 WeakPolarHBondContact OD1-CD1 3.41Å; N1245-L1292 PolarHBondContact OD1-N 3.28Å; N1245-L1295 HydrophobicContact CB-CD1 3.74Å |
| 1246 | I | 75.1 | Confident | 76 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.056 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 177.5 | -60.6 | 174.4 | 0 | 0 | 0 | 111.1 | L1097 H1199 V1202 I1203 V1207 D1242 T1243 V1244 L1248 L1249 E1250 | L1097-I1246 HydrophobicContact CD1-CG1 4.32Å; L1097-I1246 HydrophobicContact CD1-CG2 4.12Å; L1097-I1246 HydrophobicContact CD2-CD1 3.9Å; L1097-I1246 HydrophobicContact CD2-CG1 3.92Å; L1097-I1246 HydrophobicContact CD2-CG2 3.87Å; H1199-I1246 WeakPolarHBondContact CE1-CD1 3.45Å; H1199-I1246 VanDerWaalsContact NE2-CD1 3.34Å; H1199-I1246 WeakPolarHBondContact NE2-CD1 3.19Å; V1202-I1246 HydrophobicContact CG1-CG2 4.38Å; I1203-I1246 HydrophobicContact CG1-CD1 4.44Å; V1207-I1246 HydrophobicContact CG2-CG2 4.2Å; D1242-I1246 PolarHBondContact O-N 3.04Å; T1243-I1246 PolarHBondContact O-N 2.76Å; V1244-I1246 VanDerWaalsContact C-N 3.28Å; V1244-I1246 PolarHBondContact O-N 2.94Å; I1246-L1248 VanDerWaalsContact C-N 3.35Å; I1246-L1248 PolarHBondContact O-N 3.17Å; I1246-L1249 PolarHBondContact O-N 3.32Å; I1246-E1250 PolarHBondContact O-N 2.84Å |
| 1247 | I | 80.8 | Confident | 76.1 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 176.9 | -65.2 | 172.7 | 0 | 0 | 0 | 110.3 | V1202 F1206 I1228 L1231 T1243 V1244 L1249 E1250 L1251 | V1202-I1247 HydrophobicContact CG1-CD1 4.01Å; V1202-I1247 HydrophobicContact CG1-CG1 3.48Å; V1202-I1247 VanDerWaalsContact CG1-CG1 3.48Å; V1202-I1247 HydrophobicContact CG2-CD1 3.94Å; V1202-I1247 HydrophobicContact CG2-CG1 4.34Å; F1206-I1247 HydrophobicContact CD1-CG1 4.47Å; F1206-I1247 HydrophobicContact CD1-CG2 4.21Å; F1206-I1247 HydrophobicContact CD2-CG1 4.19Å; F1206-I1247 HydrophobicContact CE1-CG1 4.42Å; F1206-I1247 HydrophobicContact CE1-CG2 3.75Å; F1206-I1247 HydrophobicContact CE2-CD1 4.2Å; F1206-I1247 HydrophobicContact CE2-CG1 4.11Å; F1206-I1247 HydrophobicContact CG-CG1 4.36Å; F1206-I1247 HydrophobicContact CZ-CD1 4.34Å; F1206-I1247 HydrophobicContact CZ-CG1 4.23Å; F1206-I1247 HydrophobicContact CZ-CG2 4.04Å; I1228-I1247 HydrophobicContact CD1-CG2 4.23Å; I1228-I1247 HydrophobicContact CG1-CD1 4.39Å; I1228-I1247 HydrophobicContact CG1-CG2 4.2Å; L1231-I1247 HydrophobicContact CD1-CD1 3.46Å; L1231-I1247 VanDerWaalsContact CD1-CD1 3.46Å; T1243-I1247 PolarHBondContact O-N 3.4Å; V1244-I1247 WeakPolarHBondContact O-CB 3.46Å; V1244-I1247 PolarHBondContact O-N 3.22Å; V1244-I1247 VanDerWaalsContact O-N 3.16Å; I1247-L1249 PolarHBondContact O-N 3.25Å; I1247-E1250 PolarHBondContact O-N 3.18Å; I1247-L1251 HydrophobicContact CG2-CD1 3.66Å; I1247-L1251 HydrophobicContact CG2-CG 4.04Å; I1247-L1251 VanDerWaalsContact O-CB 3.3Å; I1247-L1251 WeakPolarHBondContact O-CB 3.29Å; I1247-L1251 VanDerWaalsContact O-CG 3.26Å; I1247-L1251 WeakPolarHBondContact O-CG 3.5Å; I1247-L1251 PolarHBondContact O-N 2.8Å |
| 1248 | L | 80 | Confident | 76.7 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | -179.5 | -71.7 | 175.7 | 0 | 0 | 0 | 112.2 | V1244 N1245 I1246 R1252 V1262 I1266 L1292 L1295 L1296 | V1244-L1248 HydrophobicContact CG1-CD1 4.09Å; V1244-L1248 HydrophobicContact CG1-CG 4.23Å; V1244-L1248 WeakPolarHBondContact O-CG 3.19Å; V1244-L1248 PolarHBondContact O-N 3.18Å; N1245-L1248 PolarHBondContact O-N 3.02Å; I1246-L1248 VanDerWaalsContact C-N 3.35Å; I1246-L1248 PolarHBondContact O-N 3.17Å; L1248-R1252 VanDerWaalsContact O-CB 3.23Å; L1248-R1252 WeakPolarHBondContact O-CB 3.25Å; L1248-R1252 PolarHBondContact O-N 3.42Å; L1248-V1262 HydrophobicContact CD2-CG1 4.29Å; L1248-I1266 HydrophobicContact CD1-CD1 4.1Å; L1248-I1266 HydrophobicContact CD2-CD1 3.91Å; L1248-I1266 HydrophobicContact CG-CD1 4.24Å; L1248-L1292 HydrophobicContact CD1-CD1 3.69Å; L1248-L1295 HydrophobicContact CD1-CB 4.32Å; L1248-L1296 HydrophobicContact CD1-CD2 3.89Å |
| 1249 | L | 75.5 | Confident | 77.3 | Confident | 35 Ų | 35 | 36 Ų | 36 | 18% | 0.183 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 175.7 | -78 | 168.6 | 0 | 0 | 0 | 111.9 | L1097 N1245 I1246 I1247 R1252 R1253 L1295 | L1097-L1249 HydrophobicContact CD1-CD1 3.94Å; N1245-L1249 WeakPolarHBondContact O-CB 3.43Å; N1245-L1249 WeakPolarHBondContact O-CG 3.46Å; N1245-L1249 PolarHBondContact O-N 3.47Å; I1246-L1249 PolarHBondContact O-N 3.32Å; I1247-L1249 PolarHBondContact O-N 3.25Å; L1249-R1252 PolarHBondContact O-N 3.39Å; L1249-R1253 PolarHBondContact O-N 3.27Å; L1249-R1253 VanDerWaalsContact O-N 3.15Å; L1249-L1295 HydrophobicContact CD2-CD2 3.49Å; L1249-L1295 VanDerWaalsContact CD2-CD2 3.49Å; L1249-L1295 HydrophobicContact CG-CD1 4.35Å; L1249-L1295 HydrophobicContact CG-CD2 3.86Å |
| 1250 | E | 74.7 | Confident | 78.1 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.9 | -41.1 | 179.4 | -75.5 | -61.2 | 153.7 | 0 | 0 | 113 | F1206 V1207 I1246 I1247 R1252 R1253 R1254 | F1206-E1250 HydrophobicContact CB-CB 4.47Å; V1207-E1250 HydrophobicContact CG2-CG 4.04Å; I1246-E1250 PolarHBondContact O-N 2.84Å; I1247-E1250 PolarHBondContact O-N 3.18Å; E1250-R1252 VanDerWaalsContact C-N 3.27Å; E1250-R1252 PolarHBondContact O-N 3.38Å; E1250-R1253 PolarHBondContact O-N 3.48Å; E1250-R1253 IonicContact OE1-CZ 2.71Å; E1250-R1253 IonicContact OE1-NE 3.01Å; E1250-R1253 IonicContact OE1-NH2 3.98Å; E1250-R1253 PolarHBondContact OE1-NH2 3.35Å; E1250-R1253 IonicContact OE2-CZ 2.77Å; E1250-R1253 IonicContact OE2-NE 3.34Å; E1250-R1253 PolarHBondContact OE2-NE 3.03Å; E1250-R1253 VanDerWaalsContact OE2-NE 3.12Å; E1250-R1253 IonicContact OE2-NH2 3.31Å; E1250-R1253 PolarHBondContact OE2-NH2 3.2Å; E1250-R1254 PolarHBondContact O-N 3.38Å; E1250-R1254 VanDerWaalsContact O-N 3.15Å; E1250-R1254 IonicContact OE2-NE 3.49Å |
| 1251 | L | 81.5 | Confident | 78.5 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -41 | 174.7 | -75.8 | -179.7 | 0 | 0 | 0 | 110.7 | F1206 I1228 I1247 R1253 R1254 D1255 R1258 W1259 V1262 | F1206-L1251 HydrophobicContact CE1-CD2 4.34Å; F1206-L1251 HydrophobicContact CE1-CG 4.48Å; I1228-L1251 HydrophobicContact CD1-CD1 4.36Å; I1247-L1251 HydrophobicContact CG2-CD1 3.66Å; I1247-L1251 HydrophobicContact CG2-CG 4.04Å; I1247-L1251 VanDerWaalsContact O-CB 3.3Å; I1247-L1251 WeakPolarHBondContact O-CB 3.29Å; I1247-L1251 VanDerWaalsContact O-CG 3.26Å; I1247-L1251 WeakPolarHBondContact O-CG 3.5Å; I1247-L1251 PolarHBondContact O-N 2.8Å; L1251-R1253 PolarHBondContact O-N 3.28Å; L1251-R1254 PolarHBondContact O-N 3.05Å; L1251-D1255 CarbonylContact O-C 3.06Å; L1251-D1255 WeakPolarHBondContact O-CA 3.28Å; L1251-D1255 PolarHBondContact O-N 3.43Å; L1251-R1258 HydrophobicContact CD1-CG 4.49Å; L1251-R1258 HydrophobicContact CD2-CB 4.48Å; L1251-R1258 HydrophobicContact CD2-CG 4.07Å; L1251-W1259 HydrophobicContact CB-CB 4.09Å; L1251-V1262 HydrophobicContact CD1-CB 4.28Å; L1251-V1262 HydrophobicContact CD1-CG1 4.34Å; L1251-V1262 HydrophobicContact CD1-CG2 4.09Å |
| 1252 | R | 74.9 | Confident | 79 | Confident | 70 Ų | 70 | 46.5 Ų | 46.5 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65 | -39.6 | 177.4 | 177.6 | 156.7 | 165.8 | -86 | -11.1 | 112.8 | H1090 D1091 L1248 L1249 E1250 R1254 W1259 | H1090-R1252 VanDerWaalsContact C-NH1 3.25Å; H1090-R1252 VanDerWaalsContact CA-NH2 3.33Å; H1090-R1252 VanDerWaalsContact CB-NH2 3.26Å; H1090-R1252 PolarHBondContact O-NH1 3.3Å; H1090-R1252 PolarHBondContact O-NH2 2.9Å; D1091-R1252 IonicContact OD1-NH2 3.28Å; L1248-R1252 VanDerWaalsContact O-CB 3.23Å; L1248-R1252 WeakPolarHBondContact O-CB 3.25Å; L1248-R1252 PolarHBondContact O-N 3.42Å; L1249-R1252 PolarHBondContact O-N 3.39Å; E1250-R1252 VanDerWaalsContact C-N 3.27Å; E1250-R1252 PolarHBondContact O-N 3.38Å; R1252-R1254 VanDerWaalsContact C-N 3.31Å; R1252-R1254 PolarHBondContact O-N 3.31Å; R1252-W1259 HydrophobicContact CB-CB 4.39Å; R1252-W1259 HydrophobicContact CB-CD2 4.02Å; R1252-W1259 HydrophobicContact CB-CG 3.89Å; R1252-W1259 HydrophobicContact CG-CD2 4.16Å; R1252-W1259 HydrophobicContact CG-CE3 4.3Å |
| 1253 | R | 69.5 | Low | 79.8 | Confident | 149 Ų | 149 | 46.1 Ų | 46.1 | 56% | 0.562 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64.3 | -35 | 178.7 | -173.2 | 174.6 | 69.8 | 138.9 | -7.5 | 112.6 | L1249 E1250 L1251 | L1249-R1253 PolarHBondContact O-N 3.27Å; L1249-R1253 VanDerWaalsContact O-N 3.15Å; E1250-R1253 PolarHBondContact O-N 3.48Å; E1250-R1253 IonicContact OE1-CZ 2.71Å; E1250-R1253 IonicContact OE1-NE 3.01Å; E1250-R1253 IonicContact OE1-NH2 3.98Å; E1250-R1253 PolarHBondContact OE1-NH2 3.35Å; E1250-R1253 IonicContact OE2-CZ 2.77Å; E1250-R1253 IonicContact OE2-NE 3.34Å; E1250-R1253 PolarHBondContact OE2-NE 3.03Å; E1250-R1253 VanDerWaalsContact OE2-NE 3.12Å; E1250-R1253 IonicContact OE2-NH2 3.31Å; E1250-R1253 PolarHBondContact OE2-NH2 3.2Å; L1251-R1253 PolarHBondContact O-N 3.28Å |
| 1254 | R | 71.9 | Confident | 80.4 | Confident | 110 Ų | 110 | 49.4 Ų | 49.4 | 42% | 0.415 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -111.8 | -36.7 | -167.9 | -63.7 | -176.9 | 176.5 | -127.3 | 0.7 | 115.1 | N1210 E1250 L1251 R1252 | N1210-R1254 PolarHBondContact O-NH1 2.86Å; E1250-R1254 PolarHBondContact O-N 3.38Å; E1250-R1254 VanDerWaalsContact O-N 3.15Å; E1250-R1254 IonicContact OE2-NE 3.49Å; L1251-R1254 PolarHBondContact O-N 3.05Å; R1252-R1254 VanDerWaalsContact C-N 3.31Å; R1252-R1254 PolarHBondContact O-N 3.31Å |
| 1255 | D | 77.5 | Confident | 80.8 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | trans | -143.7 | 85 | -176.4 | -173.2 | -9.2 | 0 | 0 | 0 | 111.6 | L1251 S1257 R1258 W1259 | L1251-D1255 CarbonylContact O-C 3.06Å; L1251-D1255 WeakPolarHBondContact O-CA 3.28Å; L1251-D1255 PolarHBondContact O-N 3.43Å; D1255-S1257 PolarHBondContact O-N 3.49Å; D1255-S1257 PolarHBondContact OD1-N 3Å; D1255-S1257 PolarHBondContact OD1-OG 2.76Å; D1255-R1258 HydrophobicContact CB-CB 4.12Å; D1255-R1258 VanDerWaalsContact CG-CB 3.49Å; D1255-R1258 PolarHBondContact O-N 2.95Å; D1255-R1258 PolarHBondContact OD1-N 3.07Å; D1255-R1258 VanDerWaalsContact OD1-N 3.16Å; D1255-R1258 WeakPolarHBondContact OD2-CB 3.25Å; D1255-W1259 PolarHBondContact O-N 3.37Å | ||
| 1256 | E | 79.3 | Confident | 81.3 | Confident | 99 Ų | 99 | 52.4 Ų | 52.4 | 46% | 0.463 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.3 | -29.6 | -178.7 | -158.3 | -165.5 | 160 | 0 | 0 | 112.7 | W1259 R1260 | E1256-W1259 HydrophobicContact CG-CE3 3.84Å; E1256-W1259 HydrophobicContact CG-CZ3 4.22Å; E1256-R1260 VanDerWaalsContact CD-NH2 3.25Å; E1256-R1260 WeakPolarHBondContact O-CG 2.91Å; E1256-R1260 PolarHBondContact O-N 3.45Å; E1256-R1260 VanDerWaalsContact O-N 3.11Å; E1256-R1260 IonicContact OE1-CZ 2.9Å; E1256-R1260 IonicContact OE1-NE 3.64Å; E1256-R1260 PolarHBondContact OE1-NE 3.09Å; E1256-R1260 IonicContact OE1-NH2 3.97Å; E1256-R1260 PolarHBondContact OE1-NH2 3.2Å; E1256-R1260 IonicContact OE2-NH2 3.46Å |
| 1257 | S | 82 | Confident | 81.9 | Confident | 83 Ų | 83 | 52 Ų | 52 | 58% | 0.58 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -69.6 | -43.1 | -179.4 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | D1255 R1260 K1261 | D1255-S1257 PolarHBondContact O-N 3.49Å; D1255-S1257 PolarHBondContact OD1-N 3Å; D1255-S1257 PolarHBondContact OD1-OG 2.76Å; S1257-R1260 PolarHBondContact O-N 3.27Å; S1257-K1261 PolarHBondContact O-N 2.98Å |
| 1258 | R | 85.6 | Confident | 82.2 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.6 | -39.6 | 175.5 | -169.5 | 172.4 | 180 | -152.4 | 2.7 | 111.3 | E1225 L1251 D1255 R1260 K1261 V1262 | E1225-R1258 IonicContact OE1-CZ 2.76Å; E1225-R1258 IonicContact OE1-NE 3.99Å; E1225-R1258 PolarHBondContact OE1-NE 3.43Å; E1225-R1258 IonicContact OE1-NH2 3.36Å; E1225-R1258 PolarHBondContact OE1-NH2 3.11Å; L1251-R1258 HydrophobicContact CD1-CG 4.49Å; L1251-R1258 HydrophobicContact CD2-CB 4.48Å; L1251-R1258 HydrophobicContact CD2-CG 4.07Å; D1255-R1258 HydrophobicContact CB-CB 4.12Å; D1255-R1258 VanDerWaalsContact CG-CB 3.49Å; D1255-R1258 PolarHBondContact O-N 2.95Å; D1255-R1258 PolarHBondContact OD1-N 3.07Å; D1255-R1258 VanDerWaalsContact OD1-N 3.16Å; D1255-R1258 WeakPolarHBondContact OD2-CB 3.25Å; R1258-R1260 VanDerWaalsContact C-N 3.33Å; R1258-R1260 PolarHBondContact O-N 3.33Å; R1258-K1261 PolarHBondContact O-N 3.08Å; R1258-V1262 HydrophobicContact CG-CG2 4.21Å; R1258-V1262 WeakPolarHBondContact O-CB 3.33Å; R1258-V1262 WeakPolarHBondContact O-CG2 3.4Å; R1258-V1262 PolarHBondContact O-N 2.87Å |
| 1259 | W | 85.4 | Confident | 82.5 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.4 | -45.4 | 172.9 | 169.8 | 64 | 0 | 0 | 0 | 112.3 | H1090 L1251 R1252 D1255 E1256 S1263 L1295 C1297 | H1090-W1259 AromaticContact CE1-CZ2 3.78Å; L1251-W1259 HydrophobicContact CB-CB 4.09Å; R1252-W1259 HydrophobicContact CB-CB 4.39Å; R1252-W1259 HydrophobicContact CB-CD2 4.02Å; R1252-W1259 HydrophobicContact CB-CG 3.89Å; R1252-W1259 HydrophobicContact CG-CD2 4.16Å; R1252-W1259 HydrophobicContact CG-CE3 4.3Å; D1255-W1259 PolarHBondContact O-N 3.37Å; E1256-W1259 HydrophobicContact CG-CE3 3.84Å; E1256-W1259 HydrophobicContact CG-CZ3 4.22Å; W1259-S1263 PolarHBondContact NE1-OG 3.19Å; W1259-S1263 VanDerWaalsContact O-CB 3.23Å; W1259-S1263 WeakPolarHBondContact O-CB 3.38Å; W1259-S1263 PolarHBondContact O-N 3.33Å; W1259-S1263 PolarHBondContact O-OG 3.36Å; W1259-L1295 PolarHBondContact NE1-O 2.94Å; W1259-C1297 HydrophobicContact CD2-CB 4.5Å; W1259-C1297 HydrophobicContact CE3-CB 4.47Å; W1259-C1297 HydrophobicContact CH2-CB 3.79Å; W1259-C1297 HydrophobicContact CZ2-CB 3.77Å; W1259-C1297 HydrophobicContact CZ3-CB 4.15Å |
| 1260 | R | 84.8 | Confident | 83 | Confident | 104 Ų | 104 | 60.3 Ų | 60.3 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63 | -44 | 177.5 | -70.3 | 177.2 | -164.9 | 164.4 | 4.7 | 112.5 | E1256 S1257 R1258 R1264 C1297 | E1256-R1260 VanDerWaalsContact CD-NH2 3.25Å; E1256-R1260 WeakPolarHBondContact O-CG 2.91Å; E1256-R1260 PolarHBondContact O-N 3.45Å; E1256-R1260 VanDerWaalsContact O-N 3.11Å; E1256-R1260 IonicContact OE1-CZ 2.9Å; E1256-R1260 IonicContact OE1-NE 3.64Å; E1256-R1260 PolarHBondContact OE1-NE 3.09Å; E1256-R1260 IonicContact OE1-NH2 3.97Å; E1256-R1260 PolarHBondContact OE1-NH2 3.2Å; E1256-R1260 IonicContact OE2-NH2 3.46Å; S1257-R1260 PolarHBondContact O-N 3.27Å; R1258-R1260 VanDerWaalsContact C-N 3.33Å; R1258-R1260 PolarHBondContact O-N 3.33Å; R1260-R1264 PolarHBondContact O-N 3.13Å; R1260-R1264 VanDerWaalsContact O-N 3.17Å; R1260-C1297 HydrophobicContact CG-CB 4.45Å |
| 1261 | K | 87.6 | Confident | 83.6 | Confident | 140 Ų | 140 | 60.4 Ų | 60.4 | 61% | 0.609 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.1 | -51.9 | 179.4 | -172.9 | -174.9 | 174.8 | -168.3 | 0 | 111.2 | S1257 R1258 S1263 R1264 D1265 | S1257-K1261 PolarHBondContact O-N 2.98Å; R1258-K1261 PolarHBondContact O-N 3.08Å; K1261-S1263 VanDerWaalsContact C-N 3.29Å; K1261-S1263 PolarHBondContact O-N 3.12Å; K1261-R1264 WeakPolarHBondContact O-CB 3.03Å; K1261-R1264 PolarHBondContact O-N 3.49Å; K1261-R1264 VanDerWaalsContact O-N 3.07Å; K1261-D1265 PolarHBondContact O-N 3.37Å |
| 1262 | V | 87.1 | Confident | 83.7 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 179.4 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | I1228 L1248 L1251 R1258 R1264 D1265 I1266 | I1228-V1262 HydrophobicContact CD1-CG2 4.46Å; I1228-V1262 HydrophobicContact CG2-CG1 4.28Å; L1248-V1262 HydrophobicContact CD2-CG1 4.29Å; L1251-V1262 HydrophobicContact CD1-CB 4.28Å; L1251-V1262 HydrophobicContact CD1-CG1 4.34Å; L1251-V1262 HydrophobicContact CD1-CG2 4.09Å; R1258-V1262 HydrophobicContact CG-CG2 4.21Å; R1258-V1262 WeakPolarHBondContact O-CB 3.33Å; R1258-V1262 WeakPolarHBondContact O-CG2 3.4Å; R1258-V1262 PolarHBondContact O-N 2.87Å; V1262-R1264 VanDerWaalsContact C-N 3.29Å; V1262-R1264 PolarHBondContact O-N 3.49Å; V1262-D1265 PolarHBondContact O-N 3.09Å; V1262-I1266 HydrophobicContact CG1-CD1 3.76Å; V1262-I1266 HydrophobicContact CG1-CG1 4.31Å; V1262-I1266 VanDerWaalsContact O-CG1 3.26Å; V1262-I1266 WeakPolarHBondContact O-CG1 3.38Å; V1262-I1266 PolarHBondContact O-N 2.96Å |
| 1263 | S | 89.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -39.7 | 174.2 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | W1259 K1261 F1267 C1297 | W1259-S1263 PolarHBondContact NE1-OG 3.19Å; W1259-S1263 VanDerWaalsContact O-CB 3.23Å; W1259-S1263 WeakPolarHBondContact O-CB 3.38Å; W1259-S1263 PolarHBondContact O-N 3.33Å; W1259-S1263 PolarHBondContact O-OG 3.36Å; K1261-S1263 VanDerWaalsContact C-N 3.29Å; K1261-S1263 PolarHBondContact O-N 3.12Å; S1263-F1267 PolarHBondContact O-N 2.95Å; S1263-C1297 PolarHBondContact OG-N 3.41Å |
| 1264 | R | 88.7 | Confident | 84.6 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 26% | 0.264 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.4 | -46.2 | 176.7 | -179 | 63.5 | -167.1 | -163.2 | 1.7 | 111.4 | R1260 K1261 V1262 I1266 F1267 D1268 A1300 C1302 | R1260-R1264 PolarHBondContact O-N 3.13Å; R1260-R1264 VanDerWaalsContact O-N 3.17Å; K1261-R1264 WeakPolarHBondContact O-CB 3.03Å; K1261-R1264 PolarHBondContact O-N 3.49Å; K1261-R1264 VanDerWaalsContact O-N 3.07Å; V1262-R1264 VanDerWaalsContact C-N 3.29Å; V1262-R1264 PolarHBondContact O-N 3.49Å; R1264-I1266 VanDerWaalsContact C-N 3.29Å; R1264-I1266 PolarHBondContact O-N 2.9Å; R1264-F1267 PolarHBondContact O-N 3.47Å; R1264-F1267 VanDerWaalsContact O-N 3.17Å; R1264-D1268 IonicContact CZ-OD1 2.8Å; R1264-D1268 IonicContact CZ-OD2 3.49Å; R1264-D1268 VanDerWaalsContact NE-CG 3.3Å; R1264-D1268 IonicContact NE-OD1 3.63Å; R1264-D1268 PolarHBondContact NE-OD1 3.09Å; R1264-D1268 IonicContact NE-OD2 3.57Å; R1264-D1268 PolarHBondContact NE-OD2 2.95Å; R1264-D1268 IonicContact NH2-OD1 3.5Å; R1264-D1268 PolarHBondContact NH2-OD1 3.4Å; R1264-D1268 IonicContact NH2-OD2 2.7Å; R1264-D1268 PolarHBondContact O-N 2.77Å; R1264-A1300 HydrophobicContact CB-CB 4.45Å; R1264-A1300 WeakPolarHBondContact CD-O 3.1Å; R1264-A1300 PolarHBondContact NH1-O 2.71Å; R1264-C1302 PolarHBondContact NH1-O 3.48Å |
| 1265 | D | 88.5 | Confident | 84.6 | Confident | 75 Ų | 75 | 52.9 Ų | 52.9 | 40% | 0.401 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 178.5 | -62.9 | -24.4 | 0 | 0 | 0 | 111.3 | M1232 K1261 V1262 R1269 | M1232-D1265 VanDerWaalsContact CE-C 3.45Å; M1232-D1265 HydrophobicContact CE-CB 4.23Å; M1232-D1265 WeakPolarHBondContact CE-O 3.39Å; K1261-D1265 PolarHBondContact O-N 3.37Å; V1262-D1265 PolarHBondContact O-N 3.09Å; D1265-R1269 PolarHBondContact O-N 3.42Å |
| 1266 | I | 87.9 | Confident | 84.3 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 174.6 | -68.3 | 163.1 | 0 | 0 | 0 | 110.8 | M1232 L1235 V1244 L1248 V1262 R1264 R1269 L1270 L1296 | M1232-I1266 HydrophobicContact CE-CG1 4.25Å; M1232-I1266 HydrophobicContact SD-CB 4.4Å; M1232-I1266 HydrophobicContact SD-CG1 3.51Å; M1232-I1266 VanDerWaalsContact SD-CG1 3.51Å; L1235-I1266 HydrophobicContact CD1-CG2 4.46Å; V1244-I1266 HydrophobicContact CG1-CD1 3.61Å; L1248-I1266 HydrophobicContact CD1-CD1 4.1Å; L1248-I1266 HydrophobicContact CD2-CD1 3.91Å; L1248-I1266 HydrophobicContact CG-CD1 4.24Å; V1262-I1266 HydrophobicContact CG1-CD1 3.76Å; V1262-I1266 HydrophobicContact CG1-CG1 4.31Å; V1262-I1266 VanDerWaalsContact O-CG1 3.26Å; V1262-I1266 WeakPolarHBondContact O-CG1 3.38Å; V1262-I1266 PolarHBondContact O-N 2.96Å; R1264-I1266 VanDerWaalsContact C-N 3.29Å; R1264-I1266 PolarHBondContact O-N 2.9Å; I1266-R1269 PolarHBondContact O-N 3.34Å; I1266-L1270 VanDerWaalsContact O-CB 3.24Å; I1266-L1270 WeakPolarHBondContact O-CB 3.34Å; I1266-L1270 PolarHBondContact O-N 3.08Å; I1266-L1296 HydrophobicContact CB-CD2 3.95Å; I1266-L1296 HydrophobicContact CD1-CD2 4.17Å; I1266-L1296 HydrophobicContact CG2-CD1 4.37Å; I1266-L1296 HydrophobicContact CG2-CD2 3.89Å |
| 1267 | F | 87.7 | Confident | 84.1 | Confident | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | -178.6 | 179.9 | -108.6 | 0 | 0 | 0 | 112.4 | S1263 R1264 R1269 L1270 L1271 A1300 F1301 V1307 I1337 | S1263-F1267 PolarHBondContact O-N 2.95Å; R1264-F1267 PolarHBondContact O-N 3.47Å; R1264-F1267 VanDerWaalsContact O-N 3.17Å; F1267-R1269 PolarHBondContact O-N 3.4Å; F1267-L1270 PolarHBondContact O-N 3.39Å; F1267-L1270 VanDerWaalsContact O-N 3.07Å; F1267-L1271 HydrophobicContact CE1-CD2 4.44Å; F1267-L1271 HydrophobicContact CZ-CB 4.48Å; F1267-L1271 HydrophobicContact CZ-CD1 4.42Å; F1267-L1271 HydrophobicContact CZ-CD2 4.31Å; F1267-L1271 PolarHBondContact O-N 2.98Å; F1267-A1300 HydrophobicContact CB-CB 4.39Å; F1267-A1300 VanDerWaalsContact CD1-O 3.24Å; F1267-A1300 WeakPolarHBondContact CD1-O 3.44Å; F1267-F1301 AromaticContact CD2-CD1 3.58Å; F1267-F1301 HydrophobicContact CD2-CD1 3.58Å; F1267-F1301 AromaticContact CD2-CE1 3.81Å; F1267-F1301 HydrophobicContact CD2-CE1 3.81Å; F1267-F1301 HydrophobicContact CE1-CD1 4.49Å; F1267-F1301 AromaticContact CE2-CD1 3.57Å; F1267-F1301 HydrophobicContact CE2-CD1 3.57Å; F1267-F1301 HydrophobicContact CE2-CE1 4.08Å; F1267-F1301 HydrophobicContact CG-CD1 4.07Å; F1267-F1301 HydrophobicContact CG-CE1 4.47Å; F1267-F1301 HydrophobicContact CZ-CD1 4.04Å; F1267-V1307 HydrophobicContact CE2-CG2 4.47Å; F1267-V1307 HydrophobicContact CZ-CG2 3.7Å; F1267-I1337 HydrophobicContact CE2-CD1 4.12Å |
| 1268 | D | 88 | Confident | 83.7 | Confident | 74 Ų | 74 | 48.5 Ų | 48.5 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.2 | -28.4 | 178.8 | -73.2 | -27.3 | 0 | 0 | 0 | 111.8 | R1264 P1272 | R1264-D1268 IonicContact CZ-OD1 2.8Å; R1264-D1268 IonicContact CZ-OD2 3.49Å; R1264-D1268 VanDerWaalsContact NE-CG 3.3Å; R1264-D1268 IonicContact NE-OD1 3.63Å; R1264-D1268 PolarHBondContact NE-OD1 3.09Å; R1264-D1268 IonicContact NE-OD2 3.57Å; R1264-D1268 PolarHBondContact NE-OD2 2.95Å; R1264-D1268 IonicContact NH2-OD1 3.5Å; R1264-D1268 PolarHBondContact NH2-OD1 3.4Å; R1264-D1268 IonicContact NH2-OD2 2.7Å; R1264-D1268 PolarHBondContact O-N 2.77Å; D1268-P1272 VanDerWaalsContact O-CD 3.24Å; D1268-P1272 WeakPolarHBondContact O-CD 3.32Å |
| 1269 | R | 86.2 | Confident | 82.8 | Confident | 139 Ų | 139 | 51.1 Ų | 51.1 | 53% | 0.525 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -84 | -33.2 | 173.8 | -170.6 | 60 | 175.8 | -172.8 | 5.4 | 113.5 | M1232 L1235 D1265 I1266 F1267 L1273 | M1232-R1269 HydrophobicContact CE-CB 3.79Å; M1232-R1269 HydrophobicContact CE-CG 4.31Å; L1235-R1269 HydrophobicContact CD1-CB 4.1Å; L1235-R1269 HydrophobicContact CD1-CG 3.94Å; D1265-R1269 PolarHBondContact O-N 3.42Å; I1266-R1269 PolarHBondContact O-N 3.34Å; F1267-R1269 PolarHBondContact O-N 3.4Å; R1269-L1273 WeakPolarHBondContact O-CG 3.48Å |
| 1270 | L | 86.2 | Confident | 81.9 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.6 | -33.9 | -176.5 | -172.1 | 146.4 | 0 | 0 | 0 | 111.8 | I1266 F1267 L1273 L1274 L1289 L1292 | I1266-L1270 VanDerWaalsContact O-CB 3.24Å; I1266-L1270 WeakPolarHBondContact O-CB 3.34Å; I1266-L1270 PolarHBondContact O-N 3.08Å; F1267-L1270 PolarHBondContact O-N 3.39Å; F1267-L1270 VanDerWaalsContact O-N 3.07Å; L1270-L1273 WeakPolarHBondContact O-CA 3.46Å; L1270-L1273 WeakPolarHBondContact O-CB 3.4Å; L1270-L1273 PolarHBondContact O-N 3.42Å; L1270-L1274 HydrophobicContact CD2-CD1 3.38Å; L1270-L1274 HydrophobicContact CD2-CD2 4.16Å; L1270-L1274 HydrophobicContact CD2-CG 3.65Å; L1270-L1274 PolarHBondContact O-N 2.72Å; L1270-L1274 VanDerWaalsContact O-N 3.08Å; L1270-L1289 HydrophobicContact CD1-CD1 4.13Å; L1270-L1292 HydrophobicContact CD1-CD2 4.22Å |
| 1271 | L | 85.7 | Confident | 80.7 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -60 | -47.2 | -177.4 | -176.8 | 66 | 0 | 0 | 0 | 113.7 | F1267 L1273 L1274 D1306 V1307 T1310 L1334 | F1267-L1271 HydrophobicContact CE1-CD2 4.44Å; F1267-L1271 HydrophobicContact CZ-CB 4.48Å; F1267-L1271 HydrophobicContact CZ-CD1 4.42Å; F1267-L1271 HydrophobicContact CZ-CD2 4.31Å; F1267-L1271 PolarHBondContact O-N 2.98Å; L1271-L1273 PolarHBondContact O-N 3.48Å; L1271-L1274 WeakPolarHBondContact O-CB 3.43Å; L1271-L1274 PolarHBondContact O-N 3.18Å; L1271-L1274 VanDerWaalsContact O-N 3.14Å; L1271-D1306 HydrophobicContact CD2-CB 3.58Å; L1271-V1307 HydrophobicContact CD1-CG2 4.29Å; L1271-T1310 HydrophobicContact CD1-CG2 4.5Å; L1271-L1334 HydrophobicContact CD1-CD2 3.96Å |
| 1272 | P | 84.4 | Confident | 79.6 | Confident | 75 Ų | 75 | 43.7 Ų | 43.7 | 49% | 0.487 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -63.9 | -24.7 | 173.3 | -22.3 | 33.6 | 0 | 0 | 0 | 114.1 | D1268 | D1268-P1272 VanDerWaalsContact O-CD 3.24Å; D1268-P1272 WeakPolarHBondContact O-CD 3.32Å |
| 1273 | L | 83.1 | Confident | 78.6 | Confident | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.12 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -77 | -24.8 | 177.1 | -63.2 | 175.4 | 0 | 0 | 0 | 112.1 | L1235 Q1236 R1269 L1270 L1271 D1275 L1277 L1278 | L1235-L1273 HydrophobicContact CB-CD1 4.33Å; Q1236-L1273 HydrophobicContact CB-CD1 4.45Å; R1269-L1273 WeakPolarHBondContact O-CG 3.48Å; L1270-L1273 WeakPolarHBondContact O-CA 3.46Å; L1270-L1273 WeakPolarHBondContact O-CB 3.4Å; L1270-L1273 PolarHBondContact O-N 3.42Å; L1271-L1273 PolarHBondContact O-N 3.48Å; L1273-D1275 PolarHBondContact O-N 3.2Å; L1273-D1275 VanDerWaalsContact O-N 3.15Å; L1273-L1277 HydrophobicContact CD2-CB 4.44Å; L1273-L1277 PolarHBondContact O-N 3.16Å; L1273-L1278 HydrophobicContact CB-CD2 3.74Å; L1273-L1278 HydrophobicContact CB-CG 4.26Å; L1273-L1278 HydrophobicContact CD1-CD2 4.36Å; L1273-L1278 PolarHBondContact O-N 3.19Å |
| 1274 | L | 79.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -71 | 5.2 | 173.6 | -69.1 | 172.8 | 0 | 0 | 0 | 113.5 | L1270 L1271 G1276 L1278 F1314 S1330 C1333 L1334 | L1270-L1274 HydrophobicContact CD2-CD1 3.38Å; L1270-L1274 HydrophobicContact CD2-CD2 4.16Å; L1270-L1274 HydrophobicContact CD2-CG 3.65Å; L1270-L1274 PolarHBondContact O-N 2.72Å; L1270-L1274 VanDerWaalsContact O-N 3.08Å; L1271-L1274 WeakPolarHBondContact O-CB 3.43Å; L1271-L1274 PolarHBondContact O-N 3.18Å; L1271-L1274 VanDerWaalsContact O-N 3.14Å; L1274-G1276 PolarHBondContact O-N 3.22Å; L1274-G1276 VanDerWaalsContact O-N 3.1Å; L1274-L1278 HydrophobicContact CD2-CD1 3.51Å; L1274-L1278 HydrophobicContact CG-CD1 4.4Å; L1274-F1314 WeakPolarHBondContact O-CZ 3.44Å; L1274-S1330 WeakPolarHBondContact O-CB 3.14Å; L1274-S1330 PolarHBondContact O-OG 3.27Å; L1274-S1330 VanDerWaalsContact O-OG 3.12Å; L1274-C1333 HydrophobicContact CD2-CB 3.91Å; L1274-L1334 HydrophobicContact CD1-CD2 3.74Å; L1274-L1334 HydrophobicContact CD1-CG 4.2Å |
| 1275 | D | 73.3 | Confident | 76.7 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 43% | 0.428 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -76.3 | 18 | 167.6 | -80.5 | -13.5 | 0 | 0 | 0 | 113.4 | L1273 | L1273-D1275 PolarHBondContact O-N 3.2Å; L1273-D1275 VanDerWaalsContact O-N 3.15Å |
| 1276 | G | 69.7 | Low | 76.1 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 25% | 0.247 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 17.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1274 | L1274-G1276 PolarHBondContact O-N 3.22Å; L1274-G1276 VanDerWaalsContact O-N 3.1Å |
| 1277 | L | 75.1 | Confident | 75.3 | Confident | 120 Ų | 120 | 38.9 Ų | 38.9 | 63% | 0.628 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -3 | -178.9 | -62.2 | 174.3 | 0 | 0 | 0 | 113.6 | L1273 | L1273-L1277 HydrophobicContact CD2-CB 4.44Å; L1273-L1277 PolarHBondContact O-N 3.16Å |
| 1278 | L | 75.2 | Confident | 74.6 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | trans | -73 | 134.1 | 176.5 | -66.9 | 177.2 | 0 | 0 | 0 | 111.9 | W1241 L1273 L1274 L1289 | W1241-L1278 HydrophobicContact CZ2-CD2 4.09Å; L1273-L1278 HydrophobicContact CB-CD2 3.74Å; L1273-L1278 HydrophobicContact CB-CG 4.26Å; L1273-L1278 HydrophobicContact CD1-CD2 4.36Å; L1273-L1278 PolarHBondContact O-N 3.19Å; L1274-L1278 HydrophobicContact CD2-CD1 3.51Å; L1274-L1278 HydrophobicContact CG-CD1 4.4Å; L1278-L1289 HydrophobicContact CD1-CD2 3.78Å | ||
| 1279 | Y | 66.3 | Low | 74.4 | Confident | 91 Ų | 91 | 35.2 Ų | 35.2 | 36% | 0.357 | 19% | 0.185 | S | C | . | . | trans | -87.9 | 119.8 | 177.4 | -160 | -105.4 | 0 | 0 | 0 | 111.3 | N203 Q1236 R1281 | N203-Y1279 PolarHBondContact O-OH 2.85Å; Q1236-Y1279 PolarHBondContact O-N 3.48Å; Y1279-R1281 HydrophobicContact CD1-CG 3.53Å; Y1279-R1281 VanDerWaalsContact CD1-NE 3.29Å; Y1279-R1281 HydrophobicContact CE1-CG 3.26Å | ||
| 1280 | V | 66.5 | Low | 74.2 | Confident | 18 Ų | 18 | 29.2 Ų | 29.2 | 11% | 0.109 | 16% | 0.162 | C | C | . | . | trans | -120.4 | 111.5 | -177.4 | -167.3 | 0 | 0 | 0 | 0 | 109.2 | S1285 V1286 L1329 L1406 | V1280-S1285 WeakPolarHBondContact CG1-OG 3.47Å; V1280-V1286 HydrophobicContact CG1-CG2 3.66Å; V1280-L1329 HydrophobicContact CB-CD2 4.45Å; V1280-L1329 HydrophobicContact CG1-CD2 4.37Å; V1280-L1329 HydrophobicContact CG2-CD2 3.23Å; V1280-L1406 HydrophobicContact CB-CD2 4.33Å; V1280-L1406 HydrophobicContact CG1-CD1 4.14Å; V1280-L1406 HydrophobicContact CG1-CD2 3.73Å | ||
| 1281 | R | 59.1 | Low | 73.7 | Confident | 37 Ų | 37 | 30.9 Ų | 30.9 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | trans | -94 | -34.9 | -175.7 | -70.9 | 164.6 | 169.8 | -140 | -30.2 | 112.6 | N203 A204 I205 D206 E1239 Y1279 S1285 | N203-R1281 PolarHBondContact O-NH2 3.46Å; A204-R1281 VanDerWaalsContact C-CZ 3.43Å; A204-R1281 HydrophobicContact CB-CG 4.32Å; A204-R1281 WeakPolarHBondContact O-CD 2.75Å; A204-R1281 WeakPolarHBondContact O-CG 3.29Å; A204-R1281 PolarHBondContact O-NE 2.9Å; A204-R1281 PolarHBondContact O-NH1 2.96Å; I205-R1281 PolarHBondContact O-NH1 3.22Å; D206-R1281 VanDerWaalsContact C-NH2 3.28Å; D206-R1281 PolarHBondContact O-NH2 2.74Å; D206-R1281 VanDerWaalsContact O-NH2 3.1Å; E1239-R1281 IonicContact OE1-CZ 3.01Å; E1239-R1281 IonicContact OE1-NE 3.91Å; E1239-R1281 IonicContact OE1-NH1 3.49Å; E1239-R1281 PolarHBondContact OE1-NH1 3.06Å; Y1279-R1281 HydrophobicContact CD1-CG 3.53Å; Y1279-R1281 VanDerWaalsContact CD1-NE 3.29Å; Y1279-R1281 HydrophobicContact CE1-CG 3.26Å; R1281-S1285 PolarHBondContact N-OG 3.42Å | ||
| 1282 | A | 64.2 | Low | 73.5 | Confident | 46 Ų | 46 | 30 Ų | 30 | 38% | 0.38 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -154.8 | 161.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1284 S1285 | A1282-L1284 PolarHBondContact O-N 3.19Å; A1282-L1284 VanDerWaalsContact O-N 3.09Å; A1282-S1285 PolarHBondContact N-OG 2.96Å; A1282-S1285 PolarHBondContact O-N 2.77Å; A1282-S1285 PolarHBondContact O-OG 2.57Å |
| 1283 | Q | 66.9 | Low | 73.4 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.065 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.6 | -31.1 | 174.6 | -176.2 | 59.9 | 20.2 | 0 | 0 | 112.6 | R715 S1285 V1286 T1287 L1406 S1409 D1413 | R715-Q1283 HydrophobicContact CB-CB 3.97Å; R715-Q1283 HydrophobicContact CB-CG 3.72Å; Q1283-S1285 VanDerWaalsContact C-N 3.31Å; Q1283-S1285 PolarHBondContact O-N 3.28Å; Q1283-V1286 WeakPolarHBondContact O-CB 3.43Å; Q1283-V1286 PolarHBondContact O-N 2.9Å; Q1283-T1287 PolarHBondContact O-N 3.32Å; Q1283-L1406 HydrophobicContact CB-CD1 4.44Å; Q1283-S1409 VanDerWaalsContact CD-CB 3.45Å; Q1283-S1409 PolarHBondContact NE2-OG 3.39Å; Q1283-S1409 VanDerWaalsContact OE1-CB 3.25Å; Q1283-S1409 PolarHBondContact OE1-OG 3.37Å; Q1283-D1413 PolarHBondContact NE2-OD2 3.04Å |
| 1284 | L | 66.7 | Low | 73.2 | Confident | 26 Ų | 26 | 25.3 Ų | 25.3 | 14% | 0.136 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.7 | -44.2 | 175.4 | 174.5 | 59.3 | 0 | 0 | 0 | 112.5 | T718 W720 A1282 V1286 T1287 V1288 | T718-L1284 VanDerWaalsContact C-CD1 3.46Å; T718-L1284 WeakPolarHBondContact O-CD1 3.45Å; T718-L1284 WeakPolarHBondContact O-CD2 3.13Å; T718-L1284 WeakPolarHBondContact O-CG 3.22Å; W720-L1284 HydrophobicContact CD2-CD2 4.45Å; W720-L1284 HydrophobicContact CG-CD2 4.23Å; A1282-L1284 PolarHBondContact O-N 3.19Å; A1282-L1284 VanDerWaalsContact O-N 3.09Å; L1284-V1286 VanDerWaalsContact C-N 3.26Å; L1284-V1286 PolarHBondContact O-N 3.45Å; L1284-T1287 PolarHBondContact O-N 3.22Å; L1284-T1287 PolarHBondContact O-OG1 2.81Å; L1284-V1288 HydrophobicContact CD1-CG2 4.1Å; L1284-V1288 HydrophobicContact CG-CG2 4.41Å; L1284-V1288 WeakPolarHBondContact O-CG2 2.97Å; L1284-V1288 PolarHBondContact O-N 3.22Å |
| 1285 | S | 71.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.5 | -37.7 | -178.6 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | P1238 W1241 V1280 R1281 A1282 Q1283 T1287 V1288 L1289 | P1238-S1285 VanDerWaalsContact CB-CB 3.48Å; W1241-S1285 VanDerWaalsContact CZ3-O 3.24Å; W1241-S1285 WeakPolarHBondContact CZ3-O 3Å; V1280-S1285 WeakPolarHBondContact CG1-OG 3.47Å; R1281-S1285 PolarHBondContact N-OG 3.42Å; A1282-S1285 PolarHBondContact N-OG 2.96Å; A1282-S1285 PolarHBondContact O-N 2.77Å; A1282-S1285 PolarHBondContact O-OG 2.57Å; Q1283-S1285 VanDerWaalsContact C-N 3.31Å; Q1283-S1285 PolarHBondContact O-N 3.28Å; S1285-T1287 VanDerWaalsContact C-N 3.29Å; S1285-T1287 PolarHBondContact O-N 2.83Å; S1285-V1288 PolarHBondContact O-N 2.78Å; S1285-L1289 WeakPolarHBondContact O-CB 3.39Å; S1285-L1289 PolarHBondContact O-N 3.41Å |
| 1286 | V | 75.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.1 | -44.3 | 173.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | V1280 Q1283 L1284 L1289 F1290 L1329 L1406 L1410 | V1280-V1286 HydrophobicContact CG1-CG2 3.66Å; Q1283-V1286 WeakPolarHBondContact O-CB 3.43Å; Q1283-V1286 PolarHBondContact O-N 2.9Å; L1284-V1286 VanDerWaalsContact C-N 3.26Å; L1284-V1286 PolarHBondContact O-N 3.45Å; V1286-L1289 WeakPolarHBondContact O-CB 3.44Å; V1286-L1289 PolarHBondContact O-N 2.74Å; V1286-F1290 HydrophobicContact CG1-CD1 4.45Å; V1286-F1290 HydrophobicContact CG1-CD2 4.04Å; V1286-F1290 HydrophobicContact CG1-CE1 3.91Å; V1286-F1290 HydrophobicContact CG1-CE2 3.45Å; V1286-F1290 VanDerWaalsContact CG1-CE2 3.45Å; V1286-F1290 HydrophobicContact CG1-CZ 3.36Å; V1286-F1290 WeakPolarHBondContact O-CG 3.28Å; V1286-F1290 PolarHBondContact O-N 3.44Å; V1286-L1329 HydrophobicContact CB-CD1 4.24Å; V1286-L1329 HydrophobicContact CG1-CD1 3.67Å; V1286-L1329 HydrophobicContact CG2-CD1 4Å; V1286-L1329 HydrophobicContact CG2-CD2 4.32Å; V1286-L1406 HydrophobicContact CG2-CD1 3.7Å; V1286-L1410 HydrophobicContact CB-CD2 4.5Å; V1286-L1410 HydrophobicContact CG1-CD2 3.7Å; V1286-L1410 HydrophobicContact CG2-CD2 4.02Å |
| 1287 | T | 71.9 | Confident | 74.3 | Confident | 13 Ų | 13 | 21.3 Ų | 21.3 | 8% | 0.08 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -74.6 | -33.1 | -172.9 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | S716 Q1283 L1284 S1285 F1290 Q1291 | S716-T1287 PolarHBondContact O-OG1 3.47Å; Q1283-T1287 PolarHBondContact O-N 3.32Å; L1284-T1287 PolarHBondContact O-N 3.22Å; L1284-T1287 PolarHBondContact O-OG1 2.81Å; S1285-T1287 VanDerWaalsContact C-N 3.29Å; S1285-T1287 PolarHBondContact O-N 2.83Å; T1287-F1290 PolarHBondContact O-N 2.94Å; T1287-Q1291 WeakPolarHBondContact O-CG 3.44Å; T1287-Q1291 PolarHBondContact O-N 2.92Å |
| 1288 | V | 73.2 | Confident | 74.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.2 | -39.1 | 169.7 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | W1241 D1242 N1245 L1284 S1285 Q1291 L1292 | W1241-V1288 HydrophobicContact CB-CG1 3.61Å; D1242-V1288 HydrophobicContact CB-CG1 4.08Å; D1242-V1288 WeakPolarHBondContact OD1-CG1 3.47Å; D1242-V1288 VanDerWaalsContact OD1-CG2 3.23Å; D1242-V1288 WeakPolarHBondContact OD1-CG2 3.39Å; N1245-V1288 PolarHBondContact ND2-O 3.3Å; L1284-V1288 HydrophobicContact CD1-CG2 4.1Å; L1284-V1288 HydrophobicContact CG-CG2 4.41Å; L1284-V1288 WeakPolarHBondContact O-CG2 2.97Å; L1284-V1288 PolarHBondContact O-N 3.22Å; S1285-V1288 PolarHBondContact O-N 2.78Å; V1288-Q1291 WeakPolarHBondContact O-CB 3.42Å; V1288-Q1291 PolarHBondContact O-N 3.32Å; V1288-L1292 PolarHBondContact O-N 3.01Å |
| 1289 | L | 82.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 174.5 | -175.9 | 63.2 | 0 | 0 | 0 | 111.8 | W1241 L1270 L1278 S1285 V1286 Q1291 L1292 I1293 L1329 | W1241-L1289 HydrophobicContact CD2-CB 4.27Å; W1241-L1289 HydrophobicContact CD2-CD1 3.95Å; W1241-L1289 HydrophobicContact CE3-CB 3.65Å; W1241-L1289 HydrophobicContact CE3-CD1 4.17Å; W1241-L1289 HydrophobicContact CE3-CG 4.41Å; W1241-L1289 HydrophobicContact CG-CD1 4.43Å; W1241-L1289 HydrophobicContact CH2-CB 4.48Å; W1241-L1289 HydrophobicContact CH2-CD2 4.28Å; W1241-L1289 HydrophobicContact CZ2-CD1 4.32Å; W1241-L1289 HydrophobicContact CZ3-CB 3.76Å; W1241-L1289 HydrophobicContact CZ3-CD1 4.44Å; W1241-L1289 HydrophobicContact CZ3-CD2 4.33Å; W1241-L1289 HydrophobicContact CZ3-CG 4.4Å; L1270-L1289 HydrophobicContact CD1-CD1 4.13Å; L1278-L1289 HydrophobicContact CD1-CD2 3.78Å; S1285-L1289 WeakPolarHBondContact O-CB 3.39Å; S1285-L1289 PolarHBondContact O-N 3.41Å; V1286-L1289 WeakPolarHBondContact O-CB 3.44Å; V1286-L1289 PolarHBondContact O-N 2.74Å; L1289-Q1291 VanDerWaalsContact C-N 3.32Å; L1289-Q1291 PolarHBondContact O-N 3.01Å; L1289-L1292 HydrophobicContact CD1-CD2 4.27Å; L1289-L1292 WeakPolarHBondContact O-CB 3.41Å; L1289-L1292 PolarHBondContact O-N 3.2Å; L1289-I1293 HydrophobicContact CG-CD1 4.24Å; L1289-I1293 WeakPolarHBondContact O-CG1 3.41Å; L1289-I1293 PolarHBondContact O-N 3.15Å; L1289-L1329 HydrophobicContact CD2-CD1 4.32Å; L1289-L1329 HydrophobicContact CD2-CD2 3.8Å; L1289-L1329 HydrophobicContact CD2-CG 4.21Å |
| 1290 | F | 81.8 | Confident | 75.5 | Confident | 13 Ų | 13 | 22.2 Ų | 22.2 | 6% | 0.057 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 173.1 | -66.5 | -15.4 | 0 | 0 | 0 | 111.1 | V1286 T1287 L1292 I1293 D1294 L1329 V1332 D1413 | V1286-F1290 HydrophobicContact CG1-CD1 4.45Å; V1286-F1290 HydrophobicContact CG1-CD2 4.04Å; V1286-F1290 HydrophobicContact CG1-CE1 3.91Å; V1286-F1290 HydrophobicContact CG1-CE2 3.45Å; V1286-F1290 VanDerWaalsContact CG1-CE2 3.45Å; V1286-F1290 HydrophobicContact CG1-CZ 3.36Å; V1286-F1290 WeakPolarHBondContact O-CG 3.28Å; V1286-F1290 PolarHBondContact O-N 3.44Å; T1287-F1290 PolarHBondContact O-N 2.94Å; F1290-L1292 VanDerWaalsContact C-N 3.31Å; F1290-L1292 PolarHBondContact O-N 3.43Å; F1290-I1293 PolarHBondContact O-N 2.81Å; F1290-D1294 VanDerWaalsContact O-CB 3.27Å; F1290-D1294 WeakPolarHBondContact O-CB 3.41Å; F1290-D1294 PolarHBondContact O-N 2.99Å; F1290-D1294 VanDerWaalsContact O-OD2 3.1Å; F1290-L1329 HydrophobicContact CE1-CD1 3.85Å; F1290-L1329 HydrophobicContact CZ-CD1 4.17Å; F1290-V1332 HydrophobicContact CE1-CG1 4.03Å; F1290-V1332 HydrophobicContact CZ-CB 4.45Å; F1290-V1332 HydrophobicContact CZ-CG1 3.57Å; F1290-D1413 HydrophobicContact CE2-CB 4.37Å |
| 1291 | Q | 76 | Confident | 76.2 | Confident | 39 Ų | 39 | 21.4 Ų | 21.4 | 18% | 0.182 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.5 | -42.7 | 172.2 | -73.4 | 170 | 16.6 | 0 | 0 | 112.4 | R1089 T1287 V1288 L1289 D1294 L1295 | R1089-Q1291 VanDerWaalsContact CZ-CG 3.49Å; R1089-Q1291 VanDerWaalsContact NH1-CG 3.25Å; T1287-Q1291 WeakPolarHBondContact O-CG 3.44Å; T1287-Q1291 PolarHBondContact O-N 2.92Å; V1288-Q1291 WeakPolarHBondContact O-CB 3.42Å; V1288-Q1291 PolarHBondContact O-N 3.32Å; L1289-Q1291 VanDerWaalsContact C-N 3.32Å; L1289-Q1291 PolarHBondContact O-N 3.01Å; Q1291-D1294 PolarHBondContact O-N 3.25Å; Q1291-L1295 WeakPolarHBondContact O-CB 3.49Å; Q1291-L1295 WeakPolarHBondContact O-CD1 3.15Å; Q1291-L1295 VanDerWaalsContact O-CG 3.29Å; Q1291-L1295 WeakPolarHBondContact O-CG 3.4Å; Q1291-L1295 PolarHBondContact O-N 3.04Å |
| 1292 | L | 81.5 | Confident | 77 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.3 | -50.7 | 176.9 | 178.6 | 64.1 | 0 | 0 | 0 | 111.8 | W1241 V1244 N1245 L1248 L1270 V1288 L1289 F1290 D1294 L1295 L1296 | W1241-L1292 HydrophobicContact CB-CD2 4.14Å; W1241-L1292 HydrophobicContact CG-CD2 4.1Å; V1244-L1292 HydrophobicContact CB-CD1 4.14Å; V1244-L1292 HydrophobicContact CG1-CD1 3.57Å; N1245-L1292 WeakPolarHBondContact OD1-CA 3.43Å; N1245-L1292 VanDerWaalsContact OD1-CB 3.23Å; N1245-L1292 WeakPolarHBondContact OD1-CB 3.39Å; N1245-L1292 VanDerWaalsContact OD1-CD1 3.27Å; N1245-L1292 WeakPolarHBondContact OD1-CD1 3.41Å; N1245-L1292 PolarHBondContact OD1-N 3.28Å; L1248-L1292 HydrophobicContact CD1-CD1 3.69Å; L1270-L1292 HydrophobicContact CD1-CD2 4.22Å; V1288-L1292 PolarHBondContact O-N 3.01Å; L1289-L1292 HydrophobicContact CD1-CD2 4.27Å; L1289-L1292 WeakPolarHBondContact O-CB 3.41Å; L1289-L1292 PolarHBondContact O-N 3.2Å; F1290-L1292 VanDerWaalsContact C-N 3.31Å; F1290-L1292 PolarHBondContact O-N 3.43Å; L1292-D1294 VanDerWaalsContact C-N 3.27Å; L1292-D1294 PolarHBondContact O-N 3.12Å; L1292-L1295 PolarHBondContact O-N 3.34Å; L1292-L1295 VanDerWaalsContact O-N 3.16Å; L1292-L1296 WeakPolarHBondContact O-CG 3.25Å; L1292-L1296 PolarHBondContact O-N 3.5Å |
| 1293 | I | 82.8 | Confident | 77.7 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 177.6 | -67.9 | 169.8 | 0 | 0 | 0 | 110.6 | L1289 F1290 L1295 L1296 F1301 C1333 I1337 | L1289-I1293 HydrophobicContact CG-CD1 4.24Å; L1289-I1293 WeakPolarHBondContact O-CG1 3.41Å; L1289-I1293 PolarHBondContact O-N 3.15Å; F1290-I1293 PolarHBondContact O-N 2.81Å; I1293-L1295 VanDerWaalsContact C-N 3.29Å; I1293-L1295 PolarHBondContact O-N 3.27Å; I1293-L1296 PolarHBondContact O-N 3.4Å; I1293-F1301 HydrophobicContact CG2-CZ 4.36Å; I1293-C1333 HydrophobicContact CD1-CB 3.64Å; I1293-C1333 VanDerWaalsContact CD1-SG 3.53Å; I1293-I1337 HydrophobicContact CG2-CD1 4.13Å; I1293-I1337 HydrophobicContact CG2-CG1 3.55Å |
| 1294 | D | 77.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.5 | -22.6 | -179.8 | -65.6 | -19.9 | 0 | 0 | 0 | 113.7 | S1086 R1089 F1290 Q1291 L1292 R1336 H1341 | S1086-D1294 VanDerWaalsContact CB-OD2 3.3Å; S1086-D1294 WeakPolarHBondContact CB-OD2 3.23Å; S1086-D1294 WeakPolarHBondContact O-CB 3.49Å; R1089-D1294 IonicContact NH1-OD2 2.63Å; R1089-D1294 PolarHBondContact NH1-OD2 3.14Å; R1089-D1294 VanDerWaalsContact NH1-OD2 3.09Å; F1290-D1294 VanDerWaalsContact O-CB 3.27Å; F1290-D1294 WeakPolarHBondContact O-CB 3.41Å; F1290-D1294 PolarHBondContact O-N 2.99Å; F1290-D1294 VanDerWaalsContact O-OD2 3.1Å; Q1291-D1294 PolarHBondContact O-N 3.25Å; L1292-D1294 VanDerWaalsContact C-N 3.27Å; L1292-D1294 PolarHBondContact O-N 3.12Å; D1294-R1336 IonicContact OD1-CZ 3.05Å; D1294-R1336 IonicContact OD1-NE 3.35Å; D1294-R1336 PolarHBondContact OD1-NE 3.39Å; D1294-R1336 IonicContact OD1-NH2 2.67Å; D1294-R1336 PolarHBondContact OD1-NH2 3.21Å; D1294-R1336 IonicContact OD2-CZ 3.96Å; D1294-R1336 IonicContact OD2-NE 3.97Å; D1294-R1336 PolarHBondContact OD2-NE 3.34Å; D1294-R1336 IonicContact OD2-NH2 3.88Å; D1294-R1336 PolarHBondContact OD2-NH2 3.21Å; D1294-H1341 IonicContact OD1-CE1 2.73Å; D1294-H1341 IonicContact OD1-NE2 3.23Å; D1294-H1341 PolarHBondContact OD1-NE2 3.22Å |
| 1295 | L | 78.7 | Confident | 79.3 | Confident | 11 Ų | 11 | 23.3 Ų | 23.3 | 6% | 0.058 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -88.1 | -17.8 | 178.1 | -80 | 162.8 | 0 | 0 | 0 | 113.8 | N1245 L1248 L1249 W1259 Q1291 L1292 I1293 | N1245-L1295 HydrophobicContact CB-CD1 3.74Å; L1248-L1295 HydrophobicContact CD1-CB 4.32Å; L1249-L1295 HydrophobicContact CD2-CD2 3.49Å; L1249-L1295 VanDerWaalsContact CD2-CD2 3.49Å; L1249-L1295 HydrophobicContact CG-CD1 4.35Å; L1249-L1295 HydrophobicContact CG-CD2 3.86Å; W1259-L1295 PolarHBondContact NE1-O 2.94Å; Q1291-L1295 WeakPolarHBondContact O-CB 3.49Å; Q1291-L1295 WeakPolarHBondContact O-CD1 3.15Å; Q1291-L1295 VanDerWaalsContact O-CG 3.29Å; Q1291-L1295 WeakPolarHBondContact O-CG 3.4Å; Q1291-L1295 PolarHBondContact O-N 3.04Å; L1292-L1295 PolarHBondContact O-N 3.34Å; L1292-L1295 VanDerWaalsContact O-N 3.16Å; I1293-L1295 VanDerWaalsContact C-N 3.29Å; I1293-L1295 PolarHBondContact O-N 3.27Å |
| 1296 | L | 85 | Confident | 79.7 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -65.2 | 147.3 | 177.7 | -69.3 | 172.4 | 0 | 0 | 0 | 110.8 | L1248 I1266 L1292 I1293 P1298 F1301 | L1248-L1296 HydrophobicContact CD1-CD2 3.89Å; I1266-L1296 HydrophobicContact CB-CD2 3.95Å; I1266-L1296 HydrophobicContact CD1-CD2 4.17Å; I1266-L1296 HydrophobicContact CG2-CD1 4.37Å; I1266-L1296 HydrophobicContact CG2-CD2 3.89Å; L1292-L1296 WeakPolarHBondContact O-CG 3.25Å; L1292-L1296 PolarHBondContact O-N 3.5Å; I1293-L1296 PolarHBondContact O-N 3.4Å; L1296-P1298 WeakPolarHBondContact O-CD 3.41Å; L1296-F1301 HydrophobicContact CB-CE1 4.36Å; L1296-F1301 HydrophobicContact CB-CZ 3.97Å; L1296-F1301 HydrophobicContact CD1-CE1 4.11Å; L1296-F1301 HydrophobicContact CD1-CZ 4.41Å |
| 1297 | C | 81.9 | Confident | 80.1 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | trans | -60.5 | 127.4 | 174.4 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | W1259 R1260 S1263 R1299 A1300 | W1259-C1297 HydrophobicContact CD2-CB 4.5Å; W1259-C1297 HydrophobicContact CE3-CB 4.47Å; W1259-C1297 HydrophobicContact CH2-CB 3.79Å; W1259-C1297 HydrophobicContact CZ2-CB 3.77Å; W1259-C1297 HydrophobicContact CZ3-CB 4.15Å; R1260-C1297 HydrophobicContact CG-CB 4.45Å; S1263-C1297 PolarHBondContact OG-N 3.41Å; C1297-R1299 PolarHBondContact O-N 3.47Å; C1297-A1300 WeakPolarHBondContact O-CB 3.29Å; C1297-A1300 PolarHBondContact O-N 3.05Å | ||
| 1298 | P | 78.1 | Confident | 80.7 | Confident | 50 Ų | 50 | 26.8 Ų | 26.8 | 33% | 0.325 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -56.9 | -26.5 | 179.6 | -28.8 | 35.5 | 0 | 0 | 0 | 114.3 | L1296 A1300 F1301 | L1296-P1298 WeakPolarHBondContact O-CD 3.41Å; P1298-A1300 PolarHBondContact O-N 2.95Å; P1298-F1301 WeakPolarHBondContact O-CD2 3.17Å; P1298-F1301 PolarHBondContact O-N 3.42Å |
| 1299 | R | 79.9 | Confident | 81.2 | Confident | 187 Ų | 187 | 29 Ų | 29 | 71% | 0.706 | 15% | 0.15 | S | C | * | . | G | 310 helix | trans | -68.9 | -20 | 174.2 | -70.3 | -174.3 | 175.1 | -180 | -0.1 | 113.5 | C1297 F1301 C1302 | C1297-R1299 PolarHBondContact O-N 3.47Å; R1299-F1301 PolarHBondContact O-N 3.21Å; R1299-C1302 PolarHBondContact O-N 3.01Å |
| 1300 | A | 83.4 | Confident | 81.2 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.033 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -65.4 | -27 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1264 F1267 C1297 P1298 C1302 | R1264-A1300 HydrophobicContact CB-CB 4.45Å; R1264-A1300 WeakPolarHBondContact CD-O 3.1Å; R1264-A1300 PolarHBondContact NH1-O 2.71Å; F1267-A1300 HydrophobicContact CB-CB 4.39Å; F1267-A1300 VanDerWaalsContact CD1-O 3.24Å; F1267-A1300 WeakPolarHBondContact CD1-O 3.44Å; C1297-A1300 WeakPolarHBondContact O-CB 3.29Å; C1297-A1300 PolarHBondContact O-N 3.05Å; P1298-A1300 PolarHBondContact O-N 2.95Å; A1300-C1302 VanDerWaalsContact C-N 3.3Å; A1300-C1302 PolarHBondContact O-N 3.33Å |
| 1301 | F | 81.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -77 | -11.1 | -179.8 | -51.7 | -53.8 | 0 | 0 | 0 | 114.1 | F1267 I1293 L1296 P1298 R1299 P1303 I1304 I1337 H1341 | F1267-F1301 AromaticContact CD2-CD1 3.58Å; F1267-F1301 HydrophobicContact CD2-CD1 3.58Å; F1267-F1301 AromaticContact CD2-CE1 3.81Å; F1267-F1301 HydrophobicContact CD2-CE1 3.81Å; F1267-F1301 HydrophobicContact CE1-CD1 4.49Å; F1267-F1301 AromaticContact CE2-CD1 3.57Å; F1267-F1301 HydrophobicContact CE2-CD1 3.57Å; F1267-F1301 HydrophobicContact CE2-CE1 4.08Å; F1267-F1301 HydrophobicContact CG-CD1 4.07Å; F1267-F1301 HydrophobicContact CG-CE1 4.47Å; F1267-F1301 HydrophobicContact CZ-CD1 4.04Å; I1293-F1301 HydrophobicContact CG2-CZ 4.36Å; L1296-F1301 HydrophobicContact CB-CE1 4.36Å; L1296-F1301 HydrophobicContact CB-CZ 3.97Å; L1296-F1301 HydrophobicContact CD1-CE1 4.11Å; L1296-F1301 HydrophobicContact CD1-CZ 4.41Å; P1298-F1301 WeakPolarHBondContact O-CD2 3.17Å; P1298-F1301 PolarHBondContact O-N 3.42Å; R1299-F1301 PolarHBondContact O-N 3.21Å; F1301-P1303 CarbonylContact O-C 3.59Å; F1301-P1303 VanDerWaalsContact O-O 3.06Å; F1301-I1304 PolarHBondContact O-N 3.48Å; F1301-I1337 HydrophobicContact CB-CG2 4.08Å; F1301-I1337 HydrophobicContact CD1-CD1 4.42Å; F1301-I1337 HydrophobicContact CD1-CG1 4.48Å; F1301-I1337 HydrophobicContact CD1-CG2 3.76Å; F1301-I1337 HydrophobicContact CD2-CG2 4.06Å; F1301-I1337 HydrophobicContact CE1-CD1 4.18Å; F1301-I1337 HydrophobicContact CE1-CG1 4.14Å; F1301-I1337 HydrophobicContact CE1-CG2 4.18Å; F1301-I1337 HydrophobicContact CE2-CG2 4.46Å; F1301-I1337 HydrophobicContact CG-CG2 3.7Å; F1301-I1337 HydrophobicContact CZ-CG1 4.41Å; F1301-H1341 HydrophobicContact CD2-CB 4.13Å; F1301-H1341 HydrophobicContact CE2-CB 3.86Å; F1301-H1341 AromaticContact CE2-CG 3.98Å |
| 1302 | C | 76.5 | Confident | 81.5 | Confident | 69 Ų | 69 | 27.9 Ų | 27.9 | 47% | 0.466 | 15% | 0.147 | S | C | . | . | trans | -91.8 | 127.5 | -178.6 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | R1264 R1299 A1300 | R1264-C1302 PolarHBondContact NH1-O 3.48Å; R1299-C1302 PolarHBondContact O-N 3.01Å; A1300-C1302 VanDerWaalsContact C-N 3.3Å; A1300-C1302 PolarHBondContact O-N 3.33Å | ||
| 1303 | P | 79.2 | Confident | 81.5 | Confident | 55 Ų | 55 | 33.4 Ų | 33.4 | 36% | 0.357 | 18% | 0.175 | S | C | . | . | S | Bend | cis | -78.6 | 142.7 | 6.9 | 31.6 | -34.6 | 0 | 0 | 0 | 113.6 | F1301 D1305 | F1301-P1303 CarbonylContact O-C 3.59Å; F1301-P1303 VanDerWaalsContact O-O 3.06Å; P1303-D1305 VanDerWaalsContact C-N 3.26Å; P1303-D1305 PolarHBondContact O-N 2.99Å |
| 1304 | I | 81.8 | Confident | 81.3 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -7.9 | -177.2 | -55.1 | 167.2 | 0 | 0 | 0 | 111.7 | F1301 D1306 V1307 I1308 L1338 C1342 V1346 | F1301-I1304 PolarHBondContact O-N 3.48Å; I1304-D1306 VanDerWaalsContact C-N 3.27Å; I1304-D1306 PolarHBondContact O-N 3.05Å; I1304-V1307 HydrophobicContact CG2-CB 4.21Å; I1304-V1307 WeakPolarHBondContact O-CB 3.27Å; I1304-V1307 PolarHBondContact O-N 2.86Å; I1304-I1308 HydrophobicContact CG2-CD1 4.19Å; I1304-I1308 HydrophobicContact CG2-CG1 4.18Å; I1304-I1308 PolarHBondContact O-N 2.85Å; I1304-I1308 VanDerWaalsContact O-N 3.17Å; I1304-L1338 HydrophobicContact CG2-CD2 3.26Å; I1304-C1342 HydrophobicContact CD1-CB 3.95Å; I1304-C1342 VanDerWaalsContact CD1-SG 3.59Å; I1304-V1346 HydrophobicContact CD1-CG1 3.86Å |
| 1305 | D | 84.2 | Confident | 81.1 | Confident | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.193 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.8 | -39.5 | -172.2 | -58.9 | -43.4 | 0 | 0 | 0 | 112.4 | P1303 I1308 N1309 R1350 T1354 | P1303-D1305 VanDerWaalsContact C-N 3.26Å; P1303-D1305 PolarHBondContact O-N 2.99Å; D1305-I1308 PolarHBondContact O-N 3.2Å; D1305-N1309 WeakPolarHBondContact O-CB 3.43Å; D1305-N1309 VanDerWaalsContact O-CG 3.26Å; D1305-N1309 PolarHBondContact O-N 2.94Å; D1305-N1309 PolarHBondContact O-ND2 2.87Å; D1305-R1350 IonicContact OD1-NH1 3.08Å; D1305-R1350 IonicContact OD2-NH1 2.71Å; D1305-R1350 PolarHBondContact OD2-NH1 3.18Å; D1305-T1354 HydrophobicContact CB-CG2 4.06Å |
| 1306 | D | 79.7 | Confident | 80.8 | Confident | 82 Ų | 82 | 37.4 Ų | 37.4 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -72.6 | -29.6 | 179.9 | -59.6 | -40.6 | 0 | 0 | 0 | 113.1 | L1271 I1304 T1310 | L1271-D1306 HydrophobicContact CD2-CB 3.58Å; I1304-D1306 VanDerWaalsContact C-N 3.27Å; I1304-D1306 PolarHBondContact O-N 3.05Å; D1306-T1310 WeakPolarHBondContact O-CG2 3.42Å; D1306-T1310 PolarHBondContact O-N 3.33Å; D1306-T1310 VanDerWaalsContact O-N 3.08Å; D1306-T1310 PolarHBondContact O-OG1 2.92Å |
| 1307 | V | 84.4 | Confident | 80 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -41.2 | 173.6 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | F1267 L1271 I1304 T1310 L1311 L1334 L1338 | F1267-V1307 HydrophobicContact CE2-CG2 4.47Å; F1267-V1307 HydrophobicContact CZ-CG2 3.7Å; L1271-V1307 HydrophobicContact CD1-CG2 4.29Å; I1304-V1307 HydrophobicContact CG2-CB 4.21Å; I1304-V1307 WeakPolarHBondContact O-CB 3.27Å; I1304-V1307 PolarHBondContact O-N 2.86Å; V1307-T1310 PolarHBondContact O-OG1 2.96Å; V1307-L1311 WeakPolarHBondContact O-CB 3.41Å; V1307-L1311 PolarHBondContact O-N 3.36Å; V1307-L1334 HydrophobicContact CB-CD2 4.43Å; V1307-L1334 HydrophobicContact CG1-CB 4.26Å; V1307-L1334 HydrophobicContact CG1-CD2 3.74Å; V1307-L1338 HydrophobicContact CB-CD2 4.47Å; V1307-L1338 HydrophobicContact CG1-CD1 4.19Å; V1307-L1338 HydrophobicContact CG1-CD2 3.85Å; V1307-L1338 HydrophobicContact CG1-CG 3.82Å |
| 1308 | I | 83.7 | Confident | 78.8 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 177.7 | -63.5 | 170.3 | 0 | 0 | 0 | 110.3 | I1304 D1305 T1310 L1311 C1312 L1338 R1350 A1351 F1357 | I1304-I1308 HydrophobicContact CG2-CD1 4.19Å; I1304-I1308 HydrophobicContact CG2-CG1 4.18Å; I1304-I1308 PolarHBondContact O-N 2.85Å; I1304-I1308 VanDerWaalsContact O-N 3.17Å; D1305-I1308 PolarHBondContact O-N 3.2Å; I1308-T1310 PolarHBondContact O-N 3.37Å; I1308-L1311 PolarHBondContact O-N 2.93Å; I1308-C1312 WeakPolarHBondContact O-CB 3.24Å; I1308-C1312 PolarHBondContact O-N 3.36Å; I1308-C1312 PolarHBondContact O-SG 2.98Å; I1308-L1338 HydrophobicContact CG1-CD2 4.17Å; I1308-R1350 HydrophobicContact CD1-CB 4.32Å; I1308-A1351 HydrophobicContact CD1-CB 4.1Å; I1308-F1357 HydrophobicContact CG2-CB 4.39Å |
| 1309 | N | 84.5 | Confident | 77.6 | Confident | 45 Ų | 45 | 49 Ų | 49 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 178.4 | -76.5 | -33.1 | 0 | 0 | 0 | 112.6 | D1305 C1312 M1313 S1356 | D1305-N1309 WeakPolarHBondContact O-CB 3.43Å; D1305-N1309 VanDerWaalsContact O-CG 3.26Å; D1305-N1309 PolarHBondContact O-N 2.94Å; D1305-N1309 PolarHBondContact O-ND2 2.87Å; N1309-C1312 WeakPolarHBondContact O-CB 3.47Å; N1309-C1312 PolarHBondContact O-N 3.42Å; N1309-M1313 WeakPolarHBondContact O-CG 3.3Å; N1309-M1313 PolarHBondContact O-N 3.02Å; N1309-S1356 WeakPolarHBondContact OD1-CB 3.16Å; N1309-S1356 PolarHBondContact OD1-OG 3.21Å |
| 1310 | T | 82.1 | Confident | 76.2 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 178 | 44.3 | 0 | 0 | 0 | 0 | 111.8 | L1271 D1306 V1307 I1308 C1312 M1313 F1314 | L1271-T1310 HydrophobicContact CD1-CG2 4.5Å; D1306-T1310 WeakPolarHBondContact O-CG2 3.42Å; D1306-T1310 PolarHBondContact O-N 3.33Å; D1306-T1310 VanDerWaalsContact O-N 3.08Å; D1306-T1310 PolarHBondContact O-OG1 2.92Å; V1307-T1310 PolarHBondContact O-OG1 2.96Å; I1308-T1310 PolarHBondContact O-N 3.37Å; T1310-C1312 PolarHBondContact O-N 3.49Å; T1310-M1313 WeakPolarHBondContact O-CB 3.42Å; T1310-M1313 PolarHBondContact O-N 3.41Å; T1310-F1314 WeakPolarHBondContact O-CD2 3.44Å; T1310-F1314 PolarHBondContact O-N 2.92Å |
| 1311 | L | 83 | Confident | 74.7 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | 175.7 | -163.2 | 151.3 | 0 | 0 | 0 | 112 | V1307 I1308 F1314 A1315 L1334 L1338 L1380 F1384 | V1307-L1311 WeakPolarHBondContact O-CB 3.41Å; V1307-L1311 PolarHBondContact O-N 3.36Å; I1308-L1311 PolarHBondContact O-N 2.93Å; L1311-F1314 PolarHBondContact O-N 3.44Å; L1311-A1315 PolarHBondContact O-N 2.94Å; L1311-L1334 HydrophobicContact CB-CD1 4.48Å; L1311-L1334 HydrophobicContact CD1-CB 4.13Å; L1311-L1338 HydrophobicContact CD1-CD1 3.93Å; L1311-L1380 HydrophobicContact CD2-CD1 4.42Å; L1311-L1380 HydrophobicContact CD2-CD2 3.34Å; L1311-L1380 HydrophobicContact CD2-CG 3.8Å; L1311-F1384 HydrophobicContact CD2-CD2 4.28Å; L1311-F1384 HydrophobicContact CD2-CE2 3.47Å; L1311-F1384 VanDerWaalsContact CD2-CE2 3.47Å; L1311-F1384 HydrophobicContact CD2-CZ 4.21Å; L1311-F1384 HydrophobicContact CG-CE2 4.16Å |
| 1312 | C | 81 | Confident | 73.5 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 173.6 | -72 | 0 | 0 | 0 | 0 | 112.6 | I1308 N1309 T1310 F1314 A1315 S1316 L1360 | I1308-C1312 WeakPolarHBondContact O-CB 3.24Å; I1308-C1312 PolarHBondContact O-N 3.36Å; I1308-C1312 PolarHBondContact O-SG 2.98Å; N1309-C1312 WeakPolarHBondContact O-CB 3.47Å; N1309-C1312 PolarHBondContact O-N 3.42Å; T1310-C1312 PolarHBondContact O-N 3.49Å; C1312-F1314 VanDerWaalsContact C-N 3.3Å; C1312-F1314 PolarHBondContact O-N 2.72Å; C1312-A1315 PolarHBondContact O-N 3.03Å; C1312-S1316 PolarHBondContact O-N 3.2Å; C1312-L1360 HydrophobicContact CB-CD1 3.4Å; C1312-L1360 WeakPolarHBondContact O-CD1 3.31Å |
| 1313 | M | 82 | Confident | 73 | Confident | 117 Ų | 117 | 50.3 Ų | 50.3 | 58% | 0.576 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -56.7 | -42.2 | 176.2 | -79.5 | -91.5 | -71.7 | 0 | 0 | 112.1 | N1309 T1310 A1315 S1316 | N1309-M1313 WeakPolarHBondContact O-CG 3.3Å; N1309-M1313 PolarHBondContact O-N 3.02Å; T1310-M1313 WeakPolarHBondContact O-CB 3.42Å; T1310-M1313 PolarHBondContact O-N 3.41Å; M1313-A1315 PolarHBondContact O-N 2.89Å; M1313-S1316 PolarHBondContact O-N 2.79Å; M1313-S1316 PolarHBondContact O-OG 2.84Å |
| 1314 | F | 78.2 | Confident | 72.6 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 177.5 | -72.2 | -62.2 | 0 | 0 | 0 | 113.2 | L1274 T1310 L1311 C1312 S1316 K1317 Y1323 V1327 V1331 L1334 F1384 | L1274-F1314 WeakPolarHBondContact O-CZ 3.44Å; T1310-F1314 WeakPolarHBondContact O-CD2 3.44Å; T1310-F1314 PolarHBondContact O-N 2.92Å; L1311-F1314 PolarHBondContact O-N 3.44Å; C1312-F1314 VanDerWaalsContact C-N 3.3Å; C1312-F1314 PolarHBondContact O-N 2.72Å; F1314-S1316 PolarHBondContact O-N 2.88Å; F1314-K1317 PolarHBondContact O-N 3.15Å; F1314-Y1323 PolarHBondContact O-OH 3.48Å; F1314-V1327 HydrophobicContact CD1-CG1 3.43Å; F1314-V1327 VanDerWaalsContact CD1-CG1 3.43Å; F1314-V1327 HydrophobicContact CE1-CB 4.28Å; F1314-V1327 HydrophobicContact CE1-CG1 3.47Å; F1314-V1327 VanDerWaalsContact CE1-CG1 3.47Å; F1314-V1327 HydrophobicContact CE1-CG2 3.96Å; F1314-V1327 HydrophobicContact CG-CG1 4.18Å; F1314-V1327 HydrophobicContact CZ-CG1 4.23Å; F1314-V1331 HydrophobicContact CB-CG2 4.19Å; F1314-V1331 HydrophobicContact CD2-CG2 3.99Å; F1314-V1331 HydrophobicContact CG-CG2 4.13Å; F1314-L1334 HydrophobicContact CE2-CD1 4.34Å; F1314-F1384 HydrophobicContact CB-CE1 4.22Å; F1314-F1384 HydrophobicContact CB-CZ 4.18Å |
| 1315 | A | 74 | Confident | 72 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 12% | 0.116 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -19.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1311 C1312 M1313 L1360 L1380 F1384 | L1311-A1315 PolarHBondContact O-N 2.94Å; C1312-A1315 PolarHBondContact O-N 3.03Å; M1313-A1315 PolarHBondContact O-N 2.89Å; A1315-L1360 HydrophobicContact CB-CD1 4.48Å; A1315-L1360 HydrophobicContact CB-CD2 4.2Å; A1315-L1380 HydrophobicContact CB-CD1 3.46Å; A1315-L1380 VanDerWaalsContact CB-CD1 3.46Å; A1315-F1384 HydrophobicContact CB-CE2 4.18Å; A1315-F1384 HydrophobicContact CB-CZ 3.74Å |
| 1316 | S | 71.9 | Confident | 71.5 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.6 | 179.5 | 73.3 | 0 | 0 | 0 | 0 | 114.8 | C1312 M1313 F1314 | C1312-S1316 PolarHBondContact O-N 3.2Å; M1313-S1316 PolarHBondContact O-N 2.79Å; M1313-S1316 PolarHBondContact O-OG 2.84Å; F1314-S1316 PolarHBondContact O-N 2.88Å |
| 1317 | K | 68.1 | Low | 71.3 | Confident | 109 Ų | 109 | 46.6 Ų | 46.6 | 47% | 0.474 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -81.6 | 139.3 | -176.9 | -68.8 | -179.3 | 179.2 | 174.5 | 0 | 111.9 | F1314 | F1314-K1317 PolarHBondContact O-N 3.15Š|
| 1318 | P | 57.4 | Low | 71.2 | Confident | 88 Ų | 88 | 46.8 Ų | 46.8 | 57% | 0.571 | 28% | 0.277 | S | S | * | . | trans | -69.2 | 135.5 | -178.8 | 26.7 | -33.2 | 0 | 0 | 0 | 112.6 | T1320 V1321 | P1318-T1320 PolarHBondContact O-N 3.03Å; P1318-V1321 PolarHBondContact O-N 2.81Å | ||
| 1319 | L | 53.2 | Low | 71.2 | Confident | 103 Ų | 103 | 46.5 Ų | 46.5 | 54% | 0.539 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -21.2 | 179.6 | -86.7 | 149.5 | 0 | 0 | 0 | 115.4 | V1321 T1387 | L1319-V1321 PolarHBondContact O-N 3.4Å; L1319-V1321 VanDerWaalsContact O-N 3.17Å; L1319-T1387 HydrophobicContact CD2-CG2 3.65Å; L1319-T1387 HydrophobicContact CG-CG2 4.38Å |
| 1320 | T | 50 | Low | 71.2 | Confident | 130 Ų | 130 | 44.4 Ų | 44.4 | 80% | 0.798 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.9 | -177.6 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | P1318 | P1318-T1320 PolarHBondContact O-N 3.03Š|
| 1321 | V | 51.7 | Low | 71.3 | Confident | 113 Ų | 113 | 43.4 Ų | 43.4 | 69% | 0.685 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -113 | 84.7 | 175.1 | -169.7 | 0 | 0 | 0 | 0 | 107.1 | P1318 L1319 | P1318-V1321 PolarHBondContact O-N 2.81Å; L1319-V1321 PolarHBondContact O-N 3.4Å; L1319-V1321 VanDerWaalsContact O-N 3.17Å |
| 1322 | G | 56.7 | Low | 71.5 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 27% | 0.268 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 142.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1324 N1391 R1395 | G1322-S1324 PolarHBondContact O-N 3.16Å; G1322-N1391 WeakPolarHBondContact CA-OD1 3.32Å; G1322-R1395 PolarHBondContact O-NH2 2.86Å |
| 1323 | Y | 66.8 | Low | 71.8 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 8% | 0.078 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 127.5 | -175 | -69.8 | -66 | 0 | 0 | 0 | 111.2 | F1314 V1327 L1328 F1388 N1391 R1395 | F1314-Y1323 PolarHBondContact O-OH 3.48Å; Y1323-V1327 HydrophobicContact CD1-CB 4.23Å; Y1323-V1327 HydrophobicContact CD1-CG1 3.44Å; Y1323-V1327 VanDerWaalsContact CD1-CG1 3.44Å; Y1323-V1327 HydrophobicContact CE1-CG1 4.03Å; Y1323-V1327 HydrophobicContact CG-CG1 4.3Å; Y1323-L1328 HydrophobicContact CD2-CD2 4.42Å; Y1323-L1328 HydrophobicContact CG-CD2 4.41Å; Y1323-F1388 HydrophobicContact CD2-CD1 4.24Å; Y1323-F1388 HydrophobicContact CD2-CE1 4.13Å; Y1323-F1388 HydrophobicContact CE2-CE1 4.33Å; Y1323-N1391 WeakPolarHBondContact CD2-ND2 3.23Å; Y1323-R1395 PolarHBondContact O-NH1 3.1Å; Y1323-R1395 PolarHBondContact O-NH2 3.32Å |
| 1324 | S | 70.1 | Confident | 72.1 | Confident | 57 Ų | 57 | 37.6 Ų | 37.6 | 40% | 0.399 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 156.1 | 170.9 | 65 | 0 | 0 | 0 | 0 | 110.4 | G1322 G1326 V1327 L1328 | G1322-S1324 PolarHBondContact O-N 3.16Å; S1324-G1326 PolarHBondContact O-N 3.15Å; S1324-G1326 VanDerWaalsContact O-N 3.14Å; S1324-V1327 PolarHBondContact O-N 3.12Å; S1324-V1327 WeakPolarHBondContact OG-CG2 3.37Å; S1324-L1328 PolarHBondContact O-N 3.46Å |
| 1325 | S | 69.8 | Low | 72.5 | Confident | 19 Ų | 19 | 37.4 Ų | 37.4 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.6 | -33.1 | 176.9 | 53.4 | 0 | 0 | 0 | 0 | 113 | L1329 | S1325-L1329 WeakPolarHBondContact O-CB 3.47Å; S1325-L1329 PolarHBondContact O-N 2.97Å |
| 1326 | G | 72.4 | Confident | 73.2 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.1 | -37 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | S1324 S1330 | S1324-G1326 PolarHBondContact O-N 3.15Å; S1324-G1326 VanDerWaalsContact O-N 3.14Å; G1326-S1330 WeakPolarHBondContact O-CB 3.07Å; G1326-S1330 PolarHBondContact O-N 3.49Å; G1326-S1330 PolarHBondContact O-OG 3.02Å |
| 1327 | V | 77.1 | Confident | 73.9 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.5 | -42.1 | 175.4 | 176 | 0 | 0 | 0 | 0 | 111 | F1314 Y1323 S1324 L1329 S1330 V1331 | F1314-V1327 HydrophobicContact CD1-CG1 3.43Å; F1314-V1327 VanDerWaalsContact CD1-CG1 3.43Å; F1314-V1327 HydrophobicContact CE1-CB 4.28Å; F1314-V1327 HydrophobicContact CE1-CG1 3.47Å; F1314-V1327 VanDerWaalsContact CE1-CG1 3.47Å; F1314-V1327 HydrophobicContact CE1-CG2 3.96Å; F1314-V1327 HydrophobicContact CG-CG1 4.18Å; F1314-V1327 HydrophobicContact CZ-CG1 4.23Å; Y1323-V1327 HydrophobicContact CD1-CB 4.23Å; Y1323-V1327 HydrophobicContact CD1-CG1 3.44Å; Y1323-V1327 VanDerWaalsContact CD1-CG1 3.44Å; Y1323-V1327 HydrophobicContact CE1-CG1 4.03Å; Y1323-V1327 HydrophobicContact CG-CG1 4.3Å; S1324-V1327 PolarHBondContact O-N 3.12Å; S1324-V1327 WeakPolarHBondContact OG-CG2 3.37Å; V1327-L1329 PolarHBondContact O-N 3.23Å; V1327-S1330 PolarHBondContact O-N 2.91Å; V1327-V1331 HydrophobicContact CG1-CG2 4.47Å; V1327-V1331 WeakPolarHBondContact O-CG2 3.5Å; V1327-V1331 PolarHBondContact O-N 3.49Å |
| 1328 | L | 81.2 | Confident | 74.7 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.9 | -51.6 | 173.6 | -70.2 | 171.9 | 0 | 0 | 0 | 110.8 | Y1323 S1324 S1330 V1331 V1332 F1388 E1407 L1410 | Y1323-L1328 HydrophobicContact CD2-CD2 4.42Å; Y1323-L1328 HydrophobicContact CG-CD2 4.41Å; S1324-L1328 PolarHBondContact O-N 3.46Å; L1328-S1330 VanDerWaalsContact C-N 3.3Å; L1328-S1330 PolarHBondContact O-N 2.98Å; L1328-V1331 PolarHBondContact O-N 3.18Å; L1328-V1332 WeakPolarHBondContact O-CG2 3.37Å; L1328-V1332 PolarHBondContact O-N 2.91Å; L1328-F1388 HydrophobicContact CD2-CB 4.47Å; L1328-F1388 HydrophobicContact CD2-CD1 3.27Å; L1328-F1388 HydrophobicContact CD2-CD2 3.82Å; L1328-F1388 HydrophobicContact CD2-CE1 3.21Å; L1328-F1388 HydrophobicContact CD2-CE2 3.75Å; L1328-F1388 HydrophobicContact CD2-CG 3.59Å; L1328-F1388 HydrophobicContact CD2-CZ 3.44Å; L1328-F1388 VanDerWaalsContact CD2-CZ 3.44Å; L1328-E1407 HydrophobicContact CD1-CB 4.12Å; L1328-E1407 HydrophobicContact CD1-CG 3.81Å; L1328-L1410 HydrophobicContact CB-CD1 4.15Å |
| 1329 | L | 83.3 | Confident | 76 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.7 | -45.2 | 176.8 | 175.4 | 61.8 | 0 | 0 | 0 | 111.9 | V1280 V1286 L1289 F1290 S1325 V1327 V1331 V1332 C1333 L1410 | V1280-L1329 HydrophobicContact CB-CD2 4.45Å; V1280-L1329 HydrophobicContact CG1-CD2 4.37Å; V1280-L1329 HydrophobicContact CG2-CD2 3.23Å; V1286-L1329 HydrophobicContact CB-CD1 4.24Å; V1286-L1329 HydrophobicContact CG1-CD1 3.67Å; V1286-L1329 HydrophobicContact CG2-CD1 4Å; V1286-L1329 HydrophobicContact CG2-CD2 4.32Å; L1289-L1329 HydrophobicContact CD2-CD1 4.32Å; L1289-L1329 HydrophobicContact CD2-CD2 3.8Å; L1289-L1329 HydrophobicContact CD2-CG 4.21Å; F1290-L1329 HydrophobicContact CE1-CD1 3.85Å; F1290-L1329 HydrophobicContact CZ-CD1 4.17Å; S1325-L1329 WeakPolarHBondContact O-CB 3.47Å; S1325-L1329 PolarHBondContact O-N 2.97Å; V1327-L1329 PolarHBondContact O-N 3.23Å; L1329-V1331 VanDerWaalsContact C-N 3.35Å; L1329-V1331 PolarHBondContact O-N 2.92Å; L1329-V1332 PolarHBondContact O-N 3Å; L1329-V1332 VanDerWaalsContact O-N 3.16Å; L1329-C1333 WeakPolarHBondContact O-CB 3.48Å; L1329-C1333 PolarHBondContact O-N 3.49Å; L1329-C1333 PolarHBondContact O-SG 2.98Å; L1329-C1333 VanDerWaalsContact O-SG 3.35Å; L1329-L1410 HydrophobicContact CB-CD1 4.2Å; L1329-L1410 HydrophobicContact CB-CD2 4.3Å; L1329-L1410 HydrophobicContact CD1-CD2 3.8Å |
| 1330 | S | 84.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.4 | -43.1 | -177.2 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | L1274 G1326 V1327 L1328 V1332 C1333 L1334 | L1274-S1330 WeakPolarHBondContact O-CB 3.14Å; L1274-S1330 PolarHBondContact O-OG 3.27Å; L1274-S1330 VanDerWaalsContact O-OG 3.12Å; G1326-S1330 WeakPolarHBondContact O-CB 3.07Å; G1326-S1330 PolarHBondContact O-N 3.49Å; G1326-S1330 PolarHBondContact O-OG 3.02Å; V1327-S1330 PolarHBondContact O-N 2.91Å; L1328-S1330 VanDerWaalsContact C-N 3.3Å; L1328-S1330 PolarHBondContact O-N 2.98Å; S1330-V1332 PolarHBondContact O-N 3.44Å; S1330-C1333 PolarHBondContact O-N 3.49Å; S1330-L1334 WeakPolarHBondContact O-CB 3.37Å; S1330-L1334 VanDerWaalsContact O-CG 3.23Å; S1330-L1334 WeakPolarHBondContact O-CG 3.39Å; S1330-L1334 PolarHBondContact O-N 3.14Å |
| 1331 | V | 85.7 | Confident | 79 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 174.3 | 173 | 0 | 0 | 0 | 0 | 111.2 | F1314 V1327 L1328 L1329 L1334 A1335 F1384 F1388 | F1314-V1331 HydrophobicContact CB-CG2 4.19Å; F1314-V1331 HydrophobicContact CD2-CG2 3.99Å; F1314-V1331 HydrophobicContact CG-CG2 4.13Å; V1327-V1331 HydrophobicContact CG1-CG2 4.47Å; V1327-V1331 WeakPolarHBondContact O-CG2 3.5Å; V1327-V1331 PolarHBondContact O-N 3.49Å; L1328-V1331 PolarHBondContact O-N 3.18Å; L1329-V1331 VanDerWaalsContact C-N 3.35Å; L1329-V1331 PolarHBondContact O-N 2.92Å; V1331-L1334 PolarHBondContact O-N 3.03Å; V1331-A1335 VanDerWaalsContact O-CB 3.25Å; V1331-A1335 WeakPolarHBondContact O-CB 3.38Å; V1331-A1335 PolarHBondContact O-N 2.96Å; V1331-F1384 HydrophobicContact CG1-CD1 3.93Å; V1331-F1384 HydrophobicContact CG1-CD2 4.33Å; V1331-F1384 HydrophobicContact CG1-CE1 4.18Å; V1331-F1384 HydrophobicContact CG1-CG 4Å; V1331-F1384 HydrophobicContact CG1-CZ 4.49Å; V1331-F1384 HydrophobicContact CG2-CE1 4.14Å; V1331-F1388 HydrophobicContact CB-CZ 3.87Å; V1331-F1388 HydrophobicContact CG1-CE2 4.42Å; V1331-F1388 HydrophobicContact CG1-CZ 3.7Å; V1331-F1388 HydrophobicContact CG2-CZ 4.46Å |
| 1332 | V | 87 | Confident | 80.5 | Confident | 3 Ų | 3 | 11.1 Ų | 11.1 | 2% | 0.018 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 176.3 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | F1290 L1328 L1329 S1330 A1335 R1336 F1388 Y1414 | F1290-V1332 HydrophobicContact CE1-CG1 4.03Å; F1290-V1332 HydrophobicContact CZ-CB 4.45Å; F1290-V1332 HydrophobicContact CZ-CG1 3.57Å; L1328-V1332 WeakPolarHBondContact O-CG2 3.37Å; L1328-V1332 PolarHBondContact O-N 2.91Å; L1329-V1332 PolarHBondContact O-N 3Å; L1329-V1332 VanDerWaalsContact O-N 3.16Å; S1330-V1332 PolarHBondContact O-N 3.44Å; V1332-A1335 PolarHBondContact O-N 3.36Å; V1332-R1336 VanDerWaalsContact O-CB 3.25Å; V1332-R1336 WeakPolarHBondContact O-CB 3.46Å; V1332-R1336 PolarHBondContact O-N 3.24Å; V1332-F1388 HydrophobicContact CG2-CE2 4.14Å; V1332-Y1414 HydrophobicContact CG2-CD2 4.04Å; V1332-Y1414 HydrophobicContact CG2-CG 4.41Å |
| 1333 | C | 86.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 175.9 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | L1274 I1293 L1329 S1330 R1336 I1337 | L1274-C1333 HydrophobicContact CD2-CB 3.91Å; I1293-C1333 HydrophobicContact CD1-CB 3.64Å; I1293-C1333 VanDerWaalsContact CD1-SG 3.53Å; L1329-C1333 WeakPolarHBondContact O-CB 3.48Å; L1329-C1333 PolarHBondContact O-N 3.49Å; L1329-C1333 PolarHBondContact O-SG 2.98Å; L1329-C1333 VanDerWaalsContact O-SG 3.35Å; S1330-C1333 PolarHBondContact O-N 3.49Å; C1333-R1336 WeakPolarHBondContact O-CB 3.1Å; C1333-R1336 PolarHBondContact O-N 3.15Å; C1333-I1337 WeakPolarHBondContact O-CG1 3.23Å; C1333-I1337 PolarHBondContact O-N 2.98Å |
| 1334 | L | 88.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 178.7 | -66.4 | 168.2 | 0 | 0 | 0 | 111 | L1271 L1274 V1307 L1311 F1314 S1330 V1331 R1336 I1337 L1338 | L1271-L1334 HydrophobicContact CD1-CD2 3.96Å; L1274-L1334 HydrophobicContact CD1-CD2 3.74Å; L1274-L1334 HydrophobicContact CD1-CG 4.2Å; V1307-L1334 HydrophobicContact CB-CD2 4.43Å; V1307-L1334 HydrophobicContact CG1-CB 4.26Å; V1307-L1334 HydrophobicContact CG1-CD2 3.74Å; L1311-L1334 HydrophobicContact CB-CD1 4.48Å; L1311-L1334 HydrophobicContact CD1-CB 4.13Å; F1314-L1334 HydrophobicContact CE2-CD1 4.34Å; S1330-L1334 WeakPolarHBondContact O-CB 3.37Å; S1330-L1334 VanDerWaalsContact O-CG 3.23Å; S1330-L1334 WeakPolarHBondContact O-CG 3.39Å; S1330-L1334 PolarHBondContact O-N 3.14Å; V1331-L1334 PolarHBondContact O-N 3.03Å; L1334-R1336 VanDerWaalsContact C-N 3.3Å; L1334-R1336 PolarHBondContact O-N 3.04Å; L1334-I1337 PolarHBondContact O-N 3.02Å; L1334-L1338 WeakPolarHBondContact O-CG 3.32Å; L1334-L1338 PolarHBondContact O-N 3.46Å |
| 1335 | A | 87.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.6 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1331 V1332 L1338 L1339 Y1414 L1417 | V1331-A1335 VanDerWaalsContact O-CB 3.25Å; V1331-A1335 WeakPolarHBondContact O-CB 3.38Å; V1331-A1335 PolarHBondContact O-N 2.96Å; V1332-A1335 PolarHBondContact O-N 3.36Å; A1335-L1338 PolarHBondContact O-N 3.43Å; A1335-L1339 WeakPolarHBondContact O-CB 3.44Å; A1335-L1339 WeakPolarHBondContact O-CG 3.49Å; A1335-L1339 PolarHBondContact O-N 2.65Å; A1335-Y1414 HydrophobicContact CB-CD2 4.37Å; A1335-Y1414 HydrophobicContact CB-CE2 3.75Å; A1335-L1417 HydrophobicContact CB-CD2 4.48Å |
| 1336 | R | 88.1 | Confident | 84 | Confident | 14 Ų | 14 | 17.2 Ų | 17.2 | 5% | 0.053 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.3 | -170.7 | -178.2 | -174.6 | 87.2 | -3.4 | 112.1 | S1086 D1294 V1332 C1333 L1334 L1340 L1417 | S1086-R1336 PolarHBondContact OG-NH2 2.63Å; D1294-R1336 IonicContact OD1-CZ 3.05Å; D1294-R1336 IonicContact OD1-NE 3.35Å; D1294-R1336 PolarHBondContact OD1-NE 3.39Å; D1294-R1336 IonicContact OD1-NH2 2.67Å; D1294-R1336 PolarHBondContact OD1-NH2 3.21Å; D1294-R1336 IonicContact OD2-CZ 3.96Å; D1294-R1336 IonicContact OD2-NE 3.97Å; D1294-R1336 PolarHBondContact OD2-NE 3.34Å; D1294-R1336 IonicContact OD2-NH2 3.88Å; D1294-R1336 PolarHBondContact OD2-NH2 3.21Å; V1332-R1336 VanDerWaalsContact O-CB 3.25Å; V1332-R1336 WeakPolarHBondContact O-CB 3.46Å; V1332-R1336 PolarHBondContact O-N 3.24Å; C1333-R1336 WeakPolarHBondContact O-CB 3.1Å; C1333-R1336 PolarHBondContact O-N 3.15Å; L1334-R1336 VanDerWaalsContact C-N 3.3Å; L1334-R1336 PolarHBondContact O-N 3.04Å; R1336-L1340 HydrophobicContact CG-CB 4.29Å; R1336-L1340 HydrophobicContact CG-CD2 4.05Å; R1336-L1340 WeakPolarHBondContact O-CA 3.47Å; R1336-L1340 WeakPolarHBondContact O-CB 3.21Å; R1336-L1340 PolarHBondContact O-N 3.07Å; R1336-L1417 HydrophobicContact CB-CD1 3.83Å; R1336-L1417 HydrophobicContact CG-CD1 4.01Å |
| 1337 | I | 86.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -61 | -46.8 | 175.7 | -66.5 | 164.2 | 0 | 0 | 0 | 110.8 | F1267 I1293 F1301 C1333 L1334 H1341 C1342 | F1267-I1337 HydrophobicContact CE2-CD1 4.12Å; I1293-I1337 HydrophobicContact CG2-CD1 4.13Å; I1293-I1337 HydrophobicContact CG2-CG1 3.55Å; F1301-I1337 HydrophobicContact CB-CG2 4.08Å; F1301-I1337 HydrophobicContact CD1-CD1 4.42Å; F1301-I1337 HydrophobicContact CD1-CG1 4.48Å; F1301-I1337 HydrophobicContact CD1-CG2 3.76Å; F1301-I1337 HydrophobicContact CD2-CG2 4.06Å; F1301-I1337 HydrophobicContact CE1-CD1 4.18Å; F1301-I1337 HydrophobicContact CE1-CG1 4.14Å; F1301-I1337 HydrophobicContact CE1-CG2 4.18Å; F1301-I1337 HydrophobicContact CE2-CG2 4.46Å; F1301-I1337 HydrophobicContact CG-CG2 3.7Å; F1301-I1337 HydrophobicContact CZ-CG1 4.41Å; C1333-I1337 WeakPolarHBondContact O-CG1 3.23Å; C1333-I1337 PolarHBondContact O-N 2.98Å; L1334-I1337 PolarHBondContact O-N 3.02Å; I1337-H1341 PolarHBondContact O-N 3.2Å; I1337-C1342 PolarHBondContact O-N 2.82Å; I1337-C1342 PolarHBondContact O-SG 2.89Å; I1337-C1342 VanDerWaalsContact O-SG 3.4Å |
| 1338 | L | 85.5 | Confident | 84.8 | Confident | 13 Ų | 13 | 16.8 Ų | 16.8 | 7% | 0.068 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -66.3 | -45.8 | -178 | -69.1 | 175.1 | 0 | 0 | 0 | 113 | I1304 V1307 I1308 L1311 L1334 A1335 V1347 | I1304-L1338 HydrophobicContact CG2-CD2 3.26Å; V1307-L1338 HydrophobicContact CB-CD2 4.47Å; V1307-L1338 HydrophobicContact CG1-CD1 4.19Å; V1307-L1338 HydrophobicContact CG1-CD2 3.85Å; V1307-L1338 HydrophobicContact CG1-CG 3.82Å; I1308-L1338 HydrophobicContact CG1-CD2 4.17Å; L1311-L1338 HydrophobicContact CD1-CD1 3.93Å; L1334-L1338 WeakPolarHBondContact O-CG 3.32Å; L1334-L1338 PolarHBondContact O-N 3.46Å; A1335-L1338 PolarHBondContact O-N 3.43Å; L1338-V1347 HydrophobicContact CD2-CG1 4.35Å; L1338-V1347 HydrophobicContact CD2-CG2 4.47Å |
| 1339 | L | 84.7 | Confident | 84.9 | Confident | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -90.1 | -32.2 | -171.1 | -64.7 | 170.9 | 0 | 0 | 0 | 112.4 | A1335 L1381 L1417 W1420 V1421 H1427 I1430 | A1335-L1339 WeakPolarHBondContact O-CB 3.44Å; A1335-L1339 WeakPolarHBondContact O-CG 3.49Å; A1335-L1339 PolarHBondContact O-N 2.65Å; L1339-L1381 HydrophobicContact CD1-CD1 4.19Å; L1339-L1381 HydrophobicContact CD1-CD2 4.16Å; L1339-L1417 HydrophobicContact CB-CD2 4.01Å; L1339-L1417 HydrophobicContact CD1-CD2 3.27Å; L1339-L1417 HydrophobicContact CG-CD2 4.21Å; L1339-W1420 HydrophobicContact CB-CZ3 4.42Å; L1339-W1420 WeakPolarHBondContact O-CH2 3.3Å; L1339-W1420 WeakPolarHBondContact O-CZ3 3.28Å; L1339-V1421 HydrophobicContact CB-CG2 4.31Å; L1339-V1421 HydrophobicContact CD1-CG2 3.98Å; L1339-V1421 HydrophobicContact CD2-CG2 4.12Å; L1339-V1421 HydrophobicContact CG-CG2 4.36Å; L1339-H1427 PolarHBondContact O-CE1 2.98Å; L1339-H1427 VanDerWaalsContact O-CE1 3.28Å; L1339-H1427 PolarHBondContact O-NE2 2.98Å; L1339-I1430 HydrophobicContact CD2-CD1 4.44Å |
| 1340 | L | 83 | Confident | 84.8 | Confident | 13 Ų | 13 | 26.1 Ų | 26.1 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -92.1 | -39.6 | -175.2 | -164.5 | 62.7 | 0 | 0 | 0 | 113.4 | M1083 V1087 R1336 W1420 | M1083-L1340 HydrophobicContact CB-CD1 4.29Å; V1087-L1340 HydrophobicContact CG2-CD1 3.38Å; V1087-L1340 HydrophobicContact CG2-CD2 4.21Å; V1087-L1340 HydrophobicContact CG2-CG 3.5Å; V1087-L1340 VanDerWaalsContact CG2-CG 3.5Å; R1336-L1340 HydrophobicContact CG-CB 4.29Å; R1336-L1340 HydrophobicContact CG-CD2 4.05Å; R1336-L1340 WeakPolarHBondContact O-CA 3.47Å; R1336-L1340 WeakPolarHBondContact O-CB 3.21Å; R1336-L1340 PolarHBondContact O-N 3.07Å; L1340-W1420 HydrophobicContact CD1-CD2 4.33Å; L1340-W1420 HydrophobicContact CD1-CE3 4.4Å; L1340-W1420 HydrophobicContact CD1-CH2 3.7Å; L1340-W1420 HydrophobicContact CD1-CZ2 3.59Å; L1340-W1420 HydrophobicContact CD1-CZ3 4.12Å |
| 1341 | H | 82.7 | Confident | 84.6 | Confident | 24 Ų | 24 | 26.1 Ų | 26.1 | 11% | 0.111 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -104.9 | -18.9 | -169.4 | -67.1 | -70.5 | 0 | 0 | 0 | 114.5 | D1294 F1301 I1337 | D1294-H1341 IonicContact OD1-CE1 2.73Å; D1294-H1341 IonicContact OD1-NE2 3.23Å; D1294-H1341 PolarHBondContact OD1-NE2 3.22Å; F1301-H1341 HydrophobicContact CD2-CB 4.13Å; F1301-H1341 HydrophobicContact CE2-CB 3.86Å; F1301-H1341 AromaticContact CE2-CG 3.98Å; I1337-H1341 PolarHBondContact O-N 3.2Å |
| 1342 | C | 82.8 | Confident | 84.1 | Confident | 11 Ų | 11 | 27.4 Ų | 27.4 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -107.2 | 136.6 | -179.2 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | I1304 I1337 V1347 | I1304-C1342 HydrophobicContact CD1-CB 3.95Å; I1304-C1342 VanDerWaalsContact CD1-SG 3.59Å; I1337-C1342 PolarHBondContact O-N 2.82Å; I1337-C1342 PolarHBondContact O-SG 2.89Å; I1337-C1342 VanDerWaalsContact O-SG 3.4Å; C1342-V1347 HydrophobicContact CB-CG2 3.66Å |
| 1343 | P | 83.5 | Confident | 83.6 | Confident | 82 Ų | 82 | 31.9 Ų | 31.9 | 53% | 0.532 | 17% | 0.17 | S | C | . | . | trans | -70 | 141.8 | 173.9 | 28.6 | -32.8 | 0 | 0 | 0 | 110.9 | D1345 V1346 V1347 | P1343-D1345 VanDerWaalsContact C-N 3.34Å; P1343-D1345 PolarHBondContact O-N 3.35Å; P1343-V1346 HydrophobicContact CG-CB 4.07Å; P1343-V1346 HydrophobicContact CG-CG2 3.67Å; P1343-V1346 PolarHBondContact O-N 3.23Å; P1343-V1346 VanDerWaalsContact O-N 3.08Å; P1343-V1347 PolarHBondContact O-N 3.41Å | ||
| 1344 | E | 86 | Confident | 83.1 | Confident | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -49.8 | -48.4 | -174.8 | -179.3 | 178.8 | -132.6 | 0 | 0 | 113.3 | V1346 V1347 L1348 H1427 P1428 K1429 I1430 | E1344-V1346 PolarHBondContact O-N 2.94Å; E1344-V1347 PolarHBondContact O-N 2.97Å; E1344-V1347 VanDerWaalsContact O-N 3.09Å; E1344-L1348 HydrophobicContact CG-CD1 3.75Å; E1344-L1348 HydrophobicContact CG-CG 4.16Å; E1344-L1348 WeakPolarHBondContact O-CG 3.41Å; E1344-L1348 PolarHBondContact O-N 3.31Å; E1344-H1427 VanDerWaalsContact CD-CA 3.43Å; E1344-H1427 VanDerWaalsContact OE1-CA 3.32Å; E1344-H1427 WeakPolarHBondContact OE1-CA 3.15Å; E1344-P1428 WeakPolarHBondContact OE2-CD 3.4Å; E1344-P1428 WeakPolarHBondContact OE2-CG 3.03Å; E1344-K1429 WeakPolarHBondContact OE1-CA 3.45Å; E1344-K1429 WeakPolarHBondContact OE1-CB 3.5Å; E1344-K1429 PolarHBondContact OE1-N 3.15Å; E1344-K1429 PolarHBondContact OE2-N 3.1Å; E1344-I1430 HydrophobicContact CG-CD1 3.95Å; E1344-I1430 HydrophobicContact CG-CG1 4.26Å; E1344-I1430 WeakPolarHBondContact OE1-CG1 3.41Å; E1344-I1430 PolarHBondContact OE1-N 2.63Å |
| 1345 | D | 84.2 | Confident | 82.3 | Confident | 100 Ų | 100 | 36.8 Ų | 36.8 | 54% | 0.535 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59 | -35 | -176.6 | -71.8 | -38.6 | 0 | 0 | 0 | 112.8 | P1343 D1349 K1429 | P1343-D1345 VanDerWaalsContact C-N 3.34Å; P1343-D1345 PolarHBondContact O-N 3.35Å; D1345-D1349 VanDerWaalsContact O-CB 3.31Å; D1345-D1349 WeakPolarHBondContact O-CB 3.27Å; D1345-D1349 PolarHBondContact O-N 3.23Å; D1345-D1349 VanDerWaalsContact O-N 3.08Å; D1345-K1429 IonicContact OD1-NZ 2.8Å; D1345-K1429 PolarHBondContact OD1-NZ 3.41Å |
| 1346 | V | 83.2 | Confident | 81.6 | Confident | 59 Ų | 59 | 38 Ų | 38 | 36% | 0.358 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74 | -38.8 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | I1304 P1343 E1344 R1350 | I1304-V1346 HydrophobicContact CD1-CG1 3.86Å; P1343-V1346 HydrophobicContact CG-CB 4.07Å; P1343-V1346 HydrophobicContact CG-CG2 3.67Å; P1343-V1346 PolarHBondContact O-N 3.23Å; P1343-V1346 VanDerWaalsContact O-N 3.08Å; E1344-V1346 PolarHBondContact O-N 2.94Å; V1346-R1350 HydrophobicContact CG1-CG 4.49Å; V1346-R1350 WeakPolarHBondContact O-CB 3.31Å; V1346-R1350 VanDerWaalsContact O-CG 3.26Å; V1346-R1350 WeakPolarHBondContact O-CG 3.32Å; V1346-R1350 PolarHBondContact O-N 3.47Å; V1346-R1350 VanDerWaalsContact O-N 3.11Å |
| 1347 | V | 83.7 | Confident | 80.8 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -45.9 | 176.8 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | L1338 C1342 P1343 E1344 R1350 A1351 L1377 | L1338-V1347 HydrophobicContact CD2-CG1 4.35Å; L1338-V1347 HydrophobicContact CD2-CG2 4.47Å; C1342-V1347 HydrophobicContact CB-CG2 3.66Å; P1343-V1347 PolarHBondContact O-N 3.41Å; E1344-V1347 PolarHBondContact O-N 2.97Å; E1344-V1347 VanDerWaalsContact O-N 3.09Å; V1347-R1350 PolarHBondContact O-N 2.71Å; V1347-A1351 WeakPolarHBondContact O-CB 2.94Å; V1347-A1351 PolarHBondContact O-N 3.14Å; V1347-L1377 HydrophobicContact CG1-CD1 4.08Å |
| 1348 | L | 84 | Confident | 79.8 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.3 | -40 | -178.8 | -66.8 | 179.1 | 0 | 0 | 0 | 113 | E1344 S1352 E1374 K1429 I1430 | E1344-L1348 HydrophobicContact CG-CD1 3.75Å; E1344-L1348 HydrophobicContact CG-CG 4.16Å; E1344-L1348 WeakPolarHBondContact O-CG 3.41Å; E1344-L1348 PolarHBondContact O-N 3.31Å; L1348-S1352 PolarHBondContact O-N 3.45Å; L1348-S1352 VanDerWaalsContact O-N 3.1Å; L1348-E1374 HydrophobicContact CD1-CB 4.27Å; L1348-E1374 HydrophobicContact CD2-CB 3.95Å; L1348-K1429 HydrophobicContact CD1-CB 3.92Å; L1348-K1429 HydrophobicContact CD1-CD 3.65Å; L1348-K1429 HydrophobicContact CD1-CG 4.46Å; L1348-I1430 HydrophobicContact CD2-CD1 4.46Å; L1348-I1430 HydrophobicContact CD2-CG1 4.12Å |
| 1349 | D | 83 | Confident | 78.9 | Confident | 98 Ų | 98 | 46.9 Ų | 46.9 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 176.4 | -174 | 43.2 | 0 | 0 | 0 | 111.3 | D1345 S1352 N1353 | D1345-D1349 VanDerWaalsContact O-CB 3.31Å; D1345-D1349 WeakPolarHBondContact O-CB 3.27Å; D1345-D1349 PolarHBondContact O-N 3.23Å; D1345-D1349 VanDerWaalsContact O-N 3.08Å; D1349-S1352 WeakPolarHBondContact O-CB 3.45Å; D1349-S1352 PolarHBondContact O-N 3.15Å; D1349-S1352 PolarHBondContact O-OG 3.1Å; D1349-N1353 PolarHBondContact O-ND2 2.96Å |
| 1350 | R | 81.4 | Confident | 77.8 | Confident | 101 Ų | 101 | 49.5 Ų | 49.5 | 38% | 0.381 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.8 | -38.4 | 177.9 | -67.2 | -59.4 | -168 | 150.1 | -5.1 | 113.9 | D1305 I1308 V1346 V1347 S1352 N1353 T1354 | D1305-R1350 IonicContact OD1-NH1 3.08Å; D1305-R1350 IonicContact OD2-NH1 2.71Å; D1305-R1350 PolarHBondContact OD2-NH1 3.18Å; I1308-R1350 HydrophobicContact CD1-CB 4.32Å; V1346-R1350 HydrophobicContact CG1-CG 4.49Å; V1346-R1350 WeakPolarHBondContact O-CB 3.31Å; V1346-R1350 VanDerWaalsContact O-CG 3.26Å; V1346-R1350 WeakPolarHBondContact O-CG 3.32Å; V1346-R1350 PolarHBondContact O-N 3.47Å; V1346-R1350 VanDerWaalsContact O-N 3.11Å; V1347-R1350 PolarHBondContact O-N 2.71Å; R1350-S1352 PolarHBondContact O-N 3.45Å; R1350-N1353 PolarHBondContact O-N 3.32Å; R1350-N1353 VanDerWaalsContact O-N 3.07Å; R1350-T1354 PolarHBondContact O-N 3.45Å; R1350-T1354 PolarHBondContact O-OG1 3.12Å |
| 1351 | A | 79.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -34.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1308 V1347 N1353 T1354 F1357 L1377 | I1308-A1351 HydrophobicContact CD1-CB 4.1Å; V1347-A1351 WeakPolarHBondContact O-CB 2.94Å; V1347-A1351 PolarHBondContact O-N 3.14Å; A1351-N1353 PolarHBondContact O-N 2.94Å; A1351-T1354 VanDerWaalsContact CA-OG1 3.32Å; A1351-T1354 WeakPolarHBondContact CA-OG1 3.37Å; A1351-T1354 PolarHBondContact O-N 3.35Å; A1351-T1354 PolarHBondContact O-OG1 2.95Å; A1351-T1354 VanDerWaalsContact O-OG1 3.05Å; A1351-F1357 HydrophobicContact CB-CE1 4.44Å; A1351-F1357 WeakPolarHBondContact O-CD1 3.45Å; A1351-L1377 HydrophobicContact CB-CD1 4.3Å |
| 1352 | S | 76.8 | Confident | 74.9 | Confident | 27 Ų | 27 | 56.8 Ų | 56.8 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.9 | -31.4 | 175.9 | 86 | 0 | 0 | 0 | 0 | 113.3 | L1348 D1349 R1350 R1358 T1373 | L1348-S1352 PolarHBondContact O-N 3.45Å; L1348-S1352 VanDerWaalsContact O-N 3.1Å; D1349-S1352 WeakPolarHBondContact O-CB 3.45Å; D1349-S1352 PolarHBondContact O-N 3.15Å; D1349-S1352 PolarHBondContact O-OG 3.1Å; R1350-S1352 PolarHBondContact O-N 3.45Å; S1352-R1358 PolarHBondContact O-NE 3.05Å; S1352-R1358 PolarHBondContact O-NH2 3.1Å; S1352-T1373 VanDerWaalsContact CA-CG2 3.47Å; S1352-T1373 VanDerWaalsContact CB-CG2 3.43Å |
| 1353 | N | 75.1 | Confident | 73.4 | Confident | 96 Ų | 96 | 59.9 Ų | 59.9 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -97 | -6.5 | -171.8 | -69.4 | -46.2 | 0 | 0 | 0 | 113.3 | D1349 R1350 A1351 | D1349-N1353 PolarHBondContact O-ND2 2.96Å; R1350-N1353 PolarHBondContact O-N 3.32Å; R1350-N1353 VanDerWaalsContact O-N 3.07Å; A1351-N1353 PolarHBondContact O-N 2.94Å |
| 1354 | T | 76.9 | Confident | 71.7 | Confident | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | trans | -87.8 | 124.7 | -178.2 | 20.9 | 0 | 0 | 0 | 0 | 111.8 | D1305 R1350 A1351 R1358 | D1305-T1354 HydrophobicContact CB-CG2 4.06Å; R1350-T1354 PolarHBondContact O-N 3.45Å; R1350-T1354 PolarHBondContact O-OG1 3.12Å; A1351-T1354 VanDerWaalsContact CA-OG1 3.32Å; A1351-T1354 WeakPolarHBondContact CA-OG1 3.37Å; A1351-T1354 PolarHBondContact O-N 3.35Å; A1351-T1354 PolarHBondContact O-OG1 2.95Å; A1351-T1354 VanDerWaalsContact O-OG1 3.05Å; T1354-R1358 PolarHBondContact O-N 3.31Å | ||
| 1355 | P | 72.1 | Confident | 69.7 | Low | 99 Ų | 99 | 63 Ų | 63 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -71.8 | -33.3 | -173 | 26.5 | -33.6 | 0 | 0 | 0 | 113.6 | R1358 S1359 | P1355-R1358 PolarHBondContact O-N 3.34Å; P1355-S1359 PolarHBondContact O-N 2.71Å; P1355-S1359 VanDerWaalsContact O-N 3.12Å |
| 1356 | S | 71.5 | Confident | 67.7 | Low | 27 Ų | 27 | 64.4 Ų | 64.4 | 19% | 0.189 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 178.2 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | N1309 R1358 S1359 L1360 | N1309-S1356 WeakPolarHBondContact OD1-CB 3.16Å; N1309-S1356 PolarHBondContact OD1-OG 3.21Å; S1356-R1358 PolarHBondContact O-N 3.16Å; S1356-S1359 WeakPolarHBondContact O-CB 3.32Å; S1356-S1359 PolarHBondContact O-N 3.21Å; S1356-S1359 VanDerWaalsContact O-N 3.09Å; S1356-S1359 PolarHBondContact O-OG 3.06Å; S1356-L1360 PolarHBondContact O-N 3.03Å |
| 1357 | F | 71.5 | Confident | 65.5 | Low | 5 Ų | 5 | 68.3 Ų | 68.3 | 2% | 0.022 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.3 | -175.8 | -100.5 | 0 | 0 | 0 | 111.7 | I1308 A1351 S1359 L1360 Q1361 G1376 L1377 L1380 | I1308-F1357 HydrophobicContact CG2-CB 4.39Å; A1351-F1357 HydrophobicContact CB-CE1 4.44Å; A1351-F1357 WeakPolarHBondContact O-CD1 3.45Å; F1357-S1359 VanDerWaalsContact C-N 3.27Å; F1357-S1359 PolarHBondContact O-N 3.49Å; F1357-L1360 PolarHBondContact O-N 3.36Å; F1357-Q1361 PolarHBondContact O-N 3Å; F1357-G1376 VanDerWaalsContact CZ-C 3.48Å; F1357-L1377 HydrophobicContact CE2-CB 4.34Å; F1357-L1377 HydrophobicContact CZ-CB 4.07Å; F1357-L1380 HydrophobicContact CD2-CD2 4.34Å; F1357-L1380 HydrophobicContact CE2-CD2 4.12Å |
| 1358 | R | 65.7 | Low | 63.6 | Low | 133 Ų | 133 | 76 Ų | 76 | 50% | 0.502 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.1 | -32.8 | 173.2 | -66.6 | -176.8 | -175.3 | -177.5 | 1.1 | 112.5 | S1352 T1354 P1355 S1356 Q1361 I1362 | S1352-R1358 PolarHBondContact O-NE 3.05Å; S1352-R1358 PolarHBondContact O-NH2 3.1Å; T1354-R1358 PolarHBondContact O-N 3.31Å; P1355-R1358 PolarHBondContact O-N 3.34Å; S1356-R1358 PolarHBondContact O-N 3.16Å; R1358-Q1361 PolarHBondContact O-N 3.03Å; R1358-I1362 WeakPolarHBondContact O-CD1 3.36Å; R1358-I1362 WeakPolarHBondContact O-CG1 3.35Å |
| 1359 | S | 65.3 | Low | 61.7 | Low | 76 Ų | 76 | 85.1 Ų | 85.1 | 53% | 0.531 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.7 | -36.6 | -180 | 75.1 | 0 | 0 | 0 | 0 | 113.7 | P1355 S1356 F1357 Q1361 I1362 | P1355-S1359 PolarHBondContact O-N 2.71Å; P1355-S1359 VanDerWaalsContact O-N 3.12Å; S1356-S1359 WeakPolarHBondContact O-CB 3.32Å; S1356-S1359 PolarHBondContact O-N 3.21Å; S1356-S1359 VanDerWaalsContact O-N 3.09Å; S1356-S1359 PolarHBondContact O-OG 3.06Å; F1357-S1359 VanDerWaalsContact C-N 3.27Å; F1357-S1359 PolarHBondContact O-N 3.49Å; S1359-Q1361 VanDerWaalsContact C-N 3.29Å; S1359-Q1361 PolarHBondContact O-N 3.12Å; S1359-I1362 PolarHBondContact O-N 3.18Å |
| 1360 | L | 62.6 | Low | 60.2 | Low | 61 Ų | 61 | 85.8 Ų | 85.8 | 32% | 0.319 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.3 | -29.5 | 175.3 | -81.2 | 150.7 | 0 | 0 | 0 | 112.6 | C1312 A1315 S1356 F1357 I1362 | C1312-L1360 HydrophobicContact CB-CD1 3.4Å; C1312-L1360 WeakPolarHBondContact O-CD1 3.31Å; A1315-L1360 HydrophobicContact CB-CD1 4.48Å; A1315-L1360 HydrophobicContact CB-CD2 4.2Å; S1356-L1360 PolarHBondContact O-N 3.03Å; F1357-L1360 PolarHBondContact O-N 3.36Å; L1360-I1362 VanDerWaalsContact C-N 3.3Å; L1360-I1362 PolarHBondContact O-N 3.16Å |
| 1361 | Q | 56.1 | Low | 59.2 | Low | 49 Ų | 49 | 85.9 Ų | 85.9 | 23% | 0.229 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -68.9 | -26 | 175.6 | -70.3 | -176.6 | -28.2 | 0 | 0 | 113.3 | F1357 R1358 S1359 G1363 | F1357-Q1361 PolarHBondContact O-N 3Å; R1358-Q1361 PolarHBondContact O-N 3.03Å; S1359-Q1361 VanDerWaalsContact C-N 3.29Å; S1359-Q1361 PolarHBondContact O-N 3.12Å; Q1361-G1363 VanDerWaalsContact C-N 3.28Å; Q1361-G1363 PolarHBondContact O-N 3.5Å |
| 1362 | I | 48.2 | Very low | 58.8 | Low | 141 Ų | 141 | 92.1 Ų | 92.1 | 72% | 0.723 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -11.8 | -174.7 | -62.9 | 164.5 | 0 | 0 | 0 | 112 | R1358 S1359 L1360 S1364 | R1358-I1362 WeakPolarHBondContact O-CD1 3.36Å; R1358-I1362 WeakPolarHBondContact O-CG1 3.35Å; S1359-I1362 PolarHBondContact O-N 3.18Å; L1360-I1362 VanDerWaalsContact C-N 3.3Å; L1360-I1362 PolarHBondContact O-N 3.16Å; I1362-S1364 VanDerWaalsContact C-N 3.32Å; I1362-S1364 PolarHBondContact O-N 3.32Å |
| 1363 | G | 52.4 | Low | 58.8 | Low | 76 Ų | 76 | 92.8 Ų | 92.8 | 78% | 0.784 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -7.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q1361 | Q1361-G1363 VanDerWaalsContact C-N 3.28Å; Q1361-G1363 PolarHBondContact O-N 3.5Å |
| 1364 | S | 46.8 | Very low | 59.1 | Low | 44 Ų | 44 | 89.3 Ų | 89.3 | 31% | 0.308 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -123.7 | 100.7 | 178.4 | 59 | 0 | 0 | 0 | 0 | 111.6 | I1362 K1379 | I1362-S1364 VanDerWaalsContact C-N 3.32Å; I1362-S1364 PolarHBondContact O-N 3.32Å; S1364-K1379 PolarHBondContact OG-NZ 2.97Å |
| 1365 | T | 44.4 | Very low | 59.3 | Low | 114 Ų | 114 | 90.7 Ų | 90.7 | 70% | 0.699 | 50% | 0.498 | S | S | * | . | trans | 52.5 | 125.3 | 169.7 | 54 | 0 | 0 | 0 | 0 | 118 | D1367 | T1365-D1367 PolarHBondContact O-N 3.44Š| ||
| 1366 | P | 41.4 | Very low | 59.6 | Low | 129 Ų | 129 | 86.4 Ų | 86.4 | 84% | 0.838 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -84.9 | 10.9 | -164.5 | 34.6 | -36.5 | 0 | 0 | 0 | 117.3 | ||
| 1367 | D | 38.2 | Very low | 60.2 | Low | 140 Ų | 140 | 85.8 Ų | 85.8 | 75% | 0.749 | 47% | 0.466 | S | S | * | . | trans | -125.8 | 91.2 | -175 | -75.2 | -40.7 | 0 | 0 | 0 | 112 | T1365 | T1365-D1367 PolarHBondContact O-N 3.44Š| ||
| 1368 | E | 43.8 | Very low | 60.7 | Low | 165 Ų | 165 | 85.5 Ų | 85.5 | 77% | 0.771 | 47% | 0.465 | S | S | * | . | trans | -179.3 | 147.9 | 142.2 | -101.7 | 172.2 | -168.3 | 0 | 0 | 112.4 | ||||
| 1369 | K | 43.9 | Very low | 61.4 | Low | 203 Ų | 203 | 83.6 Ų | 83.6 | 88% | 0.883 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -79.2 | 134.9 | -166.6 | -69.8 | 170.8 | 177.4 | 171.4 | 0 | 112.5 | ||
| 1370 | S | 50.6 | Low | 62.3 | Low | 111 Ų | 111 | 81 Ų | 81 | 78% | 0.776 | 44% | 0.44 | S | S | * | . | trans | 53.6 | 75.9 | 167.2 | 64.2 | 0 | 0 | 0 | 0 | 116.6 | K1372 | S1370-K1372 PolarHBondContact O-N 3.22Š| ||
| 1371 | Y | 60.5 | Low | 63.4 | Low | 104 Ų | 104 | 78.5 Ų | 78.5 | 41% | 0.408 | 43% | 0.427 | S | S | . | . | trans | -63.1 | 121.4 | 163.9 | -73.9 | -78.1 | 0 | 0 | 0 | 110.4 | H1375 | Y1371-H1375 AromaticContact CD1-CD2 3.72Š| ||
| 1372 | K | 70.2 | Confident | 64.7 | Low | 131 Ų | 131 | 77.1 Ų | 77.1 | 57% | 0.57 | 42% | 0.421 | S | S | * | . | trans | -68.7 | 143.7 | 172.3 | -61.3 | -176.1 | -179 | 176.4 | 0 | 109.6 | S1370 E1374 H1375 G1376 | S1370-K1372 PolarHBondContact O-N 3.22Å; K1372-E1374 VanDerWaalsContact C-N 3.31Å; K1372-E1374 HydrophobicContact CB-CG 3.63Å; K1372-E1374 HydrophobicContact CD-CG 4.32Å; K1372-E1374 WeakPolarHBondContact CD-OE1 3.34Å; K1372-E1374 IonicContact NZ-OE1 2.61Å; K1372-E1374 PolarHBondContact O-N 3.06Å; K1372-H1375 WeakPolarHBondContact O-CB 3.4Å; K1372-H1375 PolarHBondContact O-N 2.81Å; K1372-H1375 VanDerWaalsContact O-N 3.07Å; K1372-G1376 PolarHBondContact O-N 2.81Å | ||
| 1373 | T | 76.9 | Confident | 66.3 | Low | 41 Ų | 41 | 73.6 Ų | 73.6 | 25% | 0.252 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.5 | -34.2 | -174.2 | 47.7 | 0 | 0 | 0 | 0 | 113 | S1352 H1375 G1376 L1377 | S1352-T1373 VanDerWaalsContact CA-CG2 3.47Å; S1352-T1373 VanDerWaalsContact CB-CG2 3.43Å; T1373-H1375 VanDerWaalsContact C-N 3.26Å; T1373-H1375 PolarHBondContact O-N 3.37Å; T1373-G1376 PolarHBondContact O-N 3.18Å; T1373-L1377 PolarHBondContact O-N 3.08Å |
| 1374 | E | 83 | Confident | 67.8 | Low | 23 Ų | 23 | 70 Ų | 70 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -51.3 | -41.1 | 168.6 | 47.2 | -177.6 | -145.4 | 0 | 0 | 112.9 | L1348 K1372 L1377 A1378 K1429 Q1433 | L1348-E1374 HydrophobicContact CD1-CB 4.27Å; L1348-E1374 HydrophobicContact CD2-CB 3.95Å; K1372-E1374 VanDerWaalsContact C-N 3.31Å; K1372-E1374 HydrophobicContact CB-CG 3.63Å; K1372-E1374 HydrophobicContact CD-CG 4.32Å; K1372-E1374 WeakPolarHBondContact CD-OE1 3.34Å; K1372-E1374 IonicContact NZ-OE1 2.61Å; K1372-E1374 PolarHBondContact O-N 3.06Å; E1374-L1377 PolarHBondContact O-N 2.83Å; E1374-A1378 PolarHBondContact O-N 3.16Å; E1374-A1378 VanDerWaalsContact O-N 3.08Å; E1374-K1429 WeakPolarHBondContact OE2-CB 3.3Å; E1374-Q1433 HydrophobicContact CB-CG 3.78Å; E1374-Q1433 HydrophobicContact CG-CG 3.66Å; E1374-Q1433 PolarHBondContact OE1-NE2 2.98Å |
| 1375 | H | 80.5 | Confident | 69.5 | Low | 33 Ų | 33 | 68 Ų | 68 | 15% | 0.153 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.7 | -44.7 | -178.9 | 179.4 | 78.4 | 0 | 0 | 0 | 112.3 | Y1371 K1372 T1373 L1377 A1378 K1379 Q1433 E1437 | Y1371-H1375 AromaticContact CD1-CD2 3.72Å; K1372-H1375 WeakPolarHBondContact O-CB 3.4Å; K1372-H1375 PolarHBondContact O-N 2.81Å; K1372-H1375 VanDerWaalsContact O-N 3.07Å; T1373-H1375 VanDerWaalsContact C-N 3.26Å; T1373-H1375 PolarHBondContact O-N 3.37Å; H1375-L1377 PolarHBondContact O-N 3.15Å; H1375-A1378 PolarHBondContact O-N 2.97Å; H1375-K1379 PolarHBondContact O-N 2.84Å; H1375-Q1433 HydrophobicContact CB-CG 4.26Å; H1375-Q1433 PolarHBondContact ND1-OE1 3.08Å; H1375-E1437 IonicContact CE1-OE1 3.71Å; H1375-E1437 PolarHBondContact CE1-OE1 2.9Å; H1375-E1437 IonicContact ND1-OE1 3.91Å; H1375-E1437 IonicContact NE2-OE1 2.69Å; H1375-E1437 PolarHBondContact NE2-OE1 3.42Å; H1375-E1437 VanDerWaalsContact NE2-OE1 3.08Å |
| 1376 | G | 78.3 | Confident | 71.2 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 9% | 0.093 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.1 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1357 K1372 T1373 L1380 | F1357-G1376 VanDerWaalsContact CZ-C 3.48Å; K1372-G1376 PolarHBondContact O-N 2.81Å; T1373-G1376 PolarHBondContact O-N 3.18Å; G1376-L1380 WeakPolarHBondContact O-CB 3.21Å; G1376-L1380 PolarHBondContact O-N 3.23Å; G1376-L1380 VanDerWaalsContact O-N 3.12Å |
| 1377 | L | 83.7 | Confident | 72.9 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.2 | -39.2 | -177.2 | -165.3 | 123.1 | 0 | 0 | 0 | 110.5 | V1347 A1351 F1357 T1373 E1374 H1375 L1380 L1381 I1430 | V1347-L1377 HydrophobicContact CG1-CD1 4.08Å; A1351-L1377 HydrophobicContact CB-CD1 4.3Å; F1357-L1377 HydrophobicContact CE2-CB 4.34Å; F1357-L1377 HydrophobicContact CZ-CB 4.07Å; T1373-L1377 PolarHBondContact O-N 3.08Å; E1374-L1377 PolarHBondContact O-N 2.83Å; H1375-L1377 PolarHBondContact O-N 3.15Å; L1377-L1380 PolarHBondContact O-N 3.05Å; L1377-L1381 HydrophobicContact CD2-CD1 4.13Å; L1377-L1381 WeakPolarHBondContact O-CG 3.33Å; L1377-L1381 PolarHBondContact O-N 3.37Å; L1377-L1381 VanDerWaalsContact O-N 3.08Å; L1377-I1430 HydrophobicContact CD2-CD1 3.65Å; L1377-I1430 HydrophobicContact CD2-CG1 4.04Å; L1377-I1430 HydrophobicContact CD2-CG2 4.37Å |
| 1378 | A | 82.8 | Confident | 75 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1374 H1375 L1380 L1381 L1382 Q1433 L1434 | E1374-A1378 PolarHBondContact O-N 3.16Å; E1374-A1378 VanDerWaalsContact O-N 3.08Å; H1375-A1378 PolarHBondContact O-N 2.97Å; A1378-L1380 VanDerWaalsContact C-N 3.33Å; A1378-L1380 PolarHBondContact O-N 3.41Å; A1378-L1381 PolarHBondContact O-N 3.09Å; A1378-L1382 PolarHBondContact O-N 3.12Å; A1378-L1382 VanDerWaalsContact O-N 3.1Å; A1378-Q1433 HydrophobicContact CB-CB 3.81Å; A1378-L1434 HydrophobicContact CB-CD2 3.8Å; A1378-L1434 HydrophobicContact CB-CG 3.85Å |
| 1379 | K | 80.3 | Confident | 76.6 | Confident | 93 Ų | 93 | 42.8 Ų | 42.8 | 40% | 0.404 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 177.3 | -171.1 | 175.6 | -172.4 | 170.2 | 0 | 112.5 | S1364 H1375 L1382 H1383 E1437 | S1364-K1379 PolarHBondContact OG-NZ 2.97Å; H1375-K1379 PolarHBondContact O-N 2.84Å; K1379-L1382 PolarHBondContact O-N 3.01Å; K1379-H1383 WeakPolarHBondContact O-CB 3.4Å; K1379-H1383 PolarHBondContact O-N 3.17Å; K1379-E1437 HydrophobicContact CB-CG 4.41Å |
| 1380 | L | 84 | Confident | 78.1 | Confident | 21 Ų | 21 | 36 Ų | 36 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 177.4 | -173.4 | 64.7 | 0 | 0 | 0 | 112 | L1311 A1315 F1357 G1376 L1377 A1378 H1383 F1384 | L1311-L1380 HydrophobicContact CD2-CD1 4.42Å; L1311-L1380 HydrophobicContact CD2-CD2 3.34Å; L1311-L1380 HydrophobicContact CD2-CG 3.8Å; A1315-L1380 HydrophobicContact CB-CD1 3.46Å; A1315-L1380 VanDerWaalsContact CB-CD1 3.46Å; F1357-L1380 HydrophobicContact CD2-CD2 4.34Å; F1357-L1380 HydrophobicContact CE2-CD2 4.12Å; G1376-L1380 WeakPolarHBondContact O-CB 3.21Å; G1376-L1380 PolarHBondContact O-N 3.23Å; G1376-L1380 VanDerWaalsContact O-N 3.12Å; L1377-L1380 PolarHBondContact O-N 3.05Å; A1378-L1380 VanDerWaalsContact C-N 3.33Å; A1378-L1380 PolarHBondContact O-N 3.41Å; L1380-H1383 WeakPolarHBondContact O-CB 3.11Å; L1380-H1383 PolarHBondContact O-N 2.65Å; L1380-F1384 HydrophobicContact CD1-CD2 4.44Å; L1380-F1384 HydrophobicContact CD1-CE2 3.74Å; L1380-F1384 HydrophobicContact CD1-CZ 4.48Å; L1380-F1384 HydrophobicContact CG-CD2 4.31Å; L1380-F1384 HydrophobicContact CG-CE2 3.87Å; L1380-F1384 WeakPolarHBondContact O-CD2 3.49Å; L1380-F1384 PolarHBondContact O-N 2.89Å; L1380-F1384 VanDerWaalsContact O-N 3.17Å |
| 1381 | L | 86.4 | Confident | 79.3 | Confident | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 177.4 | -67.6 | 173.5 | 0 | 0 | 0 | 112.1 | L1339 L1377 A1378 F1384 A1385 Y1414 L1418 I1430 | L1339-L1381 HydrophobicContact CD1-CD1 4.19Å; L1339-L1381 HydrophobicContact CD1-CD2 4.16Å; L1377-L1381 HydrophobicContact CD2-CD1 4.13Å; L1377-L1381 WeakPolarHBondContact O-CG 3.33Å; L1377-L1381 PolarHBondContact O-N 3.37Å; L1377-L1381 VanDerWaalsContact O-N 3.08Å; A1378-L1381 PolarHBondContact O-N 3.09Å; L1381-F1384 PolarHBondContact O-N 3.48Å; L1381-A1385 PolarHBondContact O-N 3.44Å; L1381-Y1414 WeakPolarHBondContact CA-OH 3.45Å; L1381-Y1414 WeakPolarHBondContact CD2-OH 3.28Å; L1381-Y1414 PolarHBondContact O-OH 3.29Å; L1381-L1418 HydrophobicContact CB-CD2 4.28Å; L1381-L1418 HydrophobicContact CD1-CD2 4.36Å; L1381-I1430 HydrophobicContact CD1-CG2 4.31Å |
| 1382 | L | 81.7 | Confident | 79.9 | Confident | 20 Ų | 20 | 26.6 Ų | 26.6 | 11% | 0.105 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.2 | -34.8 | 176.7 | -70 | 174.9 | 0 | 0 | 0 | 112.7 | A1378 K1379 A1385 S1386 L1434 E1437 M1438 L1443 | A1378-L1382 PolarHBondContact O-N 3.12Å; A1378-L1382 VanDerWaalsContact O-N 3.1Å; K1379-L1382 PolarHBondContact O-N 3.01Å; L1382-A1385 PolarHBondContact O-N 3.14Å; L1382-S1386 PolarHBondContact O-N 2.93Å; L1382-S1386 PolarHBondContact O-OG 3.17Å; L1382-L1434 HydrophobicContact CD1-CD2 3.92Å; L1382-L1434 HydrophobicContact CD2-CD2 4.08Å; L1382-L1434 HydrophobicContact CG-CD2 3.67Å; L1382-E1437 HydrophobicContact CD1-CB 3.66Å; L1382-M1438 HydrophobicContact CD1-CG 3.95Å; L1382-M1438 HydrophobicContact CD1-SD 3.96Å; L1382-M1438 HydrophobicContact CD2-CG 4.19Å; L1382-M1438 HydrophobicContact CD2-SD 3.49Å; L1382-M1438 WeakPolarHBondContact CD2-SD 3.39Å; L1382-M1438 HydrophobicContact CG-SD 4.37Å; L1382-L1443 HydrophobicContact CD2-CD1 3.98Å |
| 1383 | H | 82.1 | Confident | 79.9 | Confident | 67 Ų | 67 | 21.5 Ų | 21.5 | 31% | 0.31 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -59 | -47.8 | 172.8 | -177.2 | 70.7 | 0 | 0 | 0 | 110.9 | K1379 L1380 A1385 S1386 T1387 | K1379-H1383 WeakPolarHBondContact O-CB 3.4Å; K1379-H1383 PolarHBondContact O-N 3.17Å; L1380-H1383 WeakPolarHBondContact O-CB 3.11Å; L1380-H1383 PolarHBondContact O-N 2.65Å; H1383-A1385 PolarHBondContact O-N 3.14Å; H1383-S1386 PolarHBondContact O-N 3.26Å; H1383-S1386 PolarHBondContact O-OG 3.27Å; H1383-T1387 WeakPolarHBondContact O-CB 3.45Å; H1383-T1387 VanDerWaalsContact O-CG2 3.27Å; H1383-T1387 WeakPolarHBondContact O-CG2 3.18Å; H1383-T1387 PolarHBondContact O-N 3.26Å; H1383-T1387 PolarHBondContact O-OG1 3.17Å |
| 1384 | F | 84.5 | Confident | 79.3 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 175.2 | -73.4 | -64.2 | 0 | 0 | 0 | 112.8 | L1311 F1314 A1315 V1331 L1380 L1381 S1386 T1387 F1388 Y1414 | L1311-F1384 HydrophobicContact CD2-CD2 4.28Å; L1311-F1384 HydrophobicContact CD2-CE2 3.47Å; L1311-F1384 VanDerWaalsContact CD2-CE2 3.47Å; L1311-F1384 HydrophobicContact CD2-CZ 4.21Å; L1311-F1384 HydrophobicContact CG-CE2 4.16Å; F1314-F1384 HydrophobicContact CB-CE1 4.22Å; F1314-F1384 HydrophobicContact CB-CZ 4.18Å; A1315-F1384 HydrophobicContact CB-CE2 4.18Å; A1315-F1384 HydrophobicContact CB-CZ 3.74Å; V1331-F1384 HydrophobicContact CG1-CD1 3.93Å; V1331-F1384 HydrophobicContact CG1-CD2 4.33Å; V1331-F1384 HydrophobicContact CG1-CE1 4.18Å; V1331-F1384 HydrophobicContact CG1-CG 4Å; V1331-F1384 HydrophobicContact CG1-CZ 4.49Å; V1331-F1384 HydrophobicContact CG2-CE1 4.14Å; L1380-F1384 HydrophobicContact CD1-CD2 4.44Å; L1380-F1384 HydrophobicContact CD1-CE2 3.74Å; L1380-F1384 HydrophobicContact CD1-CZ 4.48Å; L1380-F1384 HydrophobicContact CG-CD2 4.31Å; L1380-F1384 HydrophobicContact CG-CE2 3.87Å; L1380-F1384 WeakPolarHBondContact O-CD2 3.49Å; L1380-F1384 PolarHBondContact O-N 2.89Å; L1380-F1384 VanDerWaalsContact O-N 3.17Å; L1381-F1384 PolarHBondContact O-N 3.48Å; F1384-S1386 PolarHBondContact O-N 3.33Å; F1384-T1387 WeakPolarHBondContact CA-OG1 3.37Å; F1384-T1387 PolarHBondContact O-N 3.49Å; F1384-T1387 PolarHBondContact O-OG1 3.35Å; F1384-T1387 VanDerWaalsContact O-OG1 3.05Å; F1384-F1388 HydrophobicContact CB-CE1 4.36Å; F1384-F1388 AromaticContact CD1-CE1 3.93Å; F1384-F1388 HydrophobicContact CD1-CE1 3.93Å; F1384-F1388 HydrophobicContact CD1-CZ 4.36Å; F1384-F1388 WeakPolarHBondContact O-CB 3.48Å; F1384-F1388 WeakPolarHBondContact O-CD1 3.37Å; F1384-F1388 WeakPolarHBondContact O-CG 3.49Å; F1384-F1388 PolarHBondContact O-N 2.63Å; F1384-Y1414 HydrophobicContact CB-CE1 4.11Å |
| 1385 | A | 82.9 | Confident | 78.3 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1381 L1382 H1383 C1389 Y1414 L1415 L1418 L1443 | L1381-A1385 PolarHBondContact O-N 3.44Å; L1382-A1385 PolarHBondContact O-N 3.14Å; H1383-A1385 PolarHBondContact O-N 3.14Å; A1385-C1389 WeakPolarHBondContact O-CB 3.45Å; A1385-C1389 PolarHBondContact O-N 3.42Å; A1385-C1389 VanDerWaalsContact O-N 3.15Å; A1385-C1389 PolarHBondContact O-SG 2.68Å; A1385-Y1414 HydrophobicContact CB-CD1 4.45Å; A1385-Y1414 HydrophobicContact CB-CE1 4.06Å; A1385-L1415 HydrophobicContact CB-CD2 4.23Å; A1385-L1418 HydrophobicContact CB-CD1 4.06Å; A1385-L1443 HydrophobicContact CB-CD1 4.48Å; A1385-L1443 HydrophobicContact CB-CD2 4.35Å |
| 1386 | S | 78.8 | Confident | 77.3 | Confident | 15 Ų | 15 | 27 Ų | 27 | 11% | 0.105 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.4 | -44.2 | 179 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | L1382 H1383 F1384 F1388 C1389 L1390 | L1382-S1386 PolarHBondContact O-N 2.93Å; L1382-S1386 PolarHBondContact O-OG 3.17Å; H1383-S1386 PolarHBondContact O-N 3.26Å; H1383-S1386 PolarHBondContact O-OG 3.27Å; F1384-S1386 PolarHBondContact O-N 3.33Å; S1386-F1388 PolarHBondContact O-N 3.29Å; S1386-C1389 PolarHBondContact O-N 3.07Å; S1386-L1390 WeakPolarHBondContact O-CB 3.38Å; S1386-L1390 WeakPolarHBondContact O-CG 3.4Å; S1386-L1390 PolarHBondContact O-N 3.48Å |
| 1387 | T | 78.9 | Confident | 76 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.3 | -32.6 | 179.9 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | L1319 H1383 F1384 N1391 | L1319-T1387 HydrophobicContact CD2-CG2 3.65Å; L1319-T1387 HydrophobicContact CG-CG2 4.38Å; H1383-T1387 WeakPolarHBondContact O-CB 3.45Å; H1383-T1387 VanDerWaalsContact O-CG2 3.27Å; H1383-T1387 WeakPolarHBondContact O-CG2 3.18Å; H1383-T1387 PolarHBondContact O-N 3.26Å; H1383-T1387 PolarHBondContact O-OG1 3.17Å; F1384-T1387 WeakPolarHBondContact CA-OG1 3.37Å; F1384-T1387 PolarHBondContact O-N 3.49Å; F1384-T1387 PolarHBondContact O-OG1 3.35Å; F1384-T1387 VanDerWaalsContact O-OG1 3.05Å; T1387-N1391 WeakPolarHBondContact O-CB 3.33Å; T1387-N1391 PolarHBondContact O-N 3.05Å; T1387-N1391 PolarHBondContact O-ND2 3.4Å |
| 1388 | F | 81.7 | Confident | 74.4 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.7 | -46.3 | 175.6 | -73.7 | 14.4 | 0 | 0 | 0 | 110.7 | Y1323 L1328 V1331 V1332 F1384 S1386 L1390 N1391 L1392 T1411 Y1414 | Y1323-F1388 HydrophobicContact CD2-CD1 4.24Å; Y1323-F1388 HydrophobicContact CD2-CE1 4.13Å; Y1323-F1388 HydrophobicContact CE2-CE1 4.33Å; L1328-F1388 HydrophobicContact CD2-CB 4.47Å; L1328-F1388 HydrophobicContact CD2-CD1 3.27Å; L1328-F1388 HydrophobicContact CD2-CD2 3.82Å; L1328-F1388 HydrophobicContact CD2-CE1 3.21Å; L1328-F1388 HydrophobicContact CD2-CE2 3.75Å; L1328-F1388 HydrophobicContact CD2-CG 3.59Å; L1328-F1388 HydrophobicContact CD2-CZ 3.44Å; L1328-F1388 VanDerWaalsContact CD2-CZ 3.44Å; V1331-F1388 HydrophobicContact CB-CZ 3.87Å; V1331-F1388 HydrophobicContact CG1-CE2 4.42Å; V1331-F1388 HydrophobicContact CG1-CZ 3.7Å; V1331-F1388 HydrophobicContact CG2-CZ 4.46Å; V1332-F1388 HydrophobicContact CG2-CE2 4.14Å; F1384-F1388 HydrophobicContact CB-CE1 4.36Å; F1384-F1388 AromaticContact CD1-CE1 3.93Å; F1384-F1388 HydrophobicContact CD1-CE1 3.93Å; F1384-F1388 HydrophobicContact CD1-CZ 4.36Å; F1384-F1388 WeakPolarHBondContact O-CB 3.48Å; F1384-F1388 WeakPolarHBondContact O-CD1 3.37Å; F1384-F1388 WeakPolarHBondContact O-CG 3.49Å; F1384-F1388 PolarHBondContact O-N 2.63Å; S1386-F1388 PolarHBondContact O-N 3.29Å; F1388-L1390 PolarHBondContact O-N 3.01Å; F1388-N1391 PolarHBondContact O-N 2.9Å; F1388-L1392 WeakPolarHBondContact O-CB 3.32Å; F1388-L1392 PolarHBondContact O-N 3.38Å; F1388-T1411 HydrophobicContact CB-CG2 4.03Å; F1388-Y1414 HydrophobicContact CD2-CD1 4.33Å; F1388-Y1414 HydrophobicContact CD2-CG 4.3Å; F1388-Y1414 HydrophobicContact CE2-CD2 4.4Å; F1388-Y1414 HydrophobicContact CE2-CG 4.18Å |
| 1389 | C | 77.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.2 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | A1385 S1386 L1392 I1393 I1446 I1450 | A1385-C1389 WeakPolarHBondContact O-CB 3.45Å; A1385-C1389 PolarHBondContact O-N 3.42Å; A1385-C1389 VanDerWaalsContact O-N 3.15Å; A1385-C1389 PolarHBondContact O-SG 2.68Å; S1386-C1389 PolarHBondContact O-N 3.07Å; C1389-L1392 PolarHBondContact O-N 2.97Å; C1389-I1393 WeakPolarHBondContact O-CG1 3.35Å; C1389-I1393 PolarHBondContact O-N 3.43Å; C1389-I1393 VanDerWaalsContact O-N 3.1Å; C1389-I1446 HydrophobicContact CB-CG2 3.47Å; C1389-I1446 VanDerWaalsContact CB-CG2 3.47Å; C1389-I1450 HydrophobicContact CB-CD1 3.69Å |
| 1390 | L | 75.3 | Confident | 71.2 | Confident | 61 Ų | 61 | 39.2 Ų | 39.2 | 32% | 0.319 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.8 | -46 | 174.9 | -72.8 | 170.1 | 0 | 0 | 0 | 112.1 | S1386 F1388 L1392 I1393 D1394 I1446 | S1386-L1390 WeakPolarHBondContact O-CB 3.38Å; S1386-L1390 WeakPolarHBondContact O-CG 3.4Å; S1386-L1390 PolarHBondContact O-N 3.48Å; F1388-L1390 PolarHBondContact O-N 3.01Å; L1390-L1392 PolarHBondContact O-N 3.25Å; L1390-I1393 HydrophobicContact CD2-CD1 4.43Å; L1390-I1393 WeakPolarHBondContact O-CB 3.23Å; L1390-I1393 PolarHBondContact O-N 3.33Å; L1390-I1393 VanDerWaalsContact O-N 3.09Å; L1390-D1394 PolarHBondContact O-N 3.24Å; L1390-I1446 HydrophobicContact CD1-CD1 4.15Å; L1390-I1446 HydrophobicContact CD2-CD1 3.99Å; L1390-I1446 HydrophobicContact CD2-CG1 3.87Å; L1390-I1446 HydrophobicContact CG-CD1 3.74Å; L1390-I1446 HydrophobicContact CG-CG1 4.19Å |
| 1391 | N | 75.5 | Confident | 69.5 | Low | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.064 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.2 | -37.4 | 174.7 | -88.7 | -63.8 | 0 | 0 | 0 | 112.2 | G1322 Y1323 T1387 F1388 R1395 | G1322-N1391 WeakPolarHBondContact CA-OD1 3.32Å; Y1323-N1391 WeakPolarHBondContact CD2-ND2 3.23Å; T1387-N1391 WeakPolarHBondContact O-CB 3.33Å; T1387-N1391 PolarHBondContact O-N 3.05Å; T1387-N1391 PolarHBondContact O-ND2 3.4Å; F1388-N1391 PolarHBondContact O-N 2.9Å; N1391-R1395 VanDerWaalsContact O-CB 3.27Å; N1391-R1395 WeakPolarHBondContact O-CB 3.37Å; N1391-R1395 WeakPolarHBondContact O-CG 3.36Å; N1391-R1395 PolarHBondContact O-N 3.21Å |
| 1392 | L | 72.7 | Confident | 67.6 | Low | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -39.8 | 177.4 | -175.1 | 143.8 | 0 | 0 | 0 | 112.2 | F1388 C1389 L1390 K1396 E1408 | F1388-L1392 WeakPolarHBondContact O-CB 3.32Å; F1388-L1392 PolarHBondContact O-N 3.38Å; C1389-L1392 PolarHBondContact O-N 2.97Å; L1390-L1392 PolarHBondContact O-N 3.25Å; L1392-K1396 HydrophobicContact CD2-CD 4.24Å; L1392-K1396 WeakPolarHBondContact O-CB 3.44Å; L1392-K1396 WeakPolarHBondContact O-CG 3.39Å; L1392-K1396 PolarHBondContact O-N 3.31Å; L1392-K1396 VanDerWaalsContact O-N 3.15Å; L1392-E1408 VanDerWaalsContact CD1-CA 3.43Å; L1392-E1408 HydrophobicContact CD1-CB 3.8Å; L1392-E1408 HydrophobicContact CD1-CG 4.16Å |
| 1393 | I | 69.3 | Low | 66.4 | Low | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -52.3 | 174.2 | -65.4 | 164 | 0 | 0 | 0 | 109.3 | C1389 L1390 R1395 V1397 I1446 K1449 I1450 | C1389-I1393 WeakPolarHBondContact O-CG1 3.35Å; C1389-I1393 PolarHBondContact O-N 3.43Å; C1389-I1393 VanDerWaalsContact O-N 3.1Å; L1390-I1393 HydrophobicContact CD2-CD1 4.43Å; L1390-I1393 WeakPolarHBondContact O-CB 3.23Å; L1390-I1393 PolarHBondContact O-N 3.33Å; L1390-I1393 VanDerWaalsContact O-N 3.09Å; I1393-R1395 PolarHBondContact O-N 3.08Å; I1393-V1397 VanDerWaalsContact O-CG2 3.24Å; I1393-V1397 WeakPolarHBondContact O-CG2 3.5Å; I1393-V1397 PolarHBondContact O-N 2.7Å; I1393-I1446 HydrophobicContact CD1-CG2 4.13Å; I1393-K1449 HydrophobicContact CD1-CB 4.1Å; I1393-I1450 HydrophobicContact CD1-CD1 4.1Å; I1393-I1450 HydrophobicContact CD1-CG1 3.7Å; I1393-I1450 HydrophobicContact CG1-CD1 4.16Å; I1393-I1450 HydrophobicContact CG1-CG1 3.64Å |
| 1394 | D | 65.3 | Low | 65.3 | Low | 91 Ų | 91 | 50.7 Ų | 50.7 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | -174.7 | -63.4 | -20.9 | 0 | 0 | 0 | 111.8 | L1390 V1397 E1398 | L1390-D1394 PolarHBondContact O-N 3.24Å; D1394-V1397 WeakPolarHBondContact O-CB 3.49Å; D1394-V1397 PolarHBondContact O-N 3.28Å; D1394-E1398 PolarHBondContact O-N 3.35Å |
| 1395 | R | 62.3 | Low | 64.4 | Low | 62 Ų | 62 | 54.3 Ų | 54.3 | 23% | 0.234 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -77.5 | -31.2 | -178.5 | -74.5 | -170.3 | 169.3 | 167.7 | 12.8 | 115.1 | G1322 Y1323 N1391 I1393 V1397 E1398 T1399 E1407 | G1322-R1395 PolarHBondContact O-NH2 2.86Å; Y1323-R1395 PolarHBondContact O-NH1 3.1Å; Y1323-R1395 PolarHBondContact O-NH2 3.32Å; N1391-R1395 VanDerWaalsContact O-CB 3.27Å; N1391-R1395 WeakPolarHBondContact O-CB 3.37Å; N1391-R1395 WeakPolarHBondContact O-CG 3.36Å; N1391-R1395 PolarHBondContact O-N 3.21Å; I1393-R1395 PolarHBondContact O-N 3.08Å; R1395-V1397 PolarHBondContact O-N 3.32Å; R1395-E1398 PolarHBondContact O-N 3Å; R1395-T1399 PolarHBondContact O-N 2.99Å; R1395-E1407 WeakPolarHBondContact CD-OE2 3.47Å; R1395-E1407 IonicContact CZ-OE1 3.65Å; R1395-E1407 IonicContact NH1-OE1 2.8Å; R1395-E1407 PolarHBondContact NH1-OE1 3.43Å; R1395-E1407 IonicContact NH1-OE2 2.81Å; R1395-E1407 PolarHBondContact NH1-OE2 3.29Å |
| 1396 | K | 58.1 | Low | 63.9 | Low | 60 Ų | 60 | 54.7 Ų | 54.7 | 26% | 0.261 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -25.3 | 172.3 | -82.1 | -162.6 | 174.6 | -163.1 | 0 | 112 | L1392 E1408 C1454 | L1392-K1396 HydrophobicContact CD2-CD 4.24Å; L1392-K1396 WeakPolarHBondContact O-CB 3.44Å; L1392-K1396 WeakPolarHBondContact O-CG 3.39Å; L1392-K1396 PolarHBondContact O-N 3.31Å; L1392-K1396 VanDerWaalsContact O-N 3.15Å; K1396-E1408 WeakPolarHBondContact CE-OE2 3.3Å; K1396-E1408 IonicContact NZ-OE1 2.76Å; K1396-E1408 IonicContact NZ-OE2 3.63Å; K1396-E1408 PolarHBondContact NZ-OE2 3.14Å; K1396-C1454 PolarHBondContact NZ-SG 3.23Å |
| 1397 | V | 51.9 | Low | 63.6 | Low | 40 Ų | 40 | 54.7 Ų | 54.7 | 24% | 0.242 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.9 | -32.4 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | R532 I1393 D1394 R1395 | R532-V1397 HydrophobicContact CB-CG1 3.96Å; R532-V1397 HydrophobicContact CG-CG1 3.75Å; R532-V1397 WeakPolarHBondContact CG-O 2.91Å; R532-V1397 PolarHBondContact NE-O 2.77Å; I1393-V1397 VanDerWaalsContact O-CG2 3.24Å; I1393-V1397 WeakPolarHBondContact O-CG2 3.5Å; I1393-V1397 PolarHBondContact O-N 2.7Å; D1394-V1397 WeakPolarHBondContact O-CB 3.49Å; D1394-V1397 PolarHBondContact O-N 3.28Å; R1395-V1397 PolarHBondContact O-N 3.32Å |
| 1398 | E | 49.5 | Very low | 63.4 | Low | 124 Ų | 124 | 55.9 Ų | 55.9 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -92.5 | -30.6 | -166.9 | -76.7 | -175.1 | 162.7 | 0 | 0 | 117.4 | D1394 R1395 | D1394-E1398 PolarHBondContact O-N 3.35Å; R1395-E1398 PolarHBondContact O-N 3Å |
| 1399 | T | 48.5 | Very low | 63.1 | Low | 48 Ų | 48 | 56 Ų | 56 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | trans | -153.6 | 150.5 | -171 | 55.9 | 0 | 0 | 0 | 0 | 118.1 | L261 R1395 K1401 | L261-T1399 HydrophobicContact CD2-CG2 4.43Å; R1395-T1399 PolarHBondContact O-N 2.99Å; T1399-K1401 PolarHBondContact O-N 3.27Å; T1399-K1401 WeakPolarHBondContact OG1-CG 3.39Å | ||
| 1400 | K | 47.7 | Very low | 63.2 | Low | 159 Ų | 159 | 56 Ų | 56 | 69% | 0.691 | 28% | 0.278 | S | S | * | . | trans | -66.5 | 29 | 165.7 | -73.3 | 178.5 | 179.1 | 164.7 | 0 | 113.6 | ||||
| 1401 | K | 49.1 | Very low | 63.5 | Low | 111 Ų | 111 | 53.1 Ų | 53.1 | 48% | 0.483 | 26% | 0.263 | S | S | . | . | trans | -77.3 | 130 | -174 | -79.9 | -179 | -179.1 | 177.6 | 0 | 111.8 | T1399 N1403 S1404 | T1399-K1401 PolarHBondContact O-N 3.27Å; T1399-K1401 WeakPolarHBondContact OG1-CG 3.39Å; K1401-N1403 PolarHBondContact O-N 3.45Å; K1401-S1404 PolarHBondContact O-N 2.83Å; K1401-S1404 PolarHBondContact O-OG 3.46Å | ||
| 1402 | L | 47.1 | Very low | 63.8 | Low | 153 Ų | 153 | 52.7 Ų | 52.7 | 80% | 0.801 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -24.4 | 171.6 | -87.6 | 131.2 | 0 | 0 | 0 | 113.9 | ||
| 1403 | N | 55.5 | Low | 64.3 | Low | 64 Ų | 64 | 53.4 Ų | 53.4 | 34% | 0.342 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11.3 | -176.1 | -68.3 | -8 | 0 | 0 | 0 | 115 | K1401 N1405 L1406 E1407 | K1401-N1403 PolarHBondContact O-N 3.45Å; N1403-N1405 PolarHBondContact O-N 3.17Å; N1403-L1406 WeakPolarHBondContact O-CB 3.39Å; N1403-L1406 PolarHBondContact O-N 3.31Å; N1403-E1407 WeakPolarHBondContact O-CG 3.3Å; N1403-E1407 PolarHBondContact O-N 3.43Å |
| 1404 | S | 59.9 | Low | 65.1 | Low | 31 Ų | 31 | 52.4 Ų | 52.4 | 22% | 0.217 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.3 | -35.4 | -179.6 | 66 | 0 | 0 | 0 | 0 | 112.3 | K1401 L1406 E1407 E1408 | K1401-S1404 PolarHBondContact O-N 2.83Å; K1401-S1404 PolarHBondContact O-OG 3.46Å; S1404-L1406 VanDerWaalsContact C-N 3.35Å; S1404-E1407 PolarHBondContact O-N 3Å; S1404-E1408 WeakPolarHBondContact O-CB 3.41Å; S1404-E1408 PolarHBondContact O-N 3.2Å |
| 1405 | N | 65.3 | Low | 66.1 | Low | 77 Ų | 77 | 48.1 Ų | 48.1 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.1 | -31.5 | 178.3 | -66 | -23.2 | 0 | 0 | 0 | 112.4 | N1403 S1409 | N1403-N1405 PolarHBondContact O-N 3.17Å; N1405-S1409 WeakPolarHBondContact O-CB 3.34Å; N1405-S1409 PolarHBondContact O-N 3.27Å; N1405-S1409 VanDerWaalsContact O-N 3.1Å |
| 1406 | L | 70.8 | Confident | 67.2 | Low | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.3 | -45.1 | 175.4 | 176.2 | 65.2 | 0 | 0 | 0 | 110 | V1280 Q1283 V1286 N1403 S1404 S1409 L1410 | V1280-L1406 HydrophobicContact CB-CD2 4.33Å; V1280-L1406 HydrophobicContact CG1-CD1 4.14Å; V1280-L1406 HydrophobicContact CG1-CD2 3.73Å; Q1283-L1406 HydrophobicContact CB-CD1 4.44Å; V1286-L1406 HydrophobicContact CG2-CD1 3.7Å; N1403-L1406 WeakPolarHBondContact O-CB 3.39Å; N1403-L1406 PolarHBondContact O-N 3.31Å; S1404-L1406 VanDerWaalsContact C-N 3.35Å; L1406-S1409 PolarHBondContact O-N 3.24Å; L1406-L1410 HydrophobicContact CD1-CD1 4.32Å; L1406-L1410 HydrophobicContact CD1-CG 4.42Å; L1406-L1410 HydrophobicContact CG-CD1 4.09Å; L1406-L1410 WeakPolarHBondContact O-CB 3.25Å; L1406-L1410 VanDerWaalsContact O-CG 3.27Å; L1406-L1410 WeakPolarHBondContact O-CG 3.48Å; L1406-L1410 PolarHBondContact O-N 2.77Å |
| 1407 | E | 73.4 | Confident | 68.5 | Low | 15 Ų | 15 | 42.7 Ų | 42.7 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -39.5 | 177.1 | -64.7 | 177.1 | -176.8 | 0 | 0 | 112.1 | L1328 R1395 N1403 S1404 L1410 T1411 | L1328-E1407 HydrophobicContact CD1-CB 4.12Å; L1328-E1407 HydrophobicContact CD1-CG 3.81Å; R1395-E1407 WeakPolarHBondContact CD-OE2 3.47Å; R1395-E1407 IonicContact CZ-OE1 3.65Å; R1395-E1407 IonicContact NH1-OE1 2.8Å; R1395-E1407 PolarHBondContact NH1-OE1 3.43Å; R1395-E1407 IonicContact NH1-OE2 2.81Å; R1395-E1407 PolarHBondContact NH1-OE2 3.29Å; N1403-E1407 WeakPolarHBondContact O-CG 3.3Å; N1403-E1407 PolarHBondContact O-N 3.43Å; S1404-E1407 PolarHBondContact O-N 3Å; E1407-L1410 PolarHBondContact O-N 3.42Å; E1407-T1411 WeakPolarHBondContact O-CB 3.47Å; E1407-T1411 PolarHBondContact O-N 3.05Å; E1407-T1411 PolarHBondContact O-OG1 3.38Å |
| 1408 | E | 74.2 | Confident | 70.2 | Confident | 26 Ų | 26 | 41.2 Ų | 41.2 | 12% | 0.121 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 171.3 | 179 | 175.2 | 175.1 | 0 | 0 | 112 | L1392 K1396 S1404 T1411 N1412 C1454 V1457 | L1392-E1408 VanDerWaalsContact CD1-CA 3.43Å; L1392-E1408 HydrophobicContact CD1-CB 3.8Å; L1392-E1408 HydrophobicContact CD1-CG 4.16Å; K1396-E1408 WeakPolarHBondContact CE-OE2 3.3Å; K1396-E1408 IonicContact NZ-OE1 2.76Å; K1396-E1408 IonicContact NZ-OE2 3.63Å; K1396-E1408 PolarHBondContact NZ-OE2 3.14Å; S1404-E1408 WeakPolarHBondContact O-CB 3.41Å; S1404-E1408 PolarHBondContact O-N 3.2Å; E1408-T1411 PolarHBondContact O-N 3.15Å; E1408-N1412 WeakPolarHBondContact O-CB 3.29Å; E1408-N1412 PolarHBondContact O-N 3.42Å; E1408-C1454 PolarHBondContact OE1-SG 3.3Å; E1408-C1454 PolarHBondContact OE2-SG 3.3Å; E1408-V1457 HydrophobicContact CG-CG2 4.32Å |
| 1409 | S | 75.4 | Confident | 71.9 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.028 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | 179.1 | -161.6 | 0 | 0 | 0 | 0 | 112.2 | Q1283 N1405 L1406 N1412 D1413 | Q1283-S1409 VanDerWaalsContact CD-CB 3.45Å; Q1283-S1409 PolarHBondContact NE2-OG 3.39Å; Q1283-S1409 VanDerWaalsContact OE1-CB 3.25Å; Q1283-S1409 PolarHBondContact OE1-OG 3.37Å; N1405-S1409 WeakPolarHBondContact O-CB 3.34Å; N1405-S1409 PolarHBondContact O-N 3.27Å; N1405-S1409 VanDerWaalsContact O-N 3.1Å; L1406-S1409 PolarHBondContact O-N 3.24Å; S1409-N1412 CarbonylContact O-C 3.55Å; S1409-N1412 WeakPolarHBondContact O-CB 3.06Å; S1409-N1412 PolarHBondContact O-N 3.26Å; S1409-D1413 WeakPolarHBondContact O-CB 3.2Å; S1409-D1413 PolarHBondContact O-N 2.91Å |
| 1410 | L | 79.5 | Confident | 73.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.5 | -73.2 | 171.4 | 0 | 0 | 0 | 112.2 | V1286 L1328 L1329 L1406 E1407 N1412 D1413 Y1414 | V1286-L1410 HydrophobicContact CB-CD2 4.5Å; V1286-L1410 HydrophobicContact CG1-CD2 3.7Å; V1286-L1410 HydrophobicContact CG2-CD2 4.02Å; L1328-L1410 HydrophobicContact CB-CD1 4.15Å; L1329-L1410 HydrophobicContact CB-CD1 4.2Å; L1329-L1410 HydrophobicContact CB-CD2 4.3Å; L1329-L1410 HydrophobicContact CD1-CD2 3.8Å; L1406-L1410 HydrophobicContact CD1-CD1 4.32Å; L1406-L1410 HydrophobicContact CD1-CG 4.42Å; L1406-L1410 HydrophobicContact CG-CD1 4.09Å; L1406-L1410 WeakPolarHBondContact O-CB 3.25Å; L1406-L1410 VanDerWaalsContact O-CG 3.27Å; L1406-L1410 WeakPolarHBondContact O-CG 3.48Å; L1406-L1410 PolarHBondContact O-N 2.77Å; E1407-L1410 PolarHBondContact O-N 3.42Å; L1410-N1412 VanDerWaalsContact C-N 3.31Å; L1410-D1413 PolarHBondContact O-N 3.49Å; L1410-Y1414 PolarHBondContact O-N 3.38Å |
| 1411 | T | 82.2 | Confident | 75.3 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -44 | 174.1 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | F1388 E1407 E1408 Y1414 L1415 V1457 | F1388-T1411 HydrophobicContact CB-CG2 4.03Å; E1407-T1411 WeakPolarHBondContact O-CB 3.47Å; E1407-T1411 PolarHBondContact O-N 3.05Å; E1407-T1411 PolarHBondContact O-OG1 3.38Å; E1408-T1411 PolarHBondContact O-N 3.15Å; T1411-Y1414 PolarHBondContact O-N 3.09Å; T1411-L1415 HydrophobicContact CG2-CD1 4.31Å; T1411-L1415 VanDerWaalsContact O-CG 3.3Å; T1411-L1415 WeakPolarHBondContact O-CG 3.35Å; T1411-L1415 PolarHBondContact O-N 3.42Å; T1411-V1457 HydrophobicContact CG2-CG1 4.31Å |
| 1412 | N | 82.5 | Confident | 76.9 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.8 | -172.1 | 65.9 | 0 | 0 | 0 | 112.5 | E1408 S1409 L1410 Y1414 L1415 E1416 V1457 N1460 | E1408-N1412 WeakPolarHBondContact O-CB 3.29Å; E1408-N1412 PolarHBondContact O-N 3.42Å; S1409-N1412 CarbonylContact O-C 3.55Å; S1409-N1412 WeakPolarHBondContact O-CB 3.06Å; S1409-N1412 PolarHBondContact O-N 3.26Å; L1410-N1412 VanDerWaalsContact C-N 3.31Å; N1412-Y1414 VanDerWaalsContact C-N 3.3Å; N1412-Y1414 PolarHBondContact O-N 2.91Å; N1412-L1415 PolarHBondContact O-N 2.96Å; N1412-E1416 PolarHBondContact ND2-OE1 2.85Å; N1412-E1416 WeakPolarHBondContact O-CB 3.4Å; N1412-E1416 WeakPolarHBondContact O-CG 3.41Å; N1412-E1416 PolarHBondContact O-N 2.99Å; N1412-V1457 HydrophobicContact CB-CG2 4.36Å; N1412-N1460 PolarHBondContact OD1-ND2 3.45Å |
| 1413 | D | 81.7 | Confident | 78.5 | Confident | 19 Ų | 19 | 16.9 Ų | 16.9 | 10% | 0.102 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.5 | -37.3 | 177.2 | -75.1 | -42.3 | 0 | 0 | 0 | 111.7 | K1082 Q1283 F1290 S1409 L1410 L1417 | K1082-D1413 IonicContact NZ-OD1 3.06Å; K1082-D1413 PolarHBondContact NZ-OD1 3.22Å; Q1283-D1413 PolarHBondContact NE2-OD2 3.04Å; F1290-D1413 HydrophobicContact CE2-CB 4.37Å; S1409-D1413 WeakPolarHBondContact O-CB 3.2Å; S1409-D1413 PolarHBondContact O-N 2.91Å; L1410-D1413 PolarHBondContact O-N 3.49Å; D1413-L1417 WeakPolarHBondContact O-CB 3.43Å; D1413-L1417 PolarHBondContact O-N 3.47Å |
| 1414 | Y | 87.6 | Confident | 79.6 | Confident | 3 Ų | 3 | 15.3 Ų | 15.3 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.7 | -45.4 | 173.6 | -170.4 | -105.6 | 0 | 0 | 0 | 112.2 | V1332 A1335 L1381 F1384 A1385 F1388 L1410 T1411 N1412 L1417 L1418 | V1332-Y1414 HydrophobicContact CG2-CD2 4.04Å; V1332-Y1414 HydrophobicContact CG2-CG 4.41Å; A1335-Y1414 HydrophobicContact CB-CD2 4.37Å; A1335-Y1414 HydrophobicContact CB-CE2 3.75Å; L1381-Y1414 WeakPolarHBondContact CA-OH 3.45Å; L1381-Y1414 WeakPolarHBondContact CD2-OH 3.28Å; L1381-Y1414 PolarHBondContact O-OH 3.29Å; F1384-Y1414 HydrophobicContact CB-CE1 4.11Å; A1385-Y1414 HydrophobicContact CB-CD1 4.45Å; A1385-Y1414 HydrophobicContact CB-CE1 4.06Å; F1388-Y1414 HydrophobicContact CD2-CD1 4.33Å; F1388-Y1414 HydrophobicContact CD2-CG 4.3Å; F1388-Y1414 HydrophobicContact CE2-CD2 4.4Å; F1388-Y1414 HydrophobicContact CE2-CG 4.18Å; L1410-Y1414 PolarHBondContact O-N 3.38Å; T1411-Y1414 PolarHBondContact O-N 3.09Å; N1412-Y1414 VanDerWaalsContact C-N 3.3Å; N1412-Y1414 PolarHBondContact O-N 2.91Å; Y1414-L1417 WeakPolarHBondContact O-CB 3.4Å; Y1414-L1417 PolarHBondContact O-N 2.65Å; Y1414-L1418 HydrophobicContact CD1-CD1 4.18Å; Y1414-L1418 HydrophobicContact CE1-CD1 3.79Å; Y1414-L1418 HydrophobicContact CE1-CG 4.26Å; Y1414-L1418 PolarHBondContact O-N 3.42Å |
| 1415 | L | 86 | Confident | 80.3 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.3 | -40.2 | 178.1 | -66.4 | 172.3 | 0 | 0 | 0 | 111.4 | A1385 T1411 N1412 L1417 L1418 V1419 V1457 N1460 T1461 L1464 | A1385-L1415 HydrophobicContact CB-CD2 4.23Å; T1411-L1415 HydrophobicContact CG2-CD1 4.31Å; T1411-L1415 VanDerWaalsContact O-CG 3.3Å; T1411-L1415 WeakPolarHBondContact O-CG 3.35Å; T1411-L1415 PolarHBondContact O-N 3.42Å; N1412-L1415 PolarHBondContact O-N 2.96Å; L1415-L1417 PolarHBondContact O-N 3.32Å; L1415-L1418 CarbonylContact O-C 3.37Å; L1415-L1418 PolarHBondContact O-N 3.49Å; L1415-L1418 VanDerWaalsContact O-N 3.15Å; L1415-V1419 VanDerWaalsContact O-CG2 3.31Å; L1415-V1419 WeakPolarHBondContact O-CG2 3.31Å; L1415-V1419 PolarHBondContact O-N 2.94Å; L1415-V1457 HydrophobicContact CD1-CG1 3.78Å; L1415-N1460 HydrophobicContact CB-CB 3.94Å; L1415-N1460 HydrophobicContact CD1-CB 4.23Å; L1415-T1461 HydrophobicContact CD1-CG2 3.78Å; L1415-T1461 HydrophobicContact CD2-CG2 4.29Å; L1415-L1464 HydrophobicContact CB-CD1 4.35Å; L1415-L1464 HydrophobicContact CD2-CD1 3.83Å |
| 1416 | E | 84.9 | Confident | 81 | Confident | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.7 | -38.9 | 172.1 | -82.5 | -176.8 | -165.5 | 0 | 0 | 111.9 | Y1075 L1079 K1082 M1083 N1412 V1419 W1420 | Y1075-E1416 WeakPolarHBondContact OH-CG 3.43Å; L1079-E1416 HydrophobicContact CD1-CB 3.86Å; L1079-E1416 HydrophobicContact CD1-CG 4.08Å; K1082-E1416 IonicContact NZ-OE2 3.99Å; K1082-E1416 PolarHBondContact NZ-OE2 2.94Å; M1083-E1416 HydrophobicContact CE-CB 4.4Å; N1412-E1416 PolarHBondContact ND2-OE1 2.85Å; N1412-E1416 WeakPolarHBondContact O-CB 3.4Å; N1412-E1416 WeakPolarHBondContact O-CG 3.41Å; N1412-E1416 PolarHBondContact O-N 2.99Å; E1416-V1419 PolarHBondContact O-N 2.81Å; E1416-W1420 PolarHBondContact O-N 3.1Å |
| 1417 | L | 86.1 | Confident | 81.6 | Confident | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.4 | -172.3 | 134.4 | 0 | 0 | 0 | 112 | M1083 A1335 R1336 L1339 D1413 Y1414 L1415 W1420 V1421 | M1083-L1417 HydrophobicContact CE-CB 4.36Å; A1335-L1417 HydrophobicContact CB-CD2 4.48Å; R1336-L1417 HydrophobicContact CB-CD1 3.83Å; R1336-L1417 HydrophobicContact CG-CD1 4.01Å; L1339-L1417 HydrophobicContact CB-CD2 4.01Å; L1339-L1417 HydrophobicContact CD1-CD2 3.27Å; L1339-L1417 HydrophobicContact CG-CD2 4.21Å; D1413-L1417 WeakPolarHBondContact O-CB 3.43Å; D1413-L1417 PolarHBondContact O-N 3.47Å; Y1414-L1417 WeakPolarHBondContact O-CB 3.4Å; Y1414-L1417 PolarHBondContact O-N 2.65Å; L1415-L1417 PolarHBondContact O-N 3.32Å; L1417-W1420 WeakPolarHBondContact O-CB 3.01Å; L1417-W1420 PolarHBondContact O-N 3.25Å; L1417-V1421 WeakPolarHBondContact O-CG2 3.33Å; L1417-V1421 PolarHBondContact O-N 3.49Å |
| 1418 | L | 87 | Confident | 82.1 | Confident | 9 Ų | 9 | 21 Ų | 21 | 5% | 0.047 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 171.5 | -65.8 | 179.5 | 0 | 0 | 0 | 112 | L1381 A1385 Y1414 L1415 W1420 V1421 T1422 L1464 | L1381-L1418 HydrophobicContact CB-CD2 4.28Å; L1381-L1418 HydrophobicContact CD1-CD2 4.36Å; A1385-L1418 HydrophobicContact CB-CD1 4.06Å; Y1414-L1418 HydrophobicContact CD1-CD1 4.18Å; Y1414-L1418 HydrophobicContact CE1-CD1 3.79Å; Y1414-L1418 HydrophobicContact CE1-CG 4.26Å; Y1414-L1418 PolarHBondContact O-N 3.42Å; L1415-L1418 CarbonylContact O-C 3.37Å; L1415-L1418 PolarHBondContact O-N 3.49Å; L1415-L1418 VanDerWaalsContact O-N 3.15Å; L1418-W1420 VanDerWaalsContact C-N 3.28Å; L1418-W1420 PolarHBondContact O-N 3.16Å; L1418-V1421 WeakPolarHBondContact O-CB 3.38Å; L1418-V1421 PolarHBondContact O-N 3.32Å; L1418-V1421 VanDerWaalsContact O-N 3.17Å; L1418-T1422 PolarHBondContact O-N 3.03Å; L1418-L1464 HydrophobicContact CB-CD1 3.95Å; L1418-L1464 HydrophobicContact CB-CD2 4.01Å; L1418-L1464 HydrophobicContact CD1-CD1 4.37Å |
| 1419 | V | 85 | Confident | 82.6 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 175 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | Y1075 L1079 L1415 E1416 V1421 T1422 Q1423 Y1463 L1464 | Y1075-V1419 HydrophobicContact CE1-CG1 4.36Å; L1079-V1419 HydrophobicContact CD2-CB 3.88Å; L1079-V1419 HydrophobicContact CD2-CG1 3.44Å; L1079-V1419 VanDerWaalsContact CD2-CG1 3.44Å; L1415-V1419 VanDerWaalsContact O-CG2 3.31Å; L1415-V1419 WeakPolarHBondContact O-CG2 3.31Å; L1415-V1419 PolarHBondContact O-N 2.94Å; E1416-V1419 PolarHBondContact O-N 2.81Å; V1419-V1421 PolarHBondContact O-N 3.31Å; V1419-T1422 PolarHBondContact O-N 3.47Å; V1419-T1422 PolarHBondContact O-OG1 3.43Å; V1419-Q1423 VanDerWaalsContact CG1-NE2 3.28Å; V1419-Q1423 PolarHBondContact O-N 3.23Å; V1419-Y1463 HydrophobicContact CG1-CD1 3.88Å; V1419-Y1463 HydrophobicContact CG1-CE1 3.6Å; V1419-Y1463 HydrophobicContact CG2-CD1 3.9Å; V1419-Y1463 HydrophobicContact CG2-CE1 4.41Å; V1419-L1464 HydrophobicContact CB-CD2 4.38Å; V1419-L1464 HydrophobicContact CG2-CD1 4.18Å; V1419-L1464 HydrophobicContact CG2-CD2 3.71Å; V1419-L1464 HydrophobicContact CG2-CG 3.66Å |
| 1420 | W | 84.5 | Confident | 83.1 | Confident | 13 Ų | 13 | 23.5 Ų | 23.5 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 174.8 | 174 | 82.9 | 0 | 0 | 0 | 112.9 | L1079 M1083 L1339 L1340 E1416 L1417 L1418 T1422 Q1423 S1424 H1427 | L1079-W1420 HydrophobicContact CD2-CB 4.4Å; M1083-W1420 HydrophobicContact CB-CD2 4.39Å; M1083-W1420 HydrophobicContact CB-CG 3.93Å; M1083-W1420 HydrophobicContact CE-CB 4.32Å; M1083-W1420 HydrophobicContact CG-CB 3.98Å; M1083-W1420 HydrophobicContact CG-CD2 4.42Å; M1083-W1420 HydrophobicContact CG-CG 3.69Å; L1339-W1420 HydrophobicContact CB-CZ3 4.42Å; L1339-W1420 WeakPolarHBondContact O-CH2 3.3Å; L1339-W1420 WeakPolarHBondContact O-CZ3 3.28Å; L1340-W1420 HydrophobicContact CD1-CD2 4.33Å; L1340-W1420 HydrophobicContact CD1-CE3 4.4Å; L1340-W1420 HydrophobicContact CD1-CH2 3.7Å; L1340-W1420 HydrophobicContact CD1-CZ2 3.59Å; L1340-W1420 HydrophobicContact CD1-CZ3 4.12Å; E1416-W1420 PolarHBondContact O-N 3.1Å; L1417-W1420 WeakPolarHBondContact O-CB 3.01Å; L1417-W1420 PolarHBondContact O-N 3.25Å; L1418-W1420 VanDerWaalsContact C-N 3.28Å; L1418-W1420 PolarHBondContact O-N 3.16Å; W1420-T1422 PolarHBondContact O-N 3.4Å; W1420-Q1423 PolarHBondContact O-N 3.34Å; W1420-S1424 WeakPolarHBondContact O-CB 3.44Å; W1420-S1424 PolarHBondContact O-N 3.21Å; W1420-S1424 PolarHBondContact O-OG 3.45Å; W1420-H1427 AromaticContact CH2-NE2 3.89Å; W1420-H1427 AromaticContact CZ3-CD2 3.96Å; W1420-H1427 AromaticContact CZ3-NE2 3.72Å |
| 1421 | V | 84.6 | Confident | 83.2 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.3 | -39.9 | 172.8 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | L1339 L1417 L1418 V1419 Q1423 H1427 L1434 | L1339-V1421 HydrophobicContact CB-CG2 4.31Å; L1339-V1421 HydrophobicContact CD1-CG2 3.98Å; L1339-V1421 HydrophobicContact CD2-CG2 4.12Å; L1339-V1421 HydrophobicContact CG-CG2 4.36Å; L1417-V1421 WeakPolarHBondContact O-CG2 3.33Å; L1417-V1421 PolarHBondContact O-N 3.49Å; L1418-V1421 WeakPolarHBondContact O-CB 3.38Å; L1418-V1421 PolarHBondContact O-N 3.32Å; L1418-V1421 VanDerWaalsContact O-N 3.17Å; V1419-V1421 PolarHBondContact O-N 3.31Å; V1421-Q1423 VanDerWaalsContact C-N 3.31Å; V1421-Q1423 PolarHBondContact O-N 3.3Å; V1421-H1427 HydrophobicContact CG1-CB 4.02Å; V1421-L1434 HydrophobicContact CG1-CD1 4.43Å |
| 1422 | T | 81.2 | Confident | 83.2 | Confident | 24 Ų | 24 | 31.6 Ų | 31.6 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.8 | -21.4 | 176.7 | 73.2 | 0 | 0 | 0 | 0 | 114.6 | L1418 V1419 W1420 L1431 L1464 V1467 L1468 | L1418-T1422 PolarHBondContact O-N 3.03Å; V1419-T1422 PolarHBondContact O-N 3.47Å; V1419-T1422 PolarHBondContact O-OG1 3.43Å; W1420-T1422 PolarHBondContact O-N 3.4Å; T1422-L1431 HydrophobicContact CG2-CD1 3.89Å; T1422-L1464 HydrophobicContact CG2-CD2 4.1Å; T1422-V1467 HydrophobicContact CG2-CG1 4.03Å; T1422-L1468 HydrophobicContact CG2-CD2 3.92Å; T1422-L1468 HydrophobicContact CG2-CG 4.47Å |
| 1423 | Q | 81 | Confident | 83.2 | Confident | 45 Ų | 45 | 32.5 Ų | 32.5 | 21% | 0.21 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -105.7 | -26 | -173.3 | -66.7 | 175.1 | 15.3 | 0 | 0 | 114.1 | V1419 W1420 V1421 G1425 Y1463 | V1419-Q1423 VanDerWaalsContact CG1-NE2 3.28Å; V1419-Q1423 PolarHBondContact O-N 3.23Å; W1420-Q1423 PolarHBondContact O-N 3.34Å; V1421-Q1423 VanDerWaalsContact C-N 3.31Å; V1421-Q1423 PolarHBondContact O-N 3.3Å; Q1423-G1425 PolarHBondContact O-N 3.13Å; Q1423-Y1463 PolarHBondContact NE2-OH 3.02Å |
| 1424 | S | 78.3 | Confident | 83.1 | Confident | 31 Ų | 31 | 31.8 Ų | 31.8 | 22% | 0.217 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72 | -25.2 | -168.7 | 62.6 | 0 | 0 | 0 | 0 | 115 | W1420 N1426 | W1420-S1424 WeakPolarHBondContact O-CB 3.44Å; W1420-S1424 PolarHBondContact O-N 3.21Å; W1420-S1424 PolarHBondContact O-OG 3.45Å; S1424-N1426 PolarHBondContact O-N 3.11Å; S1424-N1426 PolarHBondContact OG-N 2.84Å |
| 1425 | G | 75.2 | Confident | 82.6 | Confident | 66 Ų | 66 | 32.8 Ų | 32.8 | 68% | 0.68 | 19% | 0.189 | S | C | * | . | S | Bend | trans | 70.3 | 0.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q1423 | Q1423-G1425 PolarHBondContact O-N 3.13Š|
| 1426 | N | 79.9 | Confident | 82 | Confident | 105 Ų | 105 | 36.4 Ų | 36.4 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -87.9 | -15.1 | -175.5 | -70.5 | -21.4 | 0 | 0 | 0 | 114.3 | S1424 | S1424-N1426 PolarHBondContact O-N 3.11Å; S1424-N1426 PolarHBondContact OG-N 2.84Å |
| 1427 | H | 84.1 | Confident | 81.3 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | trans | -126 | 55.4 | -175.5 | -59 | -79.1 | 0 | 0 | 0 | 113.2 | L1339 E1344 W1420 V1421 K1429 I1430 L1431 | L1339-H1427 PolarHBondContact O-CE1 2.98Å; L1339-H1427 VanDerWaalsContact O-CE1 3.28Å; L1339-H1427 PolarHBondContact O-NE2 2.98Å; E1344-H1427 VanDerWaalsContact CD-CA 3.43Å; E1344-H1427 VanDerWaalsContact OE1-CA 3.32Å; E1344-H1427 WeakPolarHBondContact OE1-CA 3.15Å; W1420-H1427 AromaticContact CH2-NE2 3.89Å; W1420-H1427 AromaticContact CZ3-CD2 3.96Å; W1420-H1427 AromaticContact CZ3-NE2 3.72Å; V1421-H1427 HydrophobicContact CG1-CB 4.02Å; H1427-K1429 PolarHBondContact O-N 3.27Å; H1427-I1430 HydrophobicContact CB-CB 4.45Å; H1427-I1430 HydrophobicContact CB-CD1 4.5Å; H1427-L1431 VanDerWaalsContact O-CB 3.28Å; H1427-L1431 WeakPolarHBondContact O-CB 3.45Å; H1427-L1431 PolarHBondContact O-N 3.24Å; H1427-L1431 VanDerWaalsContact O-N 3.09Å | ||
| 1428 | P | 83.4 | Confident | 80.3 | Confident | 78 Ų | 78 | 38.4 Ų | 38.4 | 51% | 0.506 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.6 | -37.6 | -175.7 | 24 | -36.1 | 0 | 0 | 0 | 114.6 | E1344 E1432 | E1344-P1428 WeakPolarHBondContact OE2-CD 3.4Å; E1344-P1428 WeakPolarHBondContact OE2-CG 3.03Å; P1428-E1432 PolarHBondContact O-N 3.41Å |
| 1429 | K | 85.4 | Confident | 78.8 | Confident | 80 Ų | 80 | 42.5 Ų | 42.5 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73.8 | -42.2 | -175.6 | -66.4 | 171.6 | -177.8 | 165.9 | 0 | 112.4 | E1344 D1345 L1348 E1374 H1427 L1431 E1432 Q1433 | E1344-K1429 WeakPolarHBondContact OE1-CA 3.45Å; E1344-K1429 WeakPolarHBondContact OE1-CB 3.5Å; E1344-K1429 PolarHBondContact OE1-N 3.15Å; E1344-K1429 PolarHBondContact OE2-N 3.1Å; D1345-K1429 IonicContact OD1-NZ 2.8Å; D1345-K1429 PolarHBondContact OD1-NZ 3.41Å; L1348-K1429 HydrophobicContact CD1-CB 3.92Å; L1348-K1429 HydrophobicContact CD1-CD 3.65Å; L1348-K1429 HydrophobicContact CD1-CG 4.46Å; E1374-K1429 WeakPolarHBondContact OE2-CB 3.3Å; H1427-K1429 PolarHBondContact O-N 3.27Å; K1429-L1431 VanDerWaalsContact C-N 3.34Å; K1429-E1432 PolarHBondContact O-N 3.49Å; K1429-Q1433 WeakPolarHBondContact O-CG 3.23Å; K1429-Q1433 PolarHBondContact O-N 2.94Å |
| 1430 | I | 84.2 | Confident | 77.2 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 175.3 | -64.5 | 166.1 | 0 | 0 | 0 | 109.5 | L1339 E1344 L1348 L1377 L1381 H1427 E1432 Q1433 L1434 | L1339-I1430 HydrophobicContact CD2-CD1 4.44Å; E1344-I1430 HydrophobicContact CG-CD1 3.95Å; E1344-I1430 HydrophobicContact CG-CG1 4.26Å; E1344-I1430 WeakPolarHBondContact OE1-CG1 3.41Å; E1344-I1430 PolarHBondContact OE1-N 2.63Å; L1348-I1430 HydrophobicContact CD2-CD1 4.46Å; L1348-I1430 HydrophobicContact CD2-CG1 4.12Å; L1377-I1430 HydrophobicContact CD2-CD1 3.65Å; L1377-I1430 HydrophobicContact CD2-CG1 4.04Å; L1377-I1430 HydrophobicContact CD2-CG2 4.37Å; L1381-I1430 HydrophobicContact CD1-CG2 4.31Å; H1427-I1430 HydrophobicContact CB-CB 4.45Å; H1427-I1430 HydrophobicContact CB-CD1 4.5Å; I1430-E1432 PolarHBondContact O-N 3.09Å; I1430-Q1433 PolarHBondContact O-N 2.99Å; I1430-L1434 HydrophobicContact CG2-CD1 3.94Å; I1430-L1434 HydrophobicContact CG2-CG 4.21Å; I1430-L1434 WeakPolarHBondContact O-CB 3.49Å; I1430-L1434 WeakPolarHBondContact O-CG 3.25Å; I1430-L1434 PolarHBondContact O-N 3.07Å |
| 1431 | L | 83 | Confident | 75.9 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 176.9 | -179 | 62.8 | 0 | 0 | 0 | 112.1 | T1422 H1427 K1429 Q1433 L1434 S1435 L1468 | T1422-L1431 HydrophobicContact CG2-CD1 3.89Å; H1427-L1431 VanDerWaalsContact O-CB 3.28Å; H1427-L1431 WeakPolarHBondContact O-CB 3.45Å; H1427-L1431 PolarHBondContact O-N 3.24Å; H1427-L1431 VanDerWaalsContact O-N 3.09Å; K1429-L1431 VanDerWaalsContact C-N 3.34Å; L1431-Q1433 VanDerWaalsContact C-N 3.32Å; L1431-Q1433 PolarHBondContact O-N 2.87Å; L1431-L1434 PolarHBondContact O-N 3.31Å; L1431-S1435 PolarHBondContact O-N 3.14Å; L1431-S1435 VanDerWaalsContact O-N 3.14Å; L1431-L1468 HydrophobicContact CD1-CD2 3.68Å |
| 1432 | E | 81.7 | Confident | 74.7 | Confident | 120 Ų | 120 | 54.7 Ų | 54.7 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.1 | -46.5 | 175.7 | -169.1 | -179.8 | 172.6 | 0 | 0 | 110.6 | P1428 K1429 I1430 S1435 V1436 | P1428-E1432 PolarHBondContact O-N 3.41Å; K1429-E1432 PolarHBondContact O-N 3.49Å; I1430-E1432 PolarHBondContact O-N 3.09Å; E1432-S1435 PolarHBondContact O-N 2.85Å; E1432-S1435 PolarHBondContact O-OG 3.19Å; E1432-V1436 PolarHBondContact O-N 3.33Å |
| 1433 | Q | 82.5 | Confident | 74 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.7 | -32.4 | 179.3 | -63.7 | -60.4 | -29.7 | 0 | 0 | 114.3 | E1374 H1375 A1378 K1429 I1430 L1431 S1435 V1436 E1437 | E1374-Q1433 HydrophobicContact CB-CG 3.78Å; E1374-Q1433 HydrophobicContact CG-CG 3.66Å; E1374-Q1433 PolarHBondContact OE1-NE2 2.98Å; H1375-Q1433 HydrophobicContact CB-CG 4.26Å; H1375-Q1433 PolarHBondContact ND1-OE1 3.08Å; A1378-Q1433 HydrophobicContact CB-CB 3.81Å; K1429-Q1433 WeakPolarHBondContact O-CG 3.23Å; K1429-Q1433 PolarHBondContact O-N 2.94Å; I1430-Q1433 PolarHBondContact O-N 2.99Å; L1431-Q1433 VanDerWaalsContact C-N 3.32Å; L1431-Q1433 PolarHBondContact O-N 2.87Å; Q1433-S1435 VanDerWaalsContact C-N 3.27Å; Q1433-S1435 PolarHBondContact O-N 2.93Å; Q1433-V1436 PolarHBondContact O-N 3.08Å; Q1433-E1437 PolarHBondContact O-N 3.48Å |
| 1434 | L | 79.5 | Confident | 73 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 173 | -78.2 | 170.3 | 0 | 0 | 0 | 111.5 | A1378 L1382 V1421 I1430 L1431 V1436 M1438 L1468 | A1378-L1434 HydrophobicContact CB-CD2 3.8Å; A1378-L1434 HydrophobicContact CB-CG 3.85Å; L1382-L1434 HydrophobicContact CD1-CD2 3.92Å; L1382-L1434 HydrophobicContact CD2-CD2 4.08Å; L1382-L1434 HydrophobicContact CG-CD2 3.67Å; V1421-L1434 HydrophobicContact CG1-CD1 4.43Å; I1430-L1434 HydrophobicContact CG2-CD1 3.94Å; I1430-L1434 HydrophobicContact CG2-CG 4.21Å; I1430-L1434 WeakPolarHBondContact O-CB 3.49Å; I1430-L1434 WeakPolarHBondContact O-CG 3.25Å; I1430-L1434 PolarHBondContact O-N 3.07Å; L1431-L1434 PolarHBondContact O-N 3.31Å; L1434-V1436 VanDerWaalsContact C-N 3.28Å; L1434-V1436 PolarHBondContact O-N 3.13Å; L1434-M1438 WeakPolarHBondContact O-CB 3.48Å; L1434-M1438 VanDerWaalsContact O-CG 3.27Å; L1434-M1438 WeakPolarHBondContact O-CG 3.5Å; L1434-M1438 PolarHBondContact O-N 2.92Å; L1434-L1468 HydrophobicContact CB-CD2 3.99Å |
| 1435 | S | 77.5 | Confident | 72.3 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.5 | -33.2 | 176.5 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | L1431 E1432 Q1433 L1468 | L1431-S1435 PolarHBondContact O-N 3.14Å; L1431-S1435 VanDerWaalsContact O-N 3.14Å; E1432-S1435 PolarHBondContact O-N 2.85Å; E1432-S1435 PolarHBondContact O-OG 3.19Å; Q1433-S1435 VanDerWaalsContact C-N 3.27Å; Q1433-S1435 PolarHBondContact O-N 2.93Å; S1435-L1468 WeakPolarHBondContact CA-O 3.38Å; S1435-L1468 WeakPolarHBondContact CB-O 3.5Å |
| 1436 | V | 74 | Confident | 71.9 | Confident | 77 Ų | 77 | 51.6 Ų | 51.6 | 47% | 0.467 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72.9 | -43.3 | 179.1 | 177 | 0 | 0 | 0 | 0 | 111.6 | E1432 Q1433 L1434 | E1432-V1436 PolarHBondContact O-N 3.33Å; Q1433-V1436 PolarHBondContact O-N 3.08Å; L1434-V1436 VanDerWaalsContact C-N 3.28Å; L1434-V1436 PolarHBondContact O-N 3.13Å |
| 1437 | E | 70.2 | Confident | 71 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.4 | -30.6 | -178.2 | -82.3 | -76.4 | -177.1 | 0 | 0 | 113.8 | H1375 K1379 L1382 Q1433 L1439 C1440 | H1375-E1437 IonicContact CE1-OE1 3.71Å; H1375-E1437 PolarHBondContact CE1-OE1 2.9Å; H1375-E1437 IonicContact ND1-OE1 3.91Å; H1375-E1437 IonicContact NE2-OE1 2.69Å; H1375-E1437 PolarHBondContact NE2-OE1 3.42Å; H1375-E1437 VanDerWaalsContact NE2-OE1 3.08Å; K1379-E1437 HydrophobicContact CB-CG 4.41Å; L1382-E1437 HydrophobicContact CD1-CB 3.66Å; Q1433-E1437 PolarHBondContact O-N 3.48Å; E1437-L1439 PolarHBondContact O-N 3.41Å; E1437-C1440 WeakPolarHBondContact O-CB 3.39Å; E1437-C1440 PolarHBondContact O-N 3.4Å |
| 1438 | M | 63.9 | Low | 69.9 | Low | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -9.3 | 179.7 | -80 | -65.6 | -63.4 | 0 | 0 | 115.1 | L1382 L1434 C1440 L1443 T1465 L1468 | L1382-M1438 HydrophobicContact CD1-CG 3.95Å; L1382-M1438 HydrophobicContact CD1-SD 3.96Å; L1382-M1438 HydrophobicContact CD2-CG 4.19Å; L1382-M1438 HydrophobicContact CD2-SD 3.49Å; L1382-M1438 WeakPolarHBondContact CD2-SD 3.39Å; L1382-M1438 HydrophobicContact CG-SD 4.37Å; L1434-M1438 WeakPolarHBondContact O-CB 3.48Å; L1434-M1438 VanDerWaalsContact O-CG 3.27Å; L1434-M1438 WeakPolarHBondContact O-CG 3.5Å; L1434-M1438 PolarHBondContact O-N 2.92Å; M1438-C1440 PolarHBondContact O-N 2.79Å; M1438-L1443 HydrophobicContact CE-CB 4.26Å; M1438-L1443 HydrophobicContact CE-CD1 3.95Å; M1438-L1443 HydrophobicContact SD-CD1 3.69Å; M1438-T1465 HydrophobicContact CE-CG2 4.06Å; M1438-L1468 HydrophobicContact CB-CB 4.21Å; M1438-L1468 HydrophobicContact CG-CB 3.8Å; M1438-L1468 HydrophobicContact CG-CD1 3.7Å; M1438-L1468 HydrophobicContact CG-CG 4.39Å; M1438-L1468 HydrophobicContact SD-CD1 4.27Å |
| 1439 | L | 55.2 | Low | 68.9 | Low | 95 Ų | 95 | 50.9 Ų | 50.9 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -16.8 | 170.3 | -71.7 | 165.3 | 0 | 0 | 0 | 112.5 | E1437 L1474 | E1437-L1439 PolarHBondContact O-N 3.41Å; L1439-L1474 HydrophobicContact CD2-CD2 3.71Å |
| 1440 | C | 51.4 | Low | 67.9 | Low | 82 Ų | 82 | 47.1 Ų | 47.1 | 55% | 0.554 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -79.6 | 143 | 167.9 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | E1437 M1438 P1442 | E1437-C1440 WeakPolarHBondContact O-CB 3.39Å; E1437-C1440 PolarHBondContact O-N 3.4Å; M1438-C1440 PolarHBondContact O-N 2.79Å; C1440-P1442 WeakPolarHBondContact O-CD 3.39Å |
| 1441 | Q | 57.4 | Low | 66.5 | Low | 121 Ų | 121 | 48.1 Ų | 48.1 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -74 | -9.5 | -158.5 | -71.6 | 178.5 | -29.2 | 0 | 0 | 121 | L1443 V1444 | Q1441-L1443 PolarHBondContact O-N 2.86Å; Q1441-V1444 PolarHBondContact O-N 3.34Å |
| 1442 | P | 60.7 | Low | 65 | Low | 68 Ų | 68 | 49.6 Ų | 49.6 | 44% | 0.442 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.4 | -39.4 | -155.4 | 23.2 | -31.7 | 0 | 0 | 0 | 115.6 | C1440 V1444 I1446 | C1440-P1442 WeakPolarHBondContact O-CD 3.39Å; P1442-V1444 VanDerWaalsContact C-N 3.29Å; P1442-V1444 PolarHBondContact O-N 3.15Å; P1442-I1446 HydrophobicContact CB-CD1 4.36Å; P1442-I1446 VanDerWaalsContact O-CB 3.25Å; P1442-I1446 WeakPolarHBondContact O-CB 3.47Å; P1442-I1446 WeakPolarHBondContact O-CD1 3.36Å; P1442-I1446 WeakPolarHBondContact O-CG1 3.28Å; P1442-I1446 PolarHBondContact O-N 3.38Å; P1442-I1446 VanDerWaalsContact O-N 3.13Å |
| 1443 | L | 64.9 | Low | 63.8 | Low | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.1 | -22.8 | -174 | -78 | 171.9 | 0 | 0 | 0 | 114 | L1382 A1385 M1438 Q1441 S1447 T1461 | L1382-L1443 HydrophobicContact CD2-CD1 3.98Å; A1385-L1443 HydrophobicContact CB-CD1 4.48Å; A1385-L1443 HydrophobicContact CB-CD2 4.35Å; M1438-L1443 HydrophobicContact CE-CB 4.26Å; M1438-L1443 HydrophobicContact CE-CD1 3.95Å; M1438-L1443 HydrophobicContact SD-CD1 3.69Å; Q1441-L1443 PolarHBondContact O-N 2.86Å; L1443-S1447 VanDerWaalsContact O-CB 3.31Å; L1443-S1447 WeakPolarHBondContact O-CB 3.42Å; L1443-S1447 PolarHBondContact O-N 3.29Å; L1443-S1447 PolarHBondContact O-OG 2.9Å; L1443-T1461 HydrophobicContact CD2-CG2 4.49Å |
| 1444 | V | 60.4 | Low | 62.9 | Low | 24 Ų | 24 | 45.5 Ų | 45.5 | 15% | 0.145 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.9 | -50.3 | 179.4 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | Q1441 P1442 I1446 S1447 S1448 T1465 M1478 | Q1441-V1444 PolarHBondContact O-N 3.34Å; P1442-V1444 VanDerWaalsContact C-N 3.29Å; P1442-V1444 PolarHBondContact O-N 3.15Å; V1444-I1446 PolarHBondContact O-N 3.06Å; V1444-S1447 PolarHBondContact O-N 3.04Å; V1444-S1447 PolarHBondContact O-OG 3.36Å; V1444-S1448 PolarHBondContact O-N 3.49Å; V1444-T1465 HydrophobicContact CG2-CG2 3.71Å; V1444-M1478 HydrophobicContact CB-CE 4.02Å; V1444-M1478 HydrophobicContact CB-SD 4.42Å; V1444-M1478 HydrophobicContact CG1-CB 4.3Å; V1444-M1478 HydrophobicContact CG1-CE 3.57Å; V1444-M1478 HydrophobicContact CG1-CG 3.9Å; V1444-M1478 HydrophobicContact CG1-SD 4.07Å; V1444-M1478 HydrophobicContact CG2-CE 3.22Å; V1444-M1478 HydrophobicContact CG2-CG 4.47Å; V1444-M1478 HydrophobicContact CG2-SD 3.58Å; V1444-M1478 VanDerWaalsContact CG2-SD 3.58Å |
| 1445 | D | 64.1 | Low | 62.2 | Low | 61 Ų | 61 | 46.5 Ų | 46.5 | 33% | 0.326 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.4 | -34.2 | 177.9 | -65.5 | -23.2 | 0 | 0 | 0 | 109.9 | S1448 K1449 R1481 | D1445-S1448 PolarHBondContact O-OG 3.49Å; D1445-K1449 WeakPolarHBondContact O-CG 3.36Å; D1445-K1449 PolarHBondContact O-N 3.43Å; D1445-R1481 IonicContact OD1-NH1 2.9Å |
| 1446 | I | 66.3 | Low | 61.8 | Low | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 171.2 | -70 | 168.5 | 0 | 0 | 0 | 111.7 | C1389 L1390 I1393 P1442 V1444 K1449 I1450 | C1389-I1446 HydrophobicContact CB-CG2 3.47Å; C1389-I1446 VanDerWaalsContact CB-CG2 3.47Å; L1390-I1446 HydrophobicContact CD1-CD1 4.15Å; L1390-I1446 HydrophobicContact CD2-CD1 3.99Å; L1390-I1446 HydrophobicContact CD2-CG1 3.87Å; L1390-I1446 HydrophobicContact CG-CD1 3.74Å; L1390-I1446 HydrophobicContact CG-CG1 4.19Å; I1393-I1446 HydrophobicContact CD1-CG2 4.13Å; P1442-I1446 HydrophobicContact CB-CD1 4.36Å; P1442-I1446 VanDerWaalsContact O-CB 3.25Å; P1442-I1446 WeakPolarHBondContact O-CB 3.47Å; P1442-I1446 WeakPolarHBondContact O-CD1 3.36Å; P1442-I1446 WeakPolarHBondContact O-CG1 3.28Å; P1442-I1446 PolarHBondContact O-N 3.38Å; P1442-I1446 VanDerWaalsContact O-N 3.13Å; V1444-I1446 PolarHBondContact O-N 3.06Å; I1446-K1449 CarbonylContact O-C 3.18Å; I1446-K1449 WeakPolarHBondContact O-CB 3.23Å; I1446-K1449 PolarHBondContact O-N 2.71Å; I1446-I1450 HydrophobicContact CG2-CD1 3.5Å; I1446-I1450 HydrophobicContact CG2-CG1 4.18Å; I1446-I1450 WeakPolarHBondContact O-CG1 3.33Å; I1446-I1450 PolarHBondContact O-N 3.2Å |
| 1447 | S | 62 | Low | 61.9 | Low | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.8 | -36.6 | -179.9 | 70.7 | 0 | 0 | 0 | 0 | 112.5 | L1443 V1444 K1449 I1450 A1451 | L1443-S1447 VanDerWaalsContact O-CB 3.31Å; L1443-S1447 WeakPolarHBondContact O-CB 3.42Å; L1443-S1447 PolarHBondContact O-N 3.29Å; L1443-S1447 PolarHBondContact O-OG 2.9Å; V1444-S1447 PolarHBondContact O-N 3.04Å; V1444-S1447 PolarHBondContact O-OG 3.36Å; S1447-K1449 PolarHBondContact O-N 2.89Å; S1447-I1450 PolarHBondContact O-N 2.93Å; S1447-A1451 WeakPolarHBondContact O-CB 3.27Å; S1447-A1451 PolarHBondContact O-N 2.95Å |
| 1448 | S | 60.2 | Low | 62 | Low | 52 Ų | 52 | 40.4 Ų | 40.4 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.8 | -36.7 | 171.3 | 77.1 | 0 | 0 | 0 | 0 | 111.8 | V1444 D1445 | V1444-S1448 PolarHBondContact O-N 3.49Å; D1445-S1448 PolarHBondContact O-OG 3.49Å |
| 1449 | K | 62.2 | Low | 62.6 | Low | 117 Ų | 117 | 40 Ų | 40 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69 | -56.8 | 170.5 | -68.9 | 174.2 | -177.3 | 178.1 | 0 | 109.3 | R533 I1393 D1445 I1446 S1447 A1451 | R533-K1449 VanDerWaalsContact NH1-C 3.33Å; R533-K1449 PolarHBondContact NH1-O 3.17Å; R533-K1449 PolarHBondContact NH2-O 3.22Å; I1393-K1449 HydrophobicContact CD1-CB 4.1Å; D1445-K1449 WeakPolarHBondContact O-CG 3.36Å; D1445-K1449 PolarHBondContact O-N 3.43Å; I1446-K1449 CarbonylContact O-C 3.18Å; I1446-K1449 WeakPolarHBondContact O-CB 3.23Å; I1446-K1449 PolarHBondContact O-N 2.71Å; S1447-K1449 PolarHBondContact O-N 2.89Å; K1449-A1451 VanDerWaalsContact C-N 3.28Å; K1449-A1451 PolarHBondContact O-N 2.79Å; K1449-A1451 VanDerWaalsContact O-N 3.16Å |
| 1450 | I | 64.2 | Low | 63.8 | Low | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -26 | -171.2 | -66.2 | 174.5 | 0 | 0 | 0 | 114.5 | C1389 I1393 I1446 S1447 S1452 T1453 C1454 V1457 | C1389-I1450 HydrophobicContact CB-CD1 3.69Å; I1393-I1450 HydrophobicContact CD1-CD1 4.1Å; I1393-I1450 HydrophobicContact CD1-CG1 3.7Å; I1393-I1450 HydrophobicContact CG1-CD1 4.16Å; I1393-I1450 HydrophobicContact CG1-CG1 3.64Å; I1446-I1450 HydrophobicContact CG2-CD1 3.5Å; I1446-I1450 HydrophobicContact CG2-CG1 4.18Å; I1446-I1450 WeakPolarHBondContact O-CG1 3.33Å; I1446-I1450 PolarHBondContact O-N 3.2Å; S1447-I1450 PolarHBondContact O-N 2.93Å; I1450-S1452 PolarHBondContact O-N 3.3Å; I1450-T1453 PolarHBondContact O-N 3.3Å; I1450-T1453 PolarHBondContact O-OG1 3.4Å; I1450-T1453 VanDerWaalsContact O-OG1 3.06Å; I1450-C1454 HydrophobicContact CG2-CB 3.86Å; I1450-C1454 PolarHBondContact O-N 2.74Å; I1450-C1454 VanDerWaalsContact O-N 3.16Å; I1450-V1457 HydrophobicContact CD1-CG1 4.14Å; I1450-V1457 HydrophobicContact CG2-CB 4.14Å; I1450-V1457 HydrophobicContact CG2-CG1 4.06Å |
| 1451 | A | 55.1 | Low | 65.1 | Low | 23 Ų | 23 | 31.5 Ų | 31.5 | 19% | 0.19 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | -35 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1447 K1449 | S1447-A1451 WeakPolarHBondContact O-CB 3.27Å; S1447-A1451 PolarHBondContact O-N 2.95Å; K1449-A1451 VanDerWaalsContact C-N 3.28Å; K1449-A1451 PolarHBondContact O-N 2.79Å; K1449-A1451 VanDerWaalsContact O-N 3.16Å |
| 1452 | S | 52.6 | Low | 66 | Low | 82 Ų | 82 | 25.9 Ų | 25.9 | 57% | 0.573 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -13.3 | 179.3 | 61.4 | 0 | 0 | 0 | 0 | 114.9 | R533 I1450 | R533-S1452 VanDerWaalsContact CZ-OG 3.22Å; R533-S1452 PolarHBondContact NH2-OG 3.48Å; I1450-S1452 PolarHBondContact O-N 3.3Å |
| 1453 | T | 55.3 | Low | 67 | Low | 57 Ų | 57 | 22.7 Ų | 22.7 | 35% | 0.35 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -29.1 | -170.3 | 48.2 | 0 | 0 | 0 | 0 | 116 | R533 I1450 | R533-T1453 PolarHBondContact NH2-OG1 3.44Å; I1450-T1453 PolarHBondContact O-N 3.3Å; I1450-T1453 PolarHBondContact O-OG1 3.4Å; I1450-T1453 VanDerWaalsContact O-OG1 3.06Å |
| 1454 | C | 63.8 | Low | 67.8 | Low | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -144 | 95.7 | -178 | -78.6 | 0 | 0 | 0 | 0 | 110.9 | K1396 E1408 I1450 P1456 V1457 S1458 | K1396-C1454 PolarHBondContact NZ-SG 3.23Å; E1408-C1454 PolarHBondContact OE1-SG 3.3Å; E1408-C1454 PolarHBondContact OE2-SG 3.3Å; I1450-C1454 HydrophobicContact CG2-CB 3.86Å; I1450-C1454 PolarHBondContact O-N 2.74Å; I1450-C1454 VanDerWaalsContact O-N 3.16Å; C1454-P1456 VanDerWaalsContact C-CD 3.49Å; C1454-V1457 HydrophobicContact CB-CB 3.99Å; C1454-V1457 HydrophobicContact CB-CG2 4.15Å; C1454-S1458 VanDerWaalsContact O-CB 3.27Å; C1454-S1458 WeakPolarHBondContact O-CB 3.38Å; C1454-S1458 PolarHBondContact O-N 2.93Å | ||
| 1455 | A | 65 | Low | 68.6 | Low | 24 Ų | 24 | 21.4 Ų | 21.4 | 20% | 0.198 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -34.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L705 F1459 | L705-A1455 HydrophobicContact CD1-CB 4.23Å; A1455-F1459 VanDerWaalsContact O-CB 3.23Å; A1455-F1459 WeakPolarHBondContact O-CB 3.5Å; A1455-F1459 PolarHBondContact O-N 2.97Å |
| 1456 | P | 68.5 | Low | 69.2 | Low | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.4 | -47.5 | 178.7 | -21.4 | 33.2 | 0 | 0 | 0 | 112.7 | Q708 Y709 C1454 S1458 F1459 N1460 | Q708-P1456 HydrophobicContact CB-CG 3.75Å; Y709-P1456 HydrophobicContact CD1-CB 4.34Å; Y709-P1456 HydrophobicContact CD2-CB 4.26Å; Y709-P1456 HydrophobicContact CD2-CG 4.45Å; Y709-P1456 HydrophobicContact CE1-CB 4.02Å; Y709-P1456 HydrophobicContact CE2-CB 3.92Å; Y709-P1456 HydrophobicContact CE2-CG 4.49Å; Y709-P1456 HydrophobicContact CG-CB 4.45Å; Y709-P1456 PolarHBondContact OH-O 3.36Å; C1454-P1456 VanDerWaalsContact C-CD 3.49Å; P1456-S1458 VanDerWaalsContact C-N 3.34Å; P1456-S1458 PolarHBondContact O-N 3.19Å; P1456-F1459 PolarHBondContact O-N 3.44Å; P1456-N1460 PolarHBondContact O-N 3.43Å |
| 1457 | V | 75.7 | Confident | 69.9 | Low | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | E1408 T1411 N1412 L1415 I1450 C1454 N1460 T1461 | E1408-V1457 HydrophobicContact CG-CG2 4.32Å; T1411-V1457 HydrophobicContact CG2-CG1 4.31Å; N1412-V1457 HydrophobicContact CB-CG2 4.36Å; L1415-V1457 HydrophobicContact CD1-CG1 3.78Å; I1450-V1457 HydrophobicContact CD1-CG1 4.14Å; I1450-V1457 HydrophobicContact CG2-CB 4.14Å; I1450-V1457 HydrophobicContact CG2-CG1 4.06Å; C1454-V1457 HydrophobicContact CB-CB 3.99Å; C1454-V1457 HydrophobicContact CB-CG2 4.15Å; V1457-N1460 PolarHBondContact O-N 3.45Å; V1457-T1461 HydrophobicContact CG1-CG2 4.37Å; V1457-T1461 WeakPolarHBondContact O-CB 3.45Å; V1457-T1461 VanDerWaalsContact O-CG2 3.3Å; V1457-T1461 WeakPolarHBondContact O-CG2 3.27Å; V1457-T1461 PolarHBondContact O-N 3.2Å; V1457-T1461 PolarHBondContact O-OG1 2.87Å |
| 1458 | S | 72.8 | Confident | 70.6 | Confident | 7 Ų | 7 | 19.2 Ų | 19.2 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 173.4 | -174 | 0 | 0 | 0 | 0 | 111.5 | C1454 P1456 T1461 L1462 | C1454-S1458 VanDerWaalsContact O-CB 3.27Å; C1454-S1458 WeakPolarHBondContact O-CB 3.38Å; C1454-S1458 PolarHBondContact O-N 2.93Å; P1456-S1458 VanDerWaalsContact C-N 3.34Å; P1456-S1458 PolarHBondContact O-N 3.19Å; S1458-T1461 WeakPolarHBondContact CA-OG1 3.34Å; S1458-T1461 PolarHBondContact O-OG1 2.98Å; S1458-L1462 VanDerWaalsContact O-CB 3.27Å; S1458-L1462 WeakPolarHBondContact O-CB 3.01Å; S1458-L1462 WeakPolarHBondContact O-CD1 3.45Å; S1458-L1462 WeakPolarHBondContact O-CG 3.49Å; S1458-L1462 PolarHBondContact O-N 3.11Å |
| 1459 | F | 77.2 | Confident | 71.4 | Confident | 5 Ų | 5 | 16.8 Ų | 16.8 | 2% | 0.022 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 177.9 | 178 | -83.9 | 0 | 0 | 0 | 111.4 | L705 Y709 F1071 V1072 Y1075 A1455 P1456 L1462 Y1463 I1491 L1495 | L705-F1459 HydrophobicContact CD1-CB 4.35Å; L705-F1459 HydrophobicContact CD1-CD2 4.11Å; L705-F1459 HydrophobicContact CD2-CB 4.36Å; L705-F1459 HydrophobicContact CD2-CD2 3.57Å; L705-F1459 HydrophobicContact CD2-CE2 3.97Å; L705-F1459 HydrophobicContact CD2-CG 4.01Å; L705-F1459 HydrophobicContact CG-CD2 4.48Å; Y709-F1459 HydrophobicContact CE2-CB 4.15Å; Y709-F1459 HydrophobicContact CE2-CD1 4.14Å; Y709-F1459 HydrophobicContact CE2-CG 4.16Å; Y709-F1459 AromaticContact CZ-CD1 3.92Å; Y709-F1459 WeakPolarHBondContact OH-CD1 3.43Å; F1071-F1459 HydrophobicContact CD1-CE2 4.15Å; F1071-F1459 HydrophobicContact CD1-CZ 4.13Å; F1071-F1459 HydrophobicContact CE1-CE1 4.38Å; F1071-F1459 AromaticContact CE1-CE2 3.79Å; F1071-F1459 HydrophobicContact CE1-CE2 3.79Å; F1071-F1459 AromaticContact CE1-CZ 3.71Å; F1071-F1459 HydrophobicContact CE1-CZ 3.71Å; V1072-F1459 HydrophobicContact CG2-CZ 4.4Å; Y1075-F1459 AromaticContact CD1-CE1 3.92Å; Y1075-F1459 HydrophobicContact CD1-CE1 3.92Å; Y1075-F1459 AromaticContact CE1-CE1 3.91Å; Y1075-F1459 HydrophobicContact CE1-CE1 3.91Å; Y1075-F1459 HydrophobicContact CG-CE1 4.45Å; A1455-F1459 VanDerWaalsContact O-CB 3.23Å; A1455-F1459 WeakPolarHBondContact O-CB 3.5Å; A1455-F1459 PolarHBondContact O-N 2.97Å; P1456-F1459 PolarHBondContact O-N 3.44Å; F1459-L1462 PolarHBondContact O-N 3.21Å; F1459-Y1463 HydrophobicContact CE1-CD2 4.2Å; F1459-Y1463 HydrophobicContact CZ-CD2 4.45Å; F1459-Y1463 WeakPolarHBondContact O-CB 3.1Å; F1459-Y1463 PolarHBondContact O-N 3.13Å; F1459-I1491 HydrophobicContact CD2-CG2 4.33Å; F1459-L1495 HydrophobicContact CD2-CD1 3.76Å; F1459-L1495 HydrophobicContact CE2-CD1 3.69Å; F1459-L1495 HydrophobicContact CE2-CD2 3.66Å; F1459-L1495 HydrophobicContact CE2-CG 4.11Å; F1459-L1495 HydrophobicContact CZ-CD1 4.45Å; F1459-L1495 HydrophobicContact CZ-CD2 3.85Å |
| 1460 | N | 80.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.9 | -37.9 | -178.6 | -83.8 | -29.4 | 0 | 0 | 0 | 112.9 | Y709 Y1075 N1412 L1415 P1456 V1457 Y1463 L1464 | Y709-N1460 VanDerWaalsContact OH-CG 3.28Å; Y709-N1460 PolarHBondContact OH-ND2 3.07Å; Y709-N1460 PolarHBondContact OH-OD1 3.11Å; Y1075-N1460 VanDerWaalsContact OH-CG 3.32Å; Y1075-N1460 PolarHBondContact OH-ND2 3.1Å; Y1075-N1460 PolarHBondContact OH-OD1 2.98Å; N1412-N1460 PolarHBondContact OD1-ND2 3.45Å; L1415-N1460 HydrophobicContact CB-CB 3.94Å; L1415-N1460 HydrophobicContact CD1-CB 4.23Å; P1456-N1460 PolarHBondContact O-N 3.43Å; V1457-N1460 PolarHBondContact O-N 3.45Å; N1460-Y1463 PolarHBondContact O-N 3.14Å; N1460-L1464 WeakPolarHBondContact O-CB 3.23Å; N1460-L1464 VanDerWaalsContact O-CG 3.29Å; N1460-L1464 WeakPolarHBondContact O-CG 3.3Å; N1460-L1464 PolarHBondContact O-N 3.21Å |
| 1461 | T | 79 | Confident | 72.4 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.4 | -43.2 | 172.7 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | L1415 L1443 V1457 S1458 T1465 | L1415-T1461 HydrophobicContact CD1-CG2 3.78Å; L1415-T1461 HydrophobicContact CD2-CG2 4.29Å; L1443-T1461 HydrophobicContact CD2-CG2 4.49Å; V1457-T1461 HydrophobicContact CG1-CG2 4.37Å; V1457-T1461 WeakPolarHBondContact O-CB 3.45Å; V1457-T1461 VanDerWaalsContact O-CG2 3.3Å; V1457-T1461 WeakPolarHBondContact O-CG2 3.27Å; V1457-T1461 PolarHBondContact O-N 3.2Å; V1457-T1461 PolarHBondContact O-OG1 2.87Å; S1458-T1461 WeakPolarHBondContact CA-OG1 3.34Å; S1458-T1461 PolarHBondContact O-OG1 2.98Å; T1461-T1465 WeakPolarHBondContact O-CB 3.39Å; T1461-T1465 PolarHBondContact O-N 3.18Å; T1461-T1465 PolarHBondContact O-OG1 3.15Å |
| 1462 | L | 75.9 | Confident | 73.3 | Confident | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 175.2 | -68.4 | 170.9 | 0 | 0 | 0 | 111.3 | S1458 F1459 T1465 I1466 F1492 | S1458-L1462 VanDerWaalsContact O-CB 3.27Å; S1458-L1462 WeakPolarHBondContact O-CB 3.01Å; S1458-L1462 WeakPolarHBondContact O-CD1 3.45Å; S1458-L1462 WeakPolarHBondContact O-CG 3.49Å; S1458-L1462 PolarHBondContact O-N 3.11Å; F1459-L1462 PolarHBondContact O-N 3.21Å; L1462-T1465 PolarHBondContact O-N 2.97Å; L1462-I1466 WeakPolarHBondContact O-CB 3.41Å; L1462-I1466 WeakPolarHBondContact O-CD1 3.06Å; L1462-I1466 VanDerWaalsContact O-CG1 3.23Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.31Å; L1462-I1466 PolarHBondContact O-N 3.33Å; L1462-F1492 HydrophobicContact CB-CD2 3.95Å; L1462-F1492 HydrophobicContact CB-CE2 4.4Å; L1462-F1492 HydrophobicContact CD1-CB 4.42Å; L1462-F1492 HydrophobicContact CD1-CD2 4.24Å; L1462-F1492 HydrophobicContact CD2-CD2 3.29Å; L1462-F1492 HydrophobicContact CD2-CE2 3.68Å; L1462-F1492 HydrophobicContact CD2-CG 4.23Å; L1462-F1492 HydrophobicContact CG-CD2 3.97Å |
| 1463 | Y | 81.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.7 | -52.7 | 175.3 | -175.6 | -76.8 | 0 | 0 | 0 | 111 | V1072 R1076 V1419 Q1423 F1459 N1460 T1465 I1466 V1467 L1499 | V1072-Y1463 HydrophobicContact CG1-CE2 4.33Å; R1076-Y1463 PolarHBondContact NE-OH 3.14Å; R1076-Y1463 PolarHBondContact NH2-OH 3.12Å; R1076-Y1463 VanDerWaalsContact NH2-OH 3.08Å; V1419-Y1463 HydrophobicContact CG1-CD1 3.88Å; V1419-Y1463 HydrophobicContact CG1-CE1 3.6Å; V1419-Y1463 HydrophobicContact CG2-CD1 3.9Å; V1419-Y1463 HydrophobicContact CG2-CE1 4.41Å; Q1423-Y1463 PolarHBondContact NE2-OH 3.02Å; F1459-Y1463 HydrophobicContact CE1-CD2 4.2Å; F1459-Y1463 HydrophobicContact CZ-CD2 4.45Å; F1459-Y1463 WeakPolarHBondContact O-CB 3.1Å; F1459-Y1463 PolarHBondContact O-N 3.13Å; N1460-Y1463 PolarHBondContact O-N 3.14Å; Y1463-T1465 VanDerWaalsContact C-N 3.3Å; Y1463-T1465 PolarHBondContact O-N 2.81Å; Y1463-I1466 PolarHBondContact O-N 3.32Å; Y1463-V1467 HydrophobicContact CD1-CB 4.47Å; Y1463-V1467 HydrophobicContact CD1-CG2 3.94Å; Y1463-V1467 HydrophobicContact CE1-CB 4.26Å; Y1463-V1467 HydrophobicContact CE1-CG2 3.59Å; Y1463-V1467 WeakPolarHBondContact O-CB 3.28Å; Y1463-V1467 VanDerWaalsContact O-CG2 3.28Å; Y1463-V1467 WeakPolarHBondContact O-CG2 3.21Å; Y1463-V1467 PolarHBondContact O-N 3.13Å; Y1463-L1499 HydrophobicContact CD2-CD1 3.54Å; Y1463-L1499 HydrophobicContact CD2-CD2 4.21Å; Y1463-L1499 HydrophobicContact CE2-CD1 3.7Å; Y1463-L1499 HydrophobicContact CE2-CD2 3.5Å; Y1463-L1499 VanDerWaalsContact CE2-CD2 3.5Å; Y1463-L1499 HydrophobicContact CE2-CG 4.27Å; Y1463-L1499 HydrophobicContact CG-CD1 4.14Å |
| 1464 | L | 81.2 | Confident | 75.1 | Confident | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 177.8 | -76.9 | 170.2 | 0 | 0 | 0 | 111.3 | L1415 L1418 V1419 T1422 N1460 V1467 L1468 | L1415-L1464 HydrophobicContact CB-CD1 4.35Å; L1415-L1464 HydrophobicContact CD2-CD1 3.83Å; L1418-L1464 HydrophobicContact CB-CD1 3.95Å; L1418-L1464 HydrophobicContact CB-CD2 4.01Å; L1418-L1464 HydrophobicContact CD1-CD1 4.37Å; V1419-L1464 HydrophobicContact CB-CD2 4.38Å; V1419-L1464 HydrophobicContact CG2-CD1 4.18Å; V1419-L1464 HydrophobicContact CG2-CD2 3.71Å; V1419-L1464 HydrophobicContact CG2-CG 3.66Å; T1422-L1464 HydrophobicContact CG2-CD2 4.1Å; N1460-L1464 WeakPolarHBondContact O-CB 3.23Å; N1460-L1464 VanDerWaalsContact O-CG 3.29Å; N1460-L1464 WeakPolarHBondContact O-CG 3.3Å; N1460-L1464 PolarHBondContact O-N 3.21Å; L1464-V1467 PolarHBondContact O-N 2.65Å; L1464-L1468 HydrophobicContact CB-CD1 4.39Å; L1464-L1468 HydrophobicContact CD2-CD1 4.38Å; L1464-L1468 VanDerWaalsContact O-CB 3.23Å; L1464-L1468 WeakPolarHBondContact O-CB 3.27Å; L1464-L1468 WeakPolarHBondContact O-CG 3.34Å; L1464-L1468 PolarHBondContact O-N 3.03Å |
| 1465 | T | 77.5 | Confident | 75.6 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.3 | -50.5 | 179.4 | -51.2 | 0 | 0 | 0 | 0 | 110.7 | M1438 V1444 T1461 L1462 Y1463 V1467 L1468 T1469 M1478 | M1438-T1465 HydrophobicContact CE-CG2 4.06Å; V1444-T1465 HydrophobicContact CG2-CG2 3.71Å; T1461-T1465 WeakPolarHBondContact O-CB 3.39Å; T1461-T1465 PolarHBondContact O-N 3.18Å; T1461-T1465 PolarHBondContact O-OG1 3.15Å; L1462-T1465 PolarHBondContact O-N 2.97Å; Y1463-T1465 VanDerWaalsContact C-N 3.3Å; Y1463-T1465 PolarHBondContact O-N 2.81Å; T1465-V1467 VanDerWaalsContact C-N 3.3Å; T1465-V1467 PolarHBondContact O-N 3.5Å; T1465-L1468 PolarHBondContact O-N 3.4Å; T1465-T1469 HydrophobicContact CG2-CG2 4.1Å; T1465-T1469 WeakPolarHBondContact O-CB 3.49Å; T1465-T1469 WeakPolarHBondContact O-CG2 3.47Å; T1465-T1469 PolarHBondContact O-N 3.4Å; T1465-T1469 PolarHBondContact O-OG1 3.18Å; T1465-M1478 HydrophobicContact CG2-CE 3.62Å; T1465-M1478 HydrophobicContact CG2-SD 4.36Å |
| 1466 | I | 77.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 177.8 | -67.1 | 163 | 0 | 0 | 0 | 111 | L1462 Y1463 L1475 F1492 L1495 L1496 L1499 R1500 | L1462-I1466 WeakPolarHBondContact O-CB 3.41Å; L1462-I1466 WeakPolarHBondContact O-CD1 3.06Å; L1462-I1466 VanDerWaalsContact O-CG1 3.23Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.31Å; L1462-I1466 PolarHBondContact O-N 3.33Å; Y1463-I1466 PolarHBondContact O-N 3.32Å; I1466-L1475 HydrophobicContact CG1-CD2 4.35Å; I1466-F1492 HydrophobicContact CD1-CD2 3.72Å; I1466-F1492 HydrophobicContact CD1-CE2 3.64Å; I1466-F1492 HydrophobicContact CD1-CG 4.5Å; I1466-F1492 HydrophobicContact CD1-CZ 4.3Å; I1466-F1492 HydrophobicContact CG1-CD2 4.15Å; I1466-F1492 HydrophobicContact CG1-CE2 3.52Å; I1466-F1492 HydrophobicContact CG1-CZ 3.92Å; I1466-L1495 HydrophobicContact CD1-CB 3.69Å; I1466-L1496 HydrophobicContact CD1-CB 4.25Å; I1466-L1496 HydrophobicContact CG1-CD1 4.46Å; I1466-L1496 HydrophobicContact CG2-CD1 4.08Å; I1466-L1499 HydrophobicContact CB-CD1 4.39Å; I1466-L1499 HydrophobicContact CG2-CB 3.88Å; I1466-L1499 HydrophobicContact CG2-CD1 4.09Å; I1466-R1500 HydrophobicContact CG2-CG 3.71Å; I1466-R1500 PolarHBondContact O-NE 3.06Å; I1466-R1500 PolarHBondContact O-NH2 3.13Å |
| 1467 | V | 80.3 | Confident | 76 | Confident | 22 Ų | 22 | 20 Ų | 20 | 13% | 0.133 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -78.5 | -22 | -175.3 | 173.9 | 0 | 0 | 0 | 0 | 114 | T1422 Y1463 L1464 T1465 L1499 R1500 | T1422-V1467 HydrophobicContact CG2-CG1 4.03Å; Y1463-V1467 HydrophobicContact CD1-CB 4.47Å; Y1463-V1467 HydrophobicContact CD1-CG2 3.94Å; Y1463-V1467 HydrophobicContact CE1-CB 4.26Å; Y1463-V1467 HydrophobicContact CE1-CG2 3.59Å; Y1463-V1467 WeakPolarHBondContact O-CB 3.28Å; Y1463-V1467 VanDerWaalsContact O-CG2 3.28Å; Y1463-V1467 WeakPolarHBondContact O-CG2 3.21Å; Y1463-V1467 PolarHBondContact O-N 3.13Å; L1464-V1467 PolarHBondContact O-N 2.65Å; T1465-V1467 VanDerWaalsContact C-N 3.3Å; T1465-V1467 PolarHBondContact O-N 3.5Å; V1467-L1499 HydrophobicContact CG2-CB 4.48Å; V1467-L1499 HydrophobicContact CG2-CD1 4.06Å; V1467-R1500 PolarHBondContact O-NH1 3.25Å; V1467-R1500 PolarHBondContact O-NH2 2.7Å |
| 1468 | L | 77.7 | Confident | 75.7 | Confident | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -96.6 | -28.4 | 178.9 | -65.8 | 173 | 0 | 0 | 0 | 112.8 | T1422 L1431 L1434 S1435 M1438 L1464 T1465 N1470 | T1422-L1468 HydrophobicContact CG2-CD2 3.92Å; T1422-L1468 HydrophobicContact CG2-CG 4.47Å; L1431-L1468 HydrophobicContact CD1-CD2 3.68Å; L1434-L1468 HydrophobicContact CB-CD2 3.99Å; S1435-L1468 WeakPolarHBondContact CA-O 3.38Å; S1435-L1468 WeakPolarHBondContact CB-O 3.5Å; M1438-L1468 HydrophobicContact CB-CB 4.21Å; M1438-L1468 HydrophobicContact CG-CB 3.8Å; M1438-L1468 HydrophobicContact CG-CD1 3.7Å; M1438-L1468 HydrophobicContact CG-CG 4.39Å; M1438-L1468 HydrophobicContact SD-CD1 4.27Å; L1464-L1468 HydrophobicContact CB-CD1 4.39Å; L1464-L1468 HydrophobicContact CD2-CD1 4.38Å; L1464-L1468 VanDerWaalsContact O-CB 3.23Å; L1464-L1468 WeakPolarHBondContact O-CB 3.27Å; L1464-L1468 WeakPolarHBondContact O-CG 3.34Å; L1464-L1468 PolarHBondContact O-N 3.03Å; T1465-L1468 PolarHBondContact O-N 3.4Å; L1468-N1470 PolarHBondContact O-N 3.3Å |
| 1469 | T | 75.9 | Confident | 75.5 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | trans | -78.4 | 123.7 | 175.4 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | T1465 L1475 R1500 | T1465-T1469 HydrophobicContact CG2-CG2 4.1Å; T1465-T1469 WeakPolarHBondContact O-CB 3.49Å; T1465-T1469 WeakPolarHBondContact O-CG2 3.47Å; T1465-T1469 PolarHBondContact O-N 3.4Å; T1465-T1469 PolarHBondContact O-OG1 3.18Å; T1469-L1475 VanDerWaalsContact OG1-CD1 3.31Å; T1469-L1475 WeakPolarHBondContact OG1-CD1 2.98Å; T1469-L1475 VanDerWaalsContact OG1-CD2 3.24Å; T1469-L1475 WeakPolarHBondContact OG1-CD2 3.16Å; T1469-L1475 WeakPolarHBondContact OG1-CG 3.36Å; T1469-R1500 PolarHBondContact O-NH2 3.47Å | ||
| 1470 | N | 73.9 | Confident | 75.1 | Confident | 108 Ų | 108 | 25.1 Ų | 25.1 | 58% | 0.578 | 13% | 0.133 | S | C | * | . | trans | -98.3 | 5.7 | 174 | -73.6 | -16.5 | 0 | 0 | 0 | 113 | L1468 R1500 M1503 | L1468-N1470 PolarHBondContact O-N 3.3Å; N1470-R1500 PolarHBondContact OD1-NH2 3.32Å; N1470-M1503 WeakPolarHBondContact O-CE 3.3Å | ||
| 1471 | D | 74.7 | Confident | 74.3 | Confident | 66 Ų | 66 | 32.5 Ų | 32.5 | 35% | 0.353 | 16% | 0.161 | S | C | . | . | trans | -108.4 | 111.7 | 175.3 | -169.8 | -15.2 | 0 | 0 | 0 | 110.6 | S1473 L1474 L1475 | D1471-S1473 VanDerWaalsContact C-N 3.33Å; D1471-S1473 VanDerWaalsContact CG-OG 3.27Å; D1471-S1473 WeakPolarHBondContact OD1-CB 3.42Å; D1471-S1473 PolarHBondContact OD1-N 3.4Å; D1471-S1473 PolarHBondContact OD1-OG 3.47Å; D1471-S1473 PolarHBondContact OD2-OG 3.2Å; D1471-L1474 HydrophobicContact CB-CB 4.3Å; D1471-L1475 PolarHBondContact O-N 3.38Å | ||
| 1472 | L | 73.3 | Confident | 73.4 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.1 | -24.6 | -178.2 | -177 | 66.4 | 0 | 0 | 0 | 112.3 | L1475 C1476 L1496 L1504 L1515 | L1472-L1475 PolarHBondContact O-N 3.36Å; L1472-C1476 PolarHBondContact O-N 3.43Å; L1472-C1476 VanDerWaalsContact O-N 3.09Å; L1472-C1476 PolarHBondContact O-SG 3.24Å; L1472-L1496 HydrophobicContact CD1-CD1 4.34Å; L1472-L1504 HydrophobicContact CD1-CD2 4.11Å; L1472-L1504 HydrophobicContact CD1-CG 4.44Å; L1472-L1504 HydrophobicContact CD2-CD2 3.44Å; L1472-L1504 VanDerWaalsContact CD2-CD2 3.44Å; L1472-L1504 HydrophobicContact CD2-CG 4.13Å; L1472-L1504 HydrophobicContact CG-CD2 4.38Å; L1472-L1515 HydrophobicContact CB-CD1 4.4Å; L1472-L1515 HydrophobicContact CB-CD2 3.71Å; L1472-L1515 HydrophobicContact CD2-CD2 3.37Å; L1472-L1515 HydrophobicContact CG-CD2 3.46Å; L1472-L1515 VanDerWaalsContact CG-CD2 3.46Å |
| 1473 | S | 72 | Confident | 72.4 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 35% | 0.35 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67 | -44.3 | 177.4 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | D1471 L1475 C1476 D1477 | D1471-S1473 VanDerWaalsContact C-N 3.33Å; D1471-S1473 VanDerWaalsContact CG-OG 3.27Å; D1471-S1473 WeakPolarHBondContact OD1-CB 3.42Å; D1471-S1473 PolarHBondContact OD1-N 3.4Å; D1471-S1473 PolarHBondContact OD1-OG 3.47Å; D1471-S1473 PolarHBondContact OD2-OG 3.2Å; S1473-L1475 PolarHBondContact O-N 3.29Å; S1473-C1476 PolarHBondContact O-N 3.36Å; S1473-D1477 PolarHBondContact O-N 3.49Å |
| 1474 | L | 73.7 | Confident | 70.7 | Confident | 59 Ų | 59 | 45.6 Ų | 45.6 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 175.5 | -173.5 | 68.2 | 0 | 0 | 0 | 111.3 | L1439 D1471 C1476 D1477 M1478 | L1439-L1474 HydrophobicContact CD2-CD2 3.71Å; D1471-L1474 HydrophobicContact CB-CB 4.3Å; L1474-C1476 VanDerWaalsContact C-N 3.31Å; L1474-C1476 PolarHBondContact O-N 3.09Å; L1474-D1477 PolarHBondContact O-N 2.84Å; L1474-M1478 HydrophobicContact CG-SD 4.33Å; L1474-M1478 WeakPolarHBondContact O-CG 2.74Å; L1474-M1478 PolarHBondContact O-N 3.4Å |
| 1475 | L | 73.4 | Confident | 69.1 | Low | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 176.1 | -74.6 | 171.4 | 0 | 0 | 0 | 112.7 | I1466 T1469 D1471 L1472 S1473 M1478 L1479 F1492 L1496 | I1466-L1475 HydrophobicContact CG1-CD2 4.35Å; T1469-L1475 VanDerWaalsContact OG1-CD1 3.31Å; T1469-L1475 WeakPolarHBondContact OG1-CD1 2.98Å; T1469-L1475 VanDerWaalsContact OG1-CD2 3.24Å; T1469-L1475 WeakPolarHBondContact OG1-CD2 3.16Å; T1469-L1475 WeakPolarHBondContact OG1-CG 3.36Å; D1471-L1475 PolarHBondContact O-N 3.38Å; L1472-L1475 PolarHBondContact O-N 3.36Å; S1473-L1475 PolarHBondContact O-N 3.29Å; L1475-M1478 HydrophobicContact CD2-CE 4.2Å; L1475-M1478 HydrophobicContact CD2-SD 4.34Å; L1475-M1478 PolarHBondContact O-N 3.11Å; L1475-L1479 WeakPolarHBondContact O-CB 3.33Å; L1475-L1479 PolarHBondContact O-N 3.13Å; L1475-F1492 HydrophobicContact CD2-CZ 3.95Å; L1475-L1496 HydrophobicContact CB-CD1 4.15Å; L1475-L1496 HydrophobicContact CD1-CD1 3.58Å; L1475-L1496 HydrophobicContact CG-CD1 4.32Å |
| 1476 | C | 72.1 | Confident | 67.9 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68 | -42.1 | 176.1 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | L1472 S1473 L1474 M1478 L1479 K1480 | L1472-C1476 PolarHBondContact O-N 3.43Å; L1472-C1476 VanDerWaalsContact O-N 3.09Å; L1472-C1476 PolarHBondContact O-SG 3.24Å; S1473-C1476 PolarHBondContact O-N 3.36Å; L1474-C1476 VanDerWaalsContact C-N 3.31Å; L1474-C1476 PolarHBondContact O-N 3.09Å; C1476-M1478 VanDerWaalsContact C-N 3.3Å; C1476-M1478 PolarHBondContact O-N 3.1Å; C1476-L1479 WeakPolarHBondContact O-CB 3.11Å; C1476-L1479 PolarHBondContact O-N 3.07Å; C1476-K1480 WeakPolarHBondContact O-CG 3.47Å; C1476-K1480 PolarHBondContact O-N 3.32Å |
| 1477 | D | 70.8 | Confident | 66.9 | Low | 81 Ų | 81 | 61 Ų | 61 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.2 | -33.9 | 176.6 | -79.6 | -10.2 | 0 | 0 | 0 | 112.2 | S1473 L1474 K1480 R1481 | S1473-D1477 PolarHBondContact O-N 3.49Å; L1474-D1477 PolarHBondContact O-N 2.84Å; D1477-K1480 PolarHBondContact O-N 3.04Å; D1477-K1480 IonicContact OD1-NZ 3.79Å; D1477-K1480 PolarHBondContact OD1-NZ 2.78Å; D1477-R1481 WeakPolarHBondContact O-CG 3.45Å; D1477-R1481 PolarHBondContact O-N 3.33Å |
| 1478 | M | 68.5 | Low | 65.7 | Low | 15 Ų | 15 | 60.4 Ų | 60.4 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 169.8 | -68.1 | 172.1 | 36.9 | 0 | 0 | 112.4 | V1444 T1465 L1474 L1475 C1476 K1480 R1481 L1482 F1492 | V1444-M1478 HydrophobicContact CB-CE 4.02Å; V1444-M1478 HydrophobicContact CB-SD 4.42Å; V1444-M1478 HydrophobicContact CG1-CB 4.3Å; V1444-M1478 HydrophobicContact CG1-CE 3.57Å; V1444-M1478 HydrophobicContact CG1-CG 3.9Å; V1444-M1478 HydrophobicContact CG1-SD 4.07Å; V1444-M1478 HydrophobicContact CG2-CE 3.22Å; V1444-M1478 HydrophobicContact CG2-CG 4.47Å; V1444-M1478 HydrophobicContact CG2-SD 3.58Å; V1444-M1478 VanDerWaalsContact CG2-SD 3.58Å; T1465-M1478 HydrophobicContact CG2-CE 3.62Å; T1465-M1478 HydrophobicContact CG2-SD 4.36Å; L1474-M1478 HydrophobicContact CG-SD 4.33Å; L1474-M1478 WeakPolarHBondContact O-CG 2.74Å; L1474-M1478 PolarHBondContact O-N 3.4Å; L1475-M1478 HydrophobicContact CD2-CE 4.2Å; L1475-M1478 HydrophobicContact CD2-SD 4.34Å; L1475-M1478 PolarHBondContact O-N 3.11Å; C1476-M1478 VanDerWaalsContact C-N 3.3Å; C1476-M1478 PolarHBondContact O-N 3.1Å; M1478-K1480 VanDerWaalsContact C-N 3.29Å; M1478-K1480 PolarHBondContact O-N 3.09Å; M1478-R1481 WeakPolarHBondContact O-CB 3.09Å; M1478-R1481 PolarHBondContact O-N 2.78Å; M1478-R1481 VanDerWaalsContact O-N 3.12Å; M1478-L1482 PolarHBondContact O-N 3.47Å; M1478-F1492 HydrophobicContact CE-CE2 4.36Å; M1478-F1492 HydrophobicContact CE-CZ 3.88Å |
| 1479 | L | 69.6 | Low | 65.2 | Low | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -35.3 | 177.2 | -165.9 | 146.4 | 0 | 0 | 0 | 111.7 | L1475 C1476 R1481 L1482 W1489 F1492 A1493 L1496 A1522 V1523 | L1475-L1479 WeakPolarHBondContact O-CB 3.33Å; L1475-L1479 PolarHBondContact O-N 3.13Å; C1476-L1479 WeakPolarHBondContact O-CB 3.11Å; C1476-L1479 PolarHBondContact O-N 3.07Å; L1479-R1481 VanDerWaalsContact C-N 3.34Å; L1479-L1482 PolarHBondContact O-N 3.49Å; L1479-W1489 HydrophobicContact CD2-CZ2 3.86Å; L1479-W1489 VanDerWaalsContact O-CD1 3.31Å; L1479-W1489 PolarHBondContact O-NE1 3.31Å; L1479-F1492 HydrophobicContact CB-CD1 4.04Å; L1479-F1492 HydrophobicContact CB-CE1 3.94Å; L1479-F1492 HydrophobicContact CD1-CD1 3.7Å; L1479-F1492 HydrophobicContact CD1-CE1 4.09Å; L1479-F1492 HydrophobicContact CG-CD1 3.94Å; L1479-F1492 HydrophobicContact CG-CE1 4.32Å; L1479-A1493 HydrophobicContact CD1-CB 4.04Å; L1479-L1496 HydrophobicContact CD1-CD2 3.86Å; L1479-A1522 HydrophobicContact CD2-CB 3.71Å; L1479-A1522 VanDerWaalsContact CD2-O 3.24Å; L1479-A1522 WeakPolarHBondContact CD2-O 3.36Å; L1479-V1523 HydrophobicContact CD1-CG2 3.65Å; L1479-V1523 HydrophobicContact CD2-CG2 3.56Å; L1479-V1523 HydrophobicContact CG-CG2 4.32Å |
| 1480 | K | 68.2 | Low | 64.6 | Low | 102 Ų | 102 | 63.1 Ų | 63.1 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.9 | -29.5 | 173.2 | -68.1 | 172.4 | -165.9 | 156.6 | 0 | 113.5 | C1476 D1477 M1478 L1482 A1522 | C1476-K1480 WeakPolarHBondContact O-CG 3.47Å; C1476-K1480 PolarHBondContact O-N 3.32Å; D1477-K1480 PolarHBondContact O-N 3.04Å; D1477-K1480 IonicContact OD1-NZ 3.79Å; D1477-K1480 PolarHBondContact OD1-NZ 2.78Å; M1478-K1480 VanDerWaalsContact C-N 3.29Å; M1478-K1480 PolarHBondContact O-N 3.09Å; K1480-L1482 VanDerWaalsContact C-N 3.34Å; K1480-A1522 HydrophobicContact CG-CB 3.95Å |
| 1481 | R | 64.2 | Low | 64.2 | Low | 156 Ų | 156 | 58.8 Ų | 58.8 | 59% | 0.589 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -73.9 | -26 | 177.3 | -71.1 | 179.7 | -173.8 | -169.4 | 2.5 | 112.6 | D1445 D1477 M1478 L1479 | D1445-R1481 IonicContact OD1-NH1 2.9Å; D1477-R1481 WeakPolarHBondContact O-CG 3.45Å; D1477-R1481 PolarHBondContact O-N 3.33Å; M1478-R1481 WeakPolarHBondContact O-CB 3.09Å; M1478-R1481 PolarHBondContact O-N 2.78Å; M1478-R1481 VanDerWaalsContact O-N 3.12Å; L1479-R1481 VanDerWaalsContact C-N 3.34Å |
| 1482 | L | 58.9 | Low | 64 | Low | 16 Ų | 16 | 55.7 Ų | 55.7 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -77.6 | 117.8 | 171.2 | -64.8 | 170.2 | 0 | 0 | 0 | 108 | M1478 L1479 K1480 Y1484 W1489 F1492 | M1478-L1482 PolarHBondContact O-N 3.47Å; L1479-L1482 PolarHBondContact O-N 3.49Å; K1480-L1482 VanDerWaalsContact C-N 3.34Å; L1482-Y1484 PolarHBondContact O-N 3.27Å; L1482-W1489 HydrophobicContact CB-CB 4.39Å; L1482-W1489 VanDerWaalsContact O-CD1 3.23Å; L1482-F1492 HydrophobicContact CD1-CB 4.09Å; L1482-F1492 HydrophobicContact CD1-CD1 4.1Å; L1482-F1492 HydrophobicContact CD1-CG 4Å |
| 1483 | E | 54.7 | Low | 63.8 | Low | 136 Ų | 136 | 55.3 Ų | 55.3 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | trans | -60 | 133.1 | -177.6 | -67 | -177 | 159.6 | 0 | 0 | 111.6 | K1485 Q1486 | E1483-K1485 PolarHBondContact O-N 3.3Å; E1483-Q1486 PolarHBondContact O-N 2.94Å; E1483-Q1486 VanDerWaalsContact O-N 3.08Å | ||
| 1484 | Y | 46.6 | Very low | 63.8 | Low | 125 Ų | 125 | 54.3 Ų | 54.3 | 49% | 0.49 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -10 | -173.7 | -171.5 | -92.4 | 0 | 0 | 0 | 115.4 | L1482 W1489 D1524 | L1482-Y1484 PolarHBondContact O-N 3.27Å; Y1484-W1489 HydrophobicContact CD2-CH2 4.03Å; Y1484-W1489 AromaticContact CD2-CZ2 3.79Å; Y1484-W1489 HydrophobicContact CD2-CZ2 3.79Å; Y1484-W1489 HydrophobicContact CD2-CZ3 4.46Å; Y1484-W1489 AromaticContact CE2-CH2 3.8Å; Y1484-W1489 HydrophobicContact CE2-CH2 3.8Å; Y1484-W1489 AromaticContact CE2-CZ2 3.94Å; Y1484-W1489 HydrophobicContact CE2-CZ2 3.94Å; Y1484-W1489 HydrophobicContact CE2-CZ3 4.36Å; Y1484-D1524 PolarHBondContact OH-OD2 2.89Å |
| 1485 | K | 48.6 | Very low | 63.8 | Low | 186 Ų | 186 | 51.5 Ų | 51.5 | 81% | 0.809 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 0.7 | -175.9 | -65.2 | -174.1 | 178.3 | -179.8 | 0 | 114.9 | E1483 | E1483-K1485 PolarHBondContact O-N 3.3Š|
| 1486 | Q | 52.7 | Low | 63.9 | Low | 81 Ų | 81 | 51.5 Ų | 51.5 | 38% | 0.379 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -92.7 | 141.8 | 178.6 | -65.4 | -169.7 | 0.9 | 0 | 0 | 111.5 | E1483 S1488 W1489 | E1483-Q1486 PolarHBondContact O-N 2.94Å; E1483-Q1486 VanDerWaalsContact O-N 3.08Å; Q1486-S1488 WeakPolarHBondContact CB-OG 3.29Å; Q1486-S1488 PolarHBondContact O-N 3.34Å; Q1486-W1489 WeakPolarHBondContact O-CB 3.49Å; Q1486-W1489 PolarHBondContact O-N 3.49Å |
| 1487 | V | 54.5 | Low | 64.1 | Low | 63 Ų | 63 | 51.6 Ų | 51.6 | 38% | 0.382 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -52.2 | -33.2 | 176 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | M620 M701 W1489 T1490 I1491 | M620-V1487 HydrophobicContact CE-CG2 3.92Å; M701-V1487 HydrophobicContact CG-CG1 3.66Å; V1487-W1489 PolarHBondContact O-N 3.07Å; V1487-T1490 PolarHBondContact O-N 3.29Å; V1487-T1490 PolarHBondContact O-OG1 3.42Å; V1487-I1491 HydrophobicContact CG1-CD1 3.87Å; V1487-I1491 HydrophobicContact CG1-CG1 4.44Å; V1487-I1491 WeakPolarHBondContact O-CG1 3.23Å; V1487-I1491 PolarHBondContact O-N 2.92Å |
| 1488 | S | 56.7 | Low | 64.3 | Low | 8 Ų | 8 | 48.8 Ų | 48.8 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -35.7 | 174.6 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | Q1486 I1491 F1492 | Q1486-S1488 WeakPolarHBondContact CB-OG 3.29Å; Q1486-S1488 PolarHBondContact O-N 3.34Å; S1488-I1491 PolarHBondContact O-N 2.91Å; S1488-F1492 WeakPolarHBondContact O-CB 3.36Å; S1488-F1492 PolarHBondContact O-N 2.77Å |
| 1489 | W | 65.6 | Low | 64.7 | Low | 14 Ų | 14 | 49 Ų | 49 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -46.1 | 177.1 | -178.8 | 93.6 | 0 | 0 | 0 | 110.7 | L1479 L1482 Y1484 Q1486 V1487 I1491 F1492 A1493 A1522 V1523 | L1479-W1489 HydrophobicContact CD2-CZ2 3.86Å; L1479-W1489 VanDerWaalsContact O-CD1 3.31Å; L1479-W1489 PolarHBondContact O-NE1 3.31Å; L1482-W1489 HydrophobicContact CB-CB 4.39Å; L1482-W1489 VanDerWaalsContact O-CD1 3.23Å; Y1484-W1489 HydrophobicContact CD2-CH2 4.03Å; Y1484-W1489 AromaticContact CD2-CZ2 3.79Å; Y1484-W1489 HydrophobicContact CD2-CZ2 3.79Å; Y1484-W1489 HydrophobicContact CD2-CZ3 4.46Å; Y1484-W1489 AromaticContact CE2-CH2 3.8Å; Y1484-W1489 HydrophobicContact CE2-CH2 3.8Å; Y1484-W1489 AromaticContact CE2-CZ2 3.94Å; Y1484-W1489 HydrophobicContact CE2-CZ2 3.94Å; Y1484-W1489 HydrophobicContact CE2-CZ3 4.36Å; Q1486-W1489 WeakPolarHBondContact O-CB 3.49Å; Q1486-W1489 PolarHBondContact O-N 3.49Å; V1487-W1489 PolarHBondContact O-N 3.07Å; W1489-I1491 PolarHBondContact O-N 3.2Å; W1489-F1492 PolarHBondContact O-N 3.47Å; W1489-A1493 HydrophobicContact CH2-CB 4.46Å; W1489-A1493 HydrophobicContact CZ3-CB 4.48Å; W1489-A1493 VanDerWaalsContact O-CB 3.31Å; W1489-A1493 WeakPolarHBondContact O-CB 3.4Å; W1489-A1493 PolarHBondContact O-N 3.17Å; W1489-A1522 WeakPolarHBondContact CZ2-O 3.41Å; W1489-V1523 HydrophobicContact CH2-CG1 4.46Å; W1489-V1523 HydrophobicContact CZ2-CG2 4.21Å |
| 1490 | T | 63 | Low | 65.3 | Low | 51 Ų | 51 | 50.5 Ų | 50.5 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 177.8 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | V1487 K1494 | V1487-T1490 PolarHBondContact O-N 3.29Å; V1487-T1490 PolarHBondContact O-OG1 3.42Å; T1490-K1494 WeakPolarHBondContact O-CB 3.23Å; T1490-K1494 WeakPolarHBondContact O-CG 3.49Å; T1490-K1494 PolarHBondContact O-N 2.89Å |
| 1491 | I | 65.5 | Low | 65.8 | Low | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.087 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 173.5 | -70.4 | 167.4 | 0 | 0 | 0 | 110.2 | M701 L705 F1459 V1487 S1488 W1489 K1494 L1495 | M701-I1491 HydrophobicContact CE-CB 4.22Å; M701-I1491 HydrophobicContact CE-CD1 4.47Å; M701-I1491 HydrophobicContact CE-CG1 3.34Å; M701-I1491 HydrophobicContact CG-CD1 4.03Å; M701-I1491 HydrophobicContact CG-CG1 3.86Å; M701-I1491 HydrophobicContact SD-CD1 3.91Å; M701-I1491 HydrophobicContact SD-CG1 3.29Å; M701-I1491 WeakPolarHBondContact SD-CG1 3.44Å; L705-I1491 HydrophobicContact CD1-CD1 3.72Å; F1459-I1491 HydrophobicContact CD2-CG2 4.33Å; V1487-I1491 HydrophobicContact CG1-CD1 3.87Å; V1487-I1491 HydrophobicContact CG1-CG1 4.44Å; V1487-I1491 WeakPolarHBondContact O-CG1 3.23Å; V1487-I1491 PolarHBondContact O-N 2.92Å; S1488-I1491 PolarHBondContact O-N 2.91Å; W1489-I1491 PolarHBondContact O-N 3.2Å; I1491-K1494 PolarHBondContact O-N 3.48Å; I1491-L1495 HydrophobicContact CG2-CD1 3.48Å; I1491-L1495 VanDerWaalsContact CG2-CD1 3.48Å; I1491-L1495 HydrophobicContact CG2-CG 4.28Å; I1491-L1495 VanDerWaalsContact O-CB 3.23Å; I1491-L1495 WeakPolarHBondContact O-CB 3.33Å; I1491-L1495 VanDerWaalsContact O-CG 3.32Å; I1491-L1495 WeakPolarHBondContact O-CG 3.5Å; I1491-L1495 PolarHBondContact O-N 3.34Å |
| 1492 | F | 71.3 | Confident | 66.5 | Low | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | -178.4 | -170.9 | -103.3 | 0 | 0 | 0 | 111.5 | L1462 I1466 L1475 M1478 L1479 L1482 S1488 W1489 L1495 L1496 | L1462-F1492 HydrophobicContact CB-CD2 3.95Å; L1462-F1492 HydrophobicContact CB-CE2 4.4Å; L1462-F1492 HydrophobicContact CD1-CB 4.42Å; L1462-F1492 HydrophobicContact CD1-CD2 4.24Å; L1462-F1492 HydrophobicContact CD2-CD2 3.29Å; L1462-F1492 HydrophobicContact CD2-CE2 3.68Å; L1462-F1492 HydrophobicContact CD2-CG 4.23Å; L1462-F1492 HydrophobicContact CG-CD2 3.97Å; I1466-F1492 HydrophobicContact CD1-CD2 3.72Å; I1466-F1492 HydrophobicContact CD1-CE2 3.64Å; I1466-F1492 HydrophobicContact CD1-CG 4.5Å; I1466-F1492 HydrophobicContact CD1-CZ 4.3Å; I1466-F1492 HydrophobicContact CG1-CD2 4.15Å; I1466-F1492 HydrophobicContact CG1-CE2 3.52Å; I1466-F1492 HydrophobicContact CG1-CZ 3.92Å; L1475-F1492 HydrophobicContact CD2-CZ 3.95Å; M1478-F1492 HydrophobicContact CE-CE2 4.36Å; M1478-F1492 HydrophobicContact CE-CZ 3.88Å; L1479-F1492 HydrophobicContact CB-CD1 4.04Å; L1479-F1492 HydrophobicContact CB-CE1 3.94Å; L1479-F1492 HydrophobicContact CD1-CD1 3.7Å; L1479-F1492 HydrophobicContact CD1-CE1 4.09Å; L1479-F1492 HydrophobicContact CG-CD1 3.94Å; L1479-F1492 HydrophobicContact CG-CE1 4.32Å; L1482-F1492 HydrophobicContact CD1-CB 4.09Å; L1482-F1492 HydrophobicContact CD1-CD1 4.1Å; L1482-F1492 HydrophobicContact CD1-CG 4Å; S1488-F1492 WeakPolarHBondContact O-CB 3.36Å; S1488-F1492 PolarHBondContact O-N 2.77Å; W1489-F1492 PolarHBondContact O-N 3.47Å; F1492-L1495 PolarHBondContact O-N 2.96Å; F1492-L1496 HydrophobicContact CE1-CD2 4.47Å; F1492-L1496 WeakPolarHBondContact O-CB 2.91Å; F1492-L1496 PolarHBondContact O-N 2.7Å |
| 1493 | A | 69 | Low | 67.5 | Low | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -49.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1479 W1489 L1496 I1497 V1523 I1528 | L1479-A1493 HydrophobicContact CD1-CB 4.04Å; W1489-A1493 HydrophobicContact CH2-CB 4.46Å; W1489-A1493 HydrophobicContact CZ3-CB 4.48Å; W1489-A1493 VanDerWaalsContact O-CB 3.31Å; W1489-A1493 WeakPolarHBondContact O-CB 3.4Å; W1489-A1493 PolarHBondContact O-N 3.17Å; A1493-L1496 PolarHBondContact O-N 3.29Å; A1493-I1497 WeakPolarHBondContact O-CB 3.08Å; A1493-I1497 WeakPolarHBondContact O-CD1 3.41Å; A1493-I1497 VanDerWaalsContact O-CG1 3.25Å; A1493-I1497 WeakPolarHBondContact O-CG1 3.33Å; A1493-I1497 PolarHBondContact O-N 2.69Å; A1493-I1497 VanDerWaalsContact O-N 3.09Å; A1493-V1523 HydrophobicContact CB-CG1 4.45Å; A1493-V1523 HydrophobicContact CB-CG2 4.18Å; A1493-I1528 HydrophobicContact CB-CD1 4.42Å |
| 1494 | K | 72.5 | Confident | 68.5 | Low | 29 Ų | 29 | 42.2 Ų | 42.2 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.9 | -71.8 | -171.6 | 178.4 | -164.4 | 0 | 111.7 | D699 M701 V1068 T1490 I1491 T1498 I1528 E1531 | D699-K1494 IonicContact OD2-NZ 3.48Å; D699-K1494 PolarHBondContact OD2-NZ 2.99Å; M701-K1494 HydrophobicContact CE-CD 4.26Å; V1068-K1494 HydrophobicContact CB-CB 4.26Å; V1068-K1494 HydrophobicContact CB-CD 4.34Å; V1068-K1494 HydrophobicContact CG1-CB 4.25Å; V1068-K1494 HydrophobicContact CG2-CB 3.89Å; V1068-K1494 HydrophobicContact CG2-CD 3.37Å; V1068-K1494 HydrophobicContact CG2-CG 4.26Å; T1490-K1494 WeakPolarHBondContact O-CB 3.23Å; T1490-K1494 WeakPolarHBondContact O-CG 3.49Å; T1490-K1494 PolarHBondContact O-N 2.89Å; I1491-K1494 PolarHBondContact O-N 3.48Å; K1494-T1498 WeakPolarHBondContact O-CB 3.31Å; K1494-T1498 PolarHBondContact O-N 2.94Å; K1494-T1498 PolarHBondContact O-OG1 2.93Å; K1494-I1528 HydrophobicContact CD-CG2 4.24Å; K1494-I1528 HydrophobicContact CG-CG2 3.79Å; K1494-E1531 HydrophobicContact CD-CG 4.22Å; K1494-E1531 IonicContact NZ-OE1 3.87Å; K1494-E1531 PolarHBondContact NZ-OE1 3.29Å |
| 1495 | L | 73 | Confident | 70.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 177.2 | -82.5 | 166.6 | 0 | 0 | 0 | 112.6 | V1072 F1459 I1466 I1491 F1492 I1497 T1498 L1499 | V1072-L1495 HydrophobicContact CG2-CD2 3.65Å; F1459-L1495 HydrophobicContact CD2-CD1 3.76Å; F1459-L1495 HydrophobicContact CE2-CD1 3.69Å; F1459-L1495 HydrophobicContact CE2-CD2 3.66Å; F1459-L1495 HydrophobicContact CE2-CG 4.11Å; F1459-L1495 HydrophobicContact CZ-CD1 4.45Å; F1459-L1495 HydrophobicContact CZ-CD2 3.85Å; I1466-L1495 HydrophobicContact CD1-CB 3.69Å; I1491-L1495 HydrophobicContact CG2-CD1 3.48Å; I1491-L1495 VanDerWaalsContact CG2-CD1 3.48Å; I1491-L1495 HydrophobicContact CG2-CG 4.28Å; I1491-L1495 VanDerWaalsContact O-CB 3.23Å; I1491-L1495 WeakPolarHBondContact O-CB 3.33Å; I1491-L1495 VanDerWaalsContact O-CG 3.32Å; I1491-L1495 WeakPolarHBondContact O-CG 3.5Å; I1491-L1495 PolarHBondContact O-N 3.34Å; F1492-L1495 PolarHBondContact O-N 2.96Å; L1495-I1497 VanDerWaalsContact C-N 3.29Å; L1495-I1497 PolarHBondContact O-N 3.3Å; L1495-T1498 PolarHBondContact O-N 3.11Å; L1495-L1499 HydrophobicContact CB-CD1 4.33Å; L1495-L1499 HydrophobicContact CD2-CD1 3.93Å; L1495-L1499 HydrophobicContact CD2-CG 4.44Å; L1495-L1499 VanDerWaalsContact O-CB 3.28Å; L1495-L1499 WeakPolarHBondContact O-CB 3.36Å; L1495-L1499 VanDerWaalsContact O-CG 3.3Å; L1495-L1499 WeakPolarHBondContact O-CG 3.37Å; L1495-L1499 PolarHBondContact O-N 2.97Å |
| 1496 | L | 77 | Confident | 71.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.5 | -48.2 | 177.9 | 175.8 | 61.4 | 0 | 0 | 0 | 109.9 | I1466 L1472 L1475 L1479 F1492 A1493 T1498 R1500 F1519 | I1466-L1496 HydrophobicContact CD1-CB 4.25Å; I1466-L1496 HydrophobicContact CG1-CD1 4.46Å; I1466-L1496 HydrophobicContact CG2-CD1 4.08Å; L1472-L1496 HydrophobicContact CD1-CD1 4.34Å; L1475-L1496 HydrophobicContact CB-CD1 4.15Å; L1475-L1496 HydrophobicContact CD1-CD1 3.58Å; L1475-L1496 HydrophobicContact CG-CD1 4.32Å; L1479-L1496 HydrophobicContact CD1-CD2 3.86Å; F1492-L1496 HydrophobicContact CE1-CD2 4.47Å; F1492-L1496 WeakPolarHBondContact O-CB 2.91Å; F1492-L1496 PolarHBondContact O-N 2.7Å; A1493-L1496 PolarHBondContact O-N 3.29Å; L1496-T1498 PolarHBondContact O-N 3.36Å; L1496-R1500 HydrophobicContact CD1-CB 4.37Å; L1496-R1500 HydrophobicContact CD1-CG 4.33Å; L1496-R1500 WeakPolarHBondContact O-CB 3.47Å; L1496-R1500 PolarHBondContact O-N 3.14Å; L1496-F1519 HydrophobicContact CD2-CD2 4.44Å; L1496-F1519 HydrophobicContact CD2-CE2 3.95Å |
| 1497 | I | 74.9 | Confident | 72.9 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 177.2 | -69.7 | 166.1 | 0 | 0 | 0 | 111.6 | A1493 L1495 R1501 F1519 V1523 L1525 V1534 I1537 | A1493-I1497 WeakPolarHBondContact O-CB 3.08Å; A1493-I1497 WeakPolarHBondContact O-CD1 3.41Å; A1493-I1497 VanDerWaalsContact O-CG1 3.25Å; A1493-I1497 WeakPolarHBondContact O-CG1 3.33Å; A1493-I1497 PolarHBondContact O-N 2.69Å; A1493-I1497 VanDerWaalsContact O-N 3.09Å; L1495-I1497 VanDerWaalsContact C-N 3.29Å; L1495-I1497 PolarHBondContact O-N 3.3Å; I1497-R1501 WeakPolarHBondContact O-CB 3.09Å; I1497-R1501 PolarHBondContact O-N 3.02Å; I1497-F1519 HydrophobicContact CD1-CZ 4.16Å; I1497-F1519 HydrophobicContact CG1-CE2 4.49Å; I1497-F1519 HydrophobicContact CG1-CZ 3.8Å; I1497-V1523 HydrophobicContact CD1-CG1 4.36Å; I1497-L1525 HydrophobicContact CD1-CD2 3.77Å; I1497-V1534 HydrophobicContact CD1-CG2 3.94Å; I1497-V1534 HydrophobicContact CG2-CG2 3.75Å; I1497-I1537 HydrophobicContact CG2-CD1 3.7Å |
| 1498 | T | 75.8 | Confident | 73.9 | Confident | 23 Ų | 23 | 26.7 Ų | 26.7 | 14% | 0.141 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.1 | -40.2 | -176.5 | -49.1 | 0 | 0 | 0 | 0 | 112.3 | E1069 K1494 L1495 L1496 | E1069-T1498 HydrophobicContact CB-CG2 4.02Å; E1069-T1498 HydrophobicContact CG-CG2 4.02Å; K1494-T1498 WeakPolarHBondContact O-CB 3.31Å; K1494-T1498 PolarHBondContact O-N 2.94Å; K1494-T1498 PolarHBondContact O-OG1 2.93Å; L1495-T1498 PolarHBondContact O-N 3.11Å; L1496-T1498 PolarHBondContact O-N 3.36Å |
| 1499 | L | 77.7 | Confident | 75 | Confident | 18 Ų | 18 | 30.8 Ų | 30.8 | 9% | 0.094 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -88.6 | -29.2 | -172.6 | -64.8 | 172.3 | 0 | 0 | 0 | 113.8 | V1072 Y1463 I1466 V1467 L1495 | V1072-L1499 HydrophobicContact CG1-CD2 3.81Å; Y1463-L1499 HydrophobicContact CD2-CD1 3.54Å; Y1463-L1499 HydrophobicContact CD2-CD2 4.21Å; Y1463-L1499 HydrophobicContact CE2-CD1 3.7Å; Y1463-L1499 HydrophobicContact CE2-CD2 3.5Å; Y1463-L1499 VanDerWaalsContact CE2-CD2 3.5Å; Y1463-L1499 HydrophobicContact CE2-CG 4.27Å; Y1463-L1499 HydrophobicContact CG-CD1 4.14Å; I1466-L1499 HydrophobicContact CB-CD1 4.39Å; I1466-L1499 HydrophobicContact CG2-CB 3.88Å; I1466-L1499 HydrophobicContact CG2-CD1 4.09Å; V1467-L1499 HydrophobicContact CG2-CB 4.48Å; V1467-L1499 HydrophobicContact CG2-CD1 4.06Å; L1495-L1499 HydrophobicContact CB-CD1 4.33Å; L1495-L1499 HydrophobicContact CD2-CD1 3.93Å; L1495-L1499 HydrophobicContact CD2-CG 4.44Å; L1495-L1499 VanDerWaalsContact O-CB 3.28Å; L1495-L1499 WeakPolarHBondContact O-CB 3.36Å; L1495-L1499 VanDerWaalsContact O-CG 3.3Å; L1495-L1499 WeakPolarHBondContact O-CG 3.37Å; L1495-L1499 PolarHBondContact O-N 2.97Å |
| 1500 | R | 80.6 | Confident | 75.7 | Confident | 34 Ų | 34 | 35 Ų | 35 | 13% | 0.128 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -112.3 | 25.2 | 179.2 | -65.4 | -54.8 | -158.4 | -140.5 | 9.2 | 113.2 | I1466 V1467 T1469 N1470 L1496 D1502 M1503 L1504 | I1466-R1500 HydrophobicContact CG2-CG 3.71Å; I1466-R1500 PolarHBondContact O-NE 3.06Å; I1466-R1500 PolarHBondContact O-NH2 3.13Å; V1467-R1500 PolarHBondContact O-NH1 3.25Å; V1467-R1500 PolarHBondContact O-NH2 2.7Å; T1469-R1500 PolarHBondContact O-NH2 3.47Å; N1470-R1500 PolarHBondContact OD1-NH2 3.32Å; L1496-R1500 HydrophobicContact CD1-CB 4.37Å; L1496-R1500 HydrophobicContact CD1-CG 4.33Å; L1496-R1500 WeakPolarHBondContact O-CB 3.47Å; L1496-R1500 PolarHBondContact O-N 3.14Å; R1500-D1502 PolarHBondContact O-N 3.39Å; R1500-M1503 HydrophobicContact CB-CB 4.43Å; R1500-M1503 VanDerWaalsContact CD-SD 3.59Å; R1500-M1503 HydrophobicContact CG-SD 4.36Å; R1500-M1503 PolarHBondContact O-N 3.48Å; R1500-L1504 PolarHBondContact O-N 2.74Å |
| 1501 | R | 79.3 | Confident | 76 | Confident | 57 Ų | 57 | 33.7 Ų | 33.7 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -50.1 | -44.7 | 174.1 | -177.3 | 171.7 | 161.9 | -174.4 | -8.8 | 111.8 | I1497 L1504 V1505 F1536 I1537 | I1497-R1501 WeakPolarHBondContact O-CB 3.09Å; I1497-R1501 PolarHBondContact O-N 3.02Å; R1501-L1504 PolarHBondContact O-N 2.95Å; R1501-V1505 HydrophobicContact CG-CG2 4.34Å; R1501-V1505 WeakPolarHBondContact O-CB 3.39Å; R1501-V1505 WeakPolarHBondContact O-CG2 3.47Å; R1501-V1505 PolarHBondContact O-N 3.21Å; R1501-F1536 HydrophobicContact CG-CD1 4.43Å; R1501-F1536 VanDerWaalsContact NH2-CE1 3.27Å; R1501-F1536 VanDerWaalsContact NH2-CE2 3.26Å; R1501-I1537 HydrophobicContact CG-CD1 4.49Å; R1501-I1537 HydrophobicContact CG-CG1 4.3Å |
| 1502 | D | 78.4 | Confident | 76.6 | Confident | 131 Ų | 131 | 37.4 Ų | 37.4 | 70% | 0.701 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -66.4 | -42 | -178.1 | -61.4 | -27 | 0 | 0 | 0 | 112.7 | R1500 V1505 E1506 | R1500-D1502 PolarHBondContact O-N 3.39Å; D1502-V1505 CarbonylContact O-C 3.56Å; D1502-V1505 PolarHBondContact O-N 3.02Å; D1502-E1506 WeakPolarHBondContact O-CB 3.34Å; D1502-E1506 PolarHBondContact O-N 3.21Å |
| 1503 | M | 79.7 | Confident | 76.5 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 175 | -74.8 | -177.4 | 69.5 | 0 | 0 | 112.2 | N1470 R1500 V1505 E1506 A1507 | N1470-M1503 WeakPolarHBondContact O-CE 3.3Å; R1500-M1503 HydrophobicContact CB-CB 4.43Å; R1500-M1503 VanDerWaalsContact CD-SD 3.59Å; R1500-M1503 HydrophobicContact CG-SD 4.36Å; R1500-M1503 PolarHBondContact O-N 3.48Å; M1503-V1505 VanDerWaalsContact C-N 3.34Å; M1503-E1506 PolarHBondContact O-N 3.1Å; M1503-A1507 WeakPolarHBondContact O-CB 3.35Å; M1503-A1507 PolarHBondContact O-N 3.43Å |
| 1504 | L | 75.5 | Confident | 76.5 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 174.2 | -76 | 162.5 | 0 | 0 | 0 | 110.3 | L1472 R1500 R1501 A1507 I1508 F1519 I1537 | L1472-L1504 HydrophobicContact CD1-CD2 4.11Å; L1472-L1504 HydrophobicContact CD1-CG 4.44Å; L1472-L1504 HydrophobicContact CD2-CD2 3.44Å; L1472-L1504 VanDerWaalsContact CD2-CD2 3.44Å; L1472-L1504 HydrophobicContact CD2-CG 4.13Å; L1472-L1504 HydrophobicContact CG-CD2 4.38Å; R1500-L1504 PolarHBondContact O-N 2.74Å; R1501-L1504 PolarHBondContact O-N 2.95Å; L1504-A1507 PolarHBondContact O-N 3.4Å; L1504-I1508 WeakPolarHBondContact O-CB 3.29Å; L1504-I1508 VanDerWaalsContact O-CD1 3.29Å; L1504-I1508 WeakPolarHBondContact O-CD1 3.47Å; L1504-I1508 WeakPolarHBondContact O-CG1 3.41Å; L1504-I1508 PolarHBondContact O-N 3.01Å; L1504-F1519 HydrophobicContact CD1-CZ 4.26Å; L1504-F1519 HydrophobicContact CD2-CD1 4.23Å; L1504-F1519 HydrophobicContact CD2-CD2 4.44Å; L1504-F1519 HydrophobicContact CD2-CE1 4.19Å; L1504-F1519 HydrophobicContact CD2-CE2 4.44Å; L1504-F1519 HydrophobicContact CD2-CG 4.35Å; L1504-F1519 HydrophobicContact CD2-CZ 4.32Å; L1504-I1537 HydrophobicContact CB-CD1 4.25Å; L1504-I1537 HydrophobicContact CD1-CD1 3.82Å |
| 1505 | V | 80.9 | Confident | 76.4 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -39.5 | 175 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | R1501 D1502 M1503 I1508 Q1509 F1536 E1540 | R1501-V1505 HydrophobicContact CG-CG2 4.34Å; R1501-V1505 WeakPolarHBondContact O-CB 3.39Å; R1501-V1505 WeakPolarHBondContact O-CG2 3.47Å; R1501-V1505 PolarHBondContact O-N 3.21Å; D1502-V1505 CarbonylContact O-C 3.56Å; D1502-V1505 PolarHBondContact O-N 3.02Å; M1503-V1505 VanDerWaalsContact C-N 3.34Å; V1505-I1508 CarbonylContact O-C 3.46Å; V1505-I1508 WeakPolarHBondContact O-CB 3.25Å; V1505-I1508 PolarHBondContact O-N 3.06Å; V1505-Q1509 HydrophobicContact CG1-CG 4.36Å; V1505-Q1509 WeakPolarHBondContact O-CB 3.48Å; V1505-Q1509 VanDerWaalsContact O-CG 3.22Å; V1505-Q1509 WeakPolarHBondContact O-CG 2.76Å; V1505-Q1509 PolarHBondContact O-N 3.18Å; V1505-F1536 HydrophobicContact CG2-CD1 4.4Å; V1505-F1536 HydrophobicContact CG2-CE1 3.93Å; V1505-E1540 HydrophobicContact CG2-CG 4.26Å |
| 1506 | E | 81.8 | Confident | 76.3 | Confident | 109 Ų | 109 | 49.6 Ų | 49.6 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 176.1 | -170.9 | 177.6 | -175 | 0 | 0 | 111.6 | D1502 M1503 I1508 Q1509 N1510 | D1502-E1506 WeakPolarHBondContact O-CB 3.34Å; D1502-E1506 PolarHBondContact O-N 3.21Å; M1503-E1506 PolarHBondContact O-N 3.1Å; E1506-I1508 PolarHBondContact O-N 3.5Å; E1506-Q1509 PolarHBondContact O-N 3.37Å; E1506-N1510 WeakPolarHBondContact CG-ND2 3.27Å; E1506-N1510 VanDerWaalsContact O-CB 3.25Å; E1506-N1510 WeakPolarHBondContact O-CB 3.41Å; E1506-N1510 VanDerWaalsContact O-CG 3.24Å; E1506-N1510 PolarHBondContact O-N 3.35Å; E1506-N1510 PolarHBondContact O-ND2 3.27Å |
| 1507 | A | 77.5 | Confident | 76.1 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -35.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1503 L1504 G1511 Q1512 | M1503-A1507 WeakPolarHBondContact O-CB 3.35Å; M1503-A1507 PolarHBondContact O-N 3.43Å; L1504-A1507 PolarHBondContact O-N 3.4Å; A1507-G1511 PolarHBondContact O-N 3.01Å; A1507-G1511 VanDerWaalsContact O-N 3.14Å; A1507-Q1512 PolarHBondContact O-N 3.41Å; A1507-Q1512 VanDerWaalsContact O-N 3.13Å |
| 1508 | I | 75.5 | Confident | 75.8 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67 | -44.9 | 173.6 | -70.1 | 162.8 | 0 | 0 | 0 | 111.3 | L1504 V1505 E1506 G1511 L1516 I1537 M1541 Y1544 T1547 | L1504-I1508 WeakPolarHBondContact O-CB 3.29Å; L1504-I1508 VanDerWaalsContact O-CD1 3.29Å; L1504-I1508 WeakPolarHBondContact O-CD1 3.47Å; L1504-I1508 WeakPolarHBondContact O-CG1 3.41Å; L1504-I1508 PolarHBondContact O-N 3.01Å; V1505-I1508 CarbonylContact O-C 3.46Å; V1505-I1508 WeakPolarHBondContact O-CB 3.25Å; V1505-I1508 PolarHBondContact O-N 3.06Å; E1506-I1508 PolarHBondContact O-N 3.5Å; I1508-G1511 PolarHBondContact O-N 3.16Å; I1508-L1516 HydrophobicContact CD1-CD2 4.41Å; I1508-L1516 HydrophobicContact CG1-CD1 4.04Å; I1508-L1516 HydrophobicContact CG1-CD2 3.8Å; I1508-I1537 HydrophobicContact CD1-CG2 3.89Å; I1508-M1541 HydrophobicContact CD1-CB 4.5Å; I1508-M1541 HydrophobicContact CD1-CG 3.35Å; I1508-M1541 HydrophobicContact CD1-SD 4.42Å; I1508-M1541 HydrophobicContact CG1-CG 3.76Å; I1508-M1541 HydrophobicContact CG2-CG 4.37Å; I1508-Y1544 HydrophobicContact CG2-CD2 3.77Å; I1508-Y1544 HydrophobicContact CG2-CG 4.33Å; I1508-T1547 HydrophobicContact CB-CG2 4.4Å; I1508-T1547 HydrophobicContact CG1-CG2 4.49Å; I1508-T1547 HydrophobicContact CG2-CG2 4.23Å |
| 1509 | Q | 81.1 | Confident | 75.5 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 178.5 | -78 | 176 | 3.5 | 0 | 0 | 112.4 | V1505 E1506 G1511 Y1544 | V1505-Q1509 HydrophobicContact CG1-CG 4.36Å; V1505-Q1509 WeakPolarHBondContact O-CB 3.48Å; V1505-Q1509 VanDerWaalsContact O-CG 3.22Å; V1505-Q1509 WeakPolarHBondContact O-CG 2.76Å; V1505-Q1509 PolarHBondContact O-N 3.18Å; E1506-Q1509 PolarHBondContact O-N 3.37Å; Q1509-G1511 VanDerWaalsContact C-N 3.34Å; Q1509-Y1544 HydrophobicContact CB-CE1 4.42Å; Q1509-Y1544 HydrophobicContact CG-CD1 4.43Å; Q1509-Y1544 HydrophobicContact CG-CD2 4.23Å; Q1509-Y1544 HydrophobicContact CG-CE1 3.81Å; Q1509-Y1544 HydrophobicContact CG-CE2 3.58Å; Q1509-Y1544 WeakPolarHBondContact CG-OH 3.41Å; Q1509-Y1544 PolarHBondContact NE2-OH 3.42Å; Q1509-Y1544 VanDerWaalsContact NE2-OH 3.15Å |
| 1510 | N | 79.8 | Confident | 75.1 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7.6 | -179.4 | -68.9 | -22.8 | 0 | 0 | 0 | 113.5 | E1506 Q1512 | E1506-N1510 WeakPolarHBondContact CG-ND2 3.27Å; E1506-N1510 VanDerWaalsContact O-CB 3.25Å; E1506-N1510 WeakPolarHBondContact O-CB 3.41Å; E1506-N1510 VanDerWaalsContact O-CG 3.24Å; E1506-N1510 PolarHBondContact O-N 3.35Å; E1506-N1510 PolarHBondContact O-ND2 3.27Å; N1510-Q1512 HydrophobicContact CB-CG 4.45Å |
| 1511 | G | 69.7 | Low | 74.3 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 31.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1507 I1508 Q1509 Q1513 | A1507-G1511 PolarHBondContact O-N 3.01Å; A1507-G1511 VanDerWaalsContact O-N 3.14Å; I1508-G1511 PolarHBondContact O-N 3.16Å; Q1509-G1511 VanDerWaalsContact C-N 3.34Å; G1511-Q1513 PolarHBondContact O-N 3.14Å |
| 1512 | Q | 77.8 | Confident | 73.1 | Confident | 94 Ų | 94 | 55.9 Ų | 55.9 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | trans | -78.2 | 75.7 | -179.7 | -67.1 | -178.1 | -20.7 | 0 | 0 | 112.5 | A1507 N1510 E1514 L1515 L1516 | A1507-Q1512 PolarHBondContact O-N 3.41Å; A1507-Q1512 VanDerWaalsContact O-N 3.13Å; N1510-Q1512 HydrophobicContact CB-CG 4.45Å; Q1512-E1514 PolarHBondContact O-N 3.37Å; Q1512-L1515 HydrophobicContact CB-CB 4.41Å; Q1512-L1515 PolarHBondContact O-N 3.17Å; Q1512-L1516 PolarHBondContact O-N 3.49Å | ||
| 1513 | Q | 69 | Low | 72.3 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 41% | 0.407 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | -172.8 | -77 | -174.8 | -23.4 | 0 | 0 | 114.9 | G1511 L1515 L1516 Q1517 A1546 L1550 | G1511-Q1513 PolarHBondContact O-N 3.14Å; Q1513-L1515 VanDerWaalsContact C-N 3.3Å; Q1513-L1515 PolarHBondContact O-N 3.01Å; Q1513-L1516 PolarHBondContact O-N 3.15Å; Q1513-Q1517 WeakPolarHBondContact O-CB 3.35Å; Q1513-Q1517 WeakPolarHBondContact O-CG 3.33Å; Q1513-Q1517 PolarHBondContact O-N 3.41Å; Q1513-A1546 PolarHBondContact NE2-O 3.02Å; Q1513-L1550 HydrophobicContact CB-CD1 4.27Å; Q1513-L1550 HydrophobicContact CG-CD1 4.13Å |
| 1514 | E | 68.7 | Low | 71.6 | Confident | 162 Ų | 162 | 51.2 Ų | 51.2 | 76% | 0.757 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.9 | -38.6 | -177 | -65.6 | -178.4 | 172.5 | 0 | 0 | 112.4 | Q1512 Q1517 C1518 | Q1512-E1514 PolarHBondContact O-N 3.37Å; E1514-Q1517 PolarHBondContact O-N 3.23Å; E1514-C1518 PolarHBondContact O-N 3.21Å; E1514-C1518 PolarHBondContact O-SG 2.77Å |
| 1515 | L | 70.4 | Confident | 71.1 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72 | -43.3 | -179.1 | -152.4 | 167.5 | 0 | 0 | 0 | 110.5 | L1472 Q1512 Q1513 Q1517 C1518 F1519 | L1472-L1515 HydrophobicContact CB-CD1 4.4Å; L1472-L1515 HydrophobicContact CB-CD2 3.71Å; L1472-L1515 HydrophobicContact CD2-CD2 3.37Å; L1472-L1515 HydrophobicContact CG-CD2 3.46Å; L1472-L1515 VanDerWaalsContact CG-CD2 3.46Å; Q1512-L1515 HydrophobicContact CB-CB 4.41Å; Q1512-L1515 PolarHBondContact O-N 3.17Å; Q1513-L1515 VanDerWaalsContact C-N 3.3Å; Q1513-L1515 PolarHBondContact O-N 3.01Å; L1515-Q1517 PolarHBondContact O-N 3.04Å; L1515-C1518 WeakPolarHBondContact O-CB 3.03Å; L1515-C1518 PolarHBondContact O-N 2.63Å; L1515-F1519 PolarHBondContact O-N 3.06Å |
| 1516 | L | 72.4 | Confident | 70.2 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -37.9 | 173.1 | -85.2 | 144.4 | 0 | 0 | 0 | 112.5 | I1508 Q1512 Q1513 F1519 L1520 M1541 T1547 L1550 | I1508-L1516 HydrophobicContact CD1-CD2 4.41Å; I1508-L1516 HydrophobicContact CG1-CD1 4.04Å; I1508-L1516 HydrophobicContact CG1-CD2 3.8Å; Q1512-L1516 PolarHBondContact O-N 3.49Å; Q1513-L1516 PolarHBondContact O-N 3.15Å; L1516-F1519 PolarHBondContact O-N 3.34Å; L1516-L1520 WeakPolarHBondContact O-CB 3.22Å; L1516-L1520 WeakPolarHBondContact O-CG 2.98Å; L1516-L1520 PolarHBondContact O-N 3.33Å; L1516-M1541 HydrophobicContact CD2-SD 3.96Å; L1516-T1547 HydrophobicContact CD1-CG2 3.55Å; L1516-L1550 HydrophobicContact CB-CD1 3.96Å |
| 1517 | Q | 72.4 | Confident | 69.1 | Low | 96 Ų | 96 | 51 Ų | 51 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 172.7 | -78.6 | 179.8 | -6.9 | 0 | 0 | 112.1 | Q1513 E1514 L1515 F1519 L1520 A1521 L1550 | Q1513-Q1517 WeakPolarHBondContact O-CB 3.35Å; Q1513-Q1517 WeakPolarHBondContact O-CG 3.33Å; Q1513-Q1517 PolarHBondContact O-N 3.41Å; E1514-Q1517 PolarHBondContact O-N 3.23Å; L1515-Q1517 PolarHBondContact O-N 3.04Å; Q1517-F1519 VanDerWaalsContact C-N 3.31Å; Q1517-F1519 PolarHBondContact O-N 3.33Å; Q1517-L1520 PolarHBondContact O-N 3.4Å; Q1517-A1521 VanDerWaalsContact O-CB 3.32Å; Q1517-A1521 WeakPolarHBondContact O-CB 3.09Å; Q1517-A1521 PolarHBondContact O-N 3.34Å; Q1517-L1550 HydrophobicContact CG-CD1 4.24Å; Q1517-L1550 HydrophobicContact CG-CD2 3.45Å; Q1517-L1550 VanDerWaalsContact CG-CD2 3.45Å |
| 1518 | C | 67.3 | Low | 68.4 | Low | 53 Ų | 53 | 51.8 Ų | 51.8 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 175.2 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | E1514 L1515 A1522 | E1514-C1518 PolarHBondContact O-N 3.21Å; E1514-C1518 PolarHBondContact O-SG 2.77Å; L1515-C1518 WeakPolarHBondContact O-CB 3.03Å; L1515-C1518 PolarHBondContact O-N 2.63Å; C1518-A1522 WeakPolarHBondContact O-CB 3.45Å; C1518-A1522 PolarHBondContact O-N 3.12Å |
| 1519 | F | 70.3 | Confident | 67.8 | Low | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 175.3 | 177.9 | -107.6 | 0 | 0 | 0 | 112.2 | L1496 I1497 L1504 L1515 L1516 Q1517 A1522 V1523 L1525 | L1496-F1519 HydrophobicContact CD2-CD2 4.44Å; L1496-F1519 HydrophobicContact CD2-CE2 3.95Å; I1497-F1519 HydrophobicContact CD1-CZ 4.16Å; I1497-F1519 HydrophobicContact CG1-CE2 4.49Å; I1497-F1519 HydrophobicContact CG1-CZ 3.8Å; L1504-F1519 HydrophobicContact CD1-CZ 4.26Å; L1504-F1519 HydrophobicContact CD2-CD1 4.23Å; L1504-F1519 HydrophobicContact CD2-CD2 4.44Å; L1504-F1519 HydrophobicContact CD2-CE1 4.19Å; L1504-F1519 HydrophobicContact CD2-CE2 4.44Å; L1504-F1519 HydrophobicContact CD2-CG 4.35Å; L1504-F1519 HydrophobicContact CD2-CZ 4.32Å; L1515-F1519 PolarHBondContact O-N 3.06Å; L1516-F1519 PolarHBondContact O-N 3.34Å; Q1517-F1519 VanDerWaalsContact C-N 3.31Å; Q1517-F1519 PolarHBondContact O-N 3.33Å; F1519-A1522 CarbonylContact O-C 3.51Å; F1519-A1522 WeakPolarHBondContact O-CA 3.42Å; F1519-A1522 PolarHBondContact O-N 3.44Å; F1519-V1523 HydrophobicContact CE2-CG2 4.22Å; F1519-V1523 PolarHBondContact O-N 2.81Å; F1519-L1525 HydrophobicContact CE1-CD1 4.07Å; F1519-L1525 HydrophobicContact CE1-CD2 3.79Å; F1519-L1525 HydrophobicContact CE1-CG 4.23Å; F1519-L1525 HydrophobicContact CZ-CD2 4.09Å |
| 1520 | L | 69 | Low | 66.9 | Low | 18 Ų | 18 | 53.3 Ų | 53.3 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.6 | -28.8 | 178.7 | -69.6 | 171.9 | 0 | 0 | 0 | 113.6 | L1516 Q1517 A1522 L1525 L1550 L1554 | L1516-L1520 WeakPolarHBondContact O-CB 3.22Å; L1516-L1520 WeakPolarHBondContact O-CG 2.98Å; L1516-L1520 PolarHBondContact O-N 3.33Å; Q1517-L1520 PolarHBondContact O-N 3.4Å; L1520-A1522 PolarHBondContact O-N 2.98Å; L1520-L1525 HydrophobicContact CD2-CD1 3.37Å; L1520-L1525 HydrophobicContact CD2-CG 3.87Å; L1520-L1550 HydrophobicContact CD1-CB 4.26Å; L1520-L1554 HydrophobicContact CB-CD2 4.48Å; L1520-L1554 HydrophobicContact CD1-CD1 3.76Å; L1520-L1554 HydrophobicContact CD1-CD2 4.38Å; L1520-L1554 HydrophobicContact CD1-CG 4.24Å; L1520-L1554 HydrophobicContact CD2-CD1 3.43Å; L1520-L1554 VanDerWaalsContact CD2-CD1 3.43Å; L1520-L1554 HydrophobicContact CD2-CD2 4.19Å; L1520-L1554 HydrophobicContact CD2-CG 4.36Å; L1520-L1554 HydrophobicContact CG-CD1 4.17Å |
| 1521 | A | 63.5 | Low | 66.2 | Low | 84 Ų | 84 | 49 Ų | 49 | 69% | 0.694 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -70.1 | -23.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1517 | Q1517-A1521 VanDerWaalsContact O-CB 3.32Å; Q1517-A1521 WeakPolarHBondContact O-CB 3.09Å; Q1517-A1521 PolarHBondContact O-N 3.34Å |
| 1522 | A | 54.9 | Low | 66.2 | Low | 10 Ų | 10 | 50 Ų | 50 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -94.4 | -28.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1479 K1480 W1489 C1518 F1519 L1520 | L1479-A1522 HydrophobicContact CD2-CB 3.71Å; L1479-A1522 VanDerWaalsContact CD2-O 3.24Å; L1479-A1522 WeakPolarHBondContact CD2-O 3.36Å; K1480-A1522 HydrophobicContact CG-CB 3.95Å; W1489-A1522 WeakPolarHBondContact CZ2-O 3.41Å; C1518-A1522 WeakPolarHBondContact O-CB 3.45Å; C1518-A1522 PolarHBondContact O-N 3.12Å; F1519-A1522 CarbonylContact O-C 3.51Å; F1519-A1522 WeakPolarHBondContact O-CA 3.42Å; F1519-A1522 PolarHBondContact O-N 3.44Å; L1520-A1522 PolarHBondContact O-N 2.98Å |
| 1523 | V | 60.6 | Low | 65.9 | Low | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | trans | -134.5 | 125 | -176.5 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | L1479 W1489 A1493 I1497 F1519 L1525 I1528 | L1479-V1523 HydrophobicContact CD1-CG2 3.65Å; L1479-V1523 HydrophobicContact CD2-CG2 3.56Å; L1479-V1523 HydrophobicContact CG-CG2 4.32Å; W1489-V1523 HydrophobicContact CH2-CG1 4.46Å; W1489-V1523 HydrophobicContact CZ2-CG2 4.21Å; A1493-V1523 HydrophobicContact CB-CG1 4.45Å; A1493-V1523 HydrophobicContact CB-CG2 4.18Å; I1497-V1523 HydrophobicContact CD1-CG1 4.36Å; F1519-V1523 HydrophobicContact CE2-CG2 4.22Å; F1519-V1523 PolarHBondContact O-N 2.81Å; V1523-L1525 HydrophobicContact CG1-CD2 4.11Å; V1523-L1525 PolarHBondContact O-N 3.43Å; V1523-L1525 VanDerWaalsContact O-N 3.09Å; V1523-I1528 HydrophobicContact CG1-CD1 4.09Å | ||
| 1524 | D | 65.2 | Low | 66 | Low | 78 Ų | 78 | 41.5 Ų | 41.5 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | trans | -78.7 | 87.3 | 170.8 | -68.4 | -48.2 | 0 | 0 | 0 | 111.4 | Y1484 L1526 D1527 | Y1484-D1524 PolarHBondContact OH-OD2 2.89Å; D1524-L1526 PolarHBondContact O-N 3.1Å; D1524-L1526 VanDerWaalsContact O-N 3.08Å; D1524-D1527 HydrophobicContact CB-CB 4.41Å; D1524-D1527 PolarHBondContact O-N 3.44Å; D1524-D1527 VanDerWaalsContact O-N 3.08Å | ||
| 1525 | L | 65.7 | Low | 66.2 | Low | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -24.7 | -176.9 | -68.9 | 179.5 | 0 | 0 | 0 | 114.5 | I1497 F1519 L1520 V1523 S1529 V1534 L1538 M1541 | I1497-L1525 HydrophobicContact CD1-CD2 3.77Å; F1519-L1525 HydrophobicContact CE1-CD1 4.07Å; F1519-L1525 HydrophobicContact CE1-CD2 3.79Å; F1519-L1525 HydrophobicContact CE1-CG 4.23Å; F1519-L1525 HydrophobicContact CZ-CD2 4.09Å; L1520-L1525 HydrophobicContact CD2-CD1 3.37Å; L1520-L1525 HydrophobicContact CD2-CG 3.87Å; V1523-L1525 HydrophobicContact CG1-CD2 4.11Å; V1523-L1525 PolarHBondContact O-N 3.43Å; V1523-L1525 VanDerWaalsContact O-N 3.09Å; L1525-S1529 PolarHBondContact O-N 3.26Å; L1525-V1534 HydrophobicContact CB-CG1 4.29Å; L1525-V1534 HydrophobicContact CD2-CG1 4.15Å; L1525-V1534 WeakPolarHBondContact O-CG1 3.24Å; L1525-L1538 HydrophobicContact CB-CD2 4.31Å; L1525-L1538 HydrophobicContact CD1-CD2 4.33Å; L1525-M1541 HydrophobicContact CD1-CE 3.81Å |
| 1526 | L | 62.4 | Low | 66.6 | Low | 23 Ų | 23 | 37.4 Ų | 37.4 | 12% | 0.12 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -17.5 | -179.3 | -67.5 | 172.8 | 0 | 0 | 0 | 113.2 | D1524 S1529 L1538 L1554 E1558 L1572 | D1524-L1526 PolarHBondContact O-N 3.1Å; D1524-L1526 VanDerWaalsContact O-N 3.08Å; L1526-S1529 PolarHBondContact O-OG 2.86Å; L1526-L1538 HydrophobicContact CD2-CD1 4.28Å; L1526-L1554 HydrophobicContact CD1-CB 4.25Å; L1526-E1558 HydrophobicContact CD1-CB 4.2Å; L1526-E1558 HydrophobicContact CD1-CG 3.7Å; L1526-L1572 HydrophobicContact CD1-CD2 4.46Å; L1526-L1572 HydrophobicContact CD2-CD2 3.97Å |
| 1527 | D | 57.9 | Low | 66.8 | Low | 95 Ų | 95 | 37.4 Ų | 37.4 | 51% | 0.508 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -20.6 | 173.5 | -85.8 | -17.7 | 0 | 0 | 0 | 113.1 | D1524 K1568 | D1524-D1527 HydrophobicContact CB-CB 4.41Å; D1524-D1527 PolarHBondContact O-N 3.44Å; D1524-D1527 VanDerWaalsContact O-N 3.08Å; D1527-K1568 IonicContact OD1-NZ 2.92Å; D1527-K1568 PolarHBondContact OD1-NZ 3.01Å |
| 1528 | I | 63.9 | Low | 66.9 | Low | 22 Ų | 22 | 33 Ų | 33 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -106 | 14.7 | 178 | -40.5 | 179.4 | 0 | 0 | 0 | 110.9 | A1493 K1494 V1523 D1530 E1531 V1534 | A1493-I1528 HydrophobicContact CB-CD1 4.42Å; K1494-I1528 HydrophobicContact CD-CG2 4.24Å; K1494-I1528 HydrophobicContact CG-CG2 3.79Å; V1523-I1528 HydrophobicContact CG1-CD1 4.09Å; I1528-D1530 PolarHBondContact O-N 3.01Å; I1528-E1531 HydrophobicContact CG2-CG 4Å; I1528-E1531 PolarHBondContact O-N 3.15Å; I1528-E1531 VanDerWaalsContact O-N 3.15Å; I1528-V1534 HydrophobicContact CB-CG2 4.47Å; I1528-V1534 HydrophobicContact CG2-CG2 4.3Å |
| 1529 | S | 62.5 | Low | 67.4 | Low | 5 Ų | 5 | 33.2 Ų | 33.2 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.1 | -172.2 | 68 | 0 | 0 | 0 | 0 | 114.3 | L1525 L1526 E1531 Q1571 | L1525-S1529 PolarHBondContact O-N 3.26Å; L1526-S1529 PolarHBondContact O-OG 2.86Å; S1529-E1531 PolarHBondContact O-N 2.8Å; S1529-Q1571 PolarHBondContact O-NE2 3.2Å; S1529-Q1571 PolarHBondContact OG-OE1 3.31Å |
| 1530 | D | 61.2 | Low | 67.7 | Low | 121 Ų | 121 | 33.7 Ų | 33.7 | 65% | 0.647 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.7 | 176.3 | -69.2 | -26.7 | 0 | 0 | 0 | 113.3 | K1067 I1528 | K1067-D1530 PolarHBondContact NZ-O 2.82Å; I1528-D1530 PolarHBondContact O-N 3.01Å |
| 1531 | E | 65.5 | Low | 68.1 | Low | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -80.3 | 127.9 | 175.6 | -69.3 | -72.3 | 176.9 | 0 | 0 | 111.3 | K1067 V1068 K1494 I1528 S1529 S1533 V1534 E1535 | K1067-E1531 WeakPolarHBondContact CB-OE2 3.47Å; V1068-E1531 PolarHBondContact N-OE1 3.26Å; V1068-E1531 VanDerWaalsContact N-OE1 3.15Å; V1068-E1531 PolarHBondContact N-OE2 3.24Å; K1494-E1531 HydrophobicContact CD-CG 4.22Å; K1494-E1531 IonicContact NZ-OE1 3.87Å; K1494-E1531 PolarHBondContact NZ-OE1 3.29Å; I1528-E1531 HydrophobicContact CG2-CG 4Å; I1528-E1531 PolarHBondContact O-N 3.15Å; I1528-E1531 VanDerWaalsContact O-N 3.15Å; S1529-E1531 PolarHBondContact O-N 2.8Å; E1531-S1533 VanDerWaalsContact C-N 3.29Å; E1531-S1533 PolarHBondContact O-N 3.43Å; E1531-V1534 HydrophobicContact CB-CB 4.37Å; E1531-V1534 HydrophobicContact CB-CG2 3.85Å; E1531-V1534 WeakPolarHBondContact O-CB 3.43Å; E1531-V1534 PolarHBondContact O-N 3.17Å; E1531-E1535 PolarHBondContact O-N 3.35Å |
| 1532 | P | 69.5 | Low | 68.6 | Low | 46 Ų | 46 | 29 Ų | 29 | 30% | 0.299 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.2 | -30.9 | -172.1 | 19.4 | -27.5 | 0 | 0 | 0 | 113.4 | K1067 E1069 F1536 | K1067-P1532 HydrophobicContact CD-CG 4.2Å; E1069-P1532 WeakPolarHBondContact OE2-CG 3.47Å; P1532-F1536 WeakPolarHBondContact O-CB 3.49Å; P1532-F1536 PolarHBondContact O-N 3.13Å |
| 1533 | S | 71.3 | Confident | 69.7 | Low | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -35.7 | 172.7 | -73.8 | 0 | 0 | 0 | 0 | 112.8 | E1069 E1531 I1537 | E1069-S1533 PolarHBondContact OE2-N 2.91Å; E1069-S1533 PolarHBondContact OE2-OG 3.22Å; E1531-S1533 VanDerWaalsContact C-N 3.29Å; E1531-S1533 PolarHBondContact O-N 3.43Å; S1533-I1537 WeakPolarHBondContact O-CG1 3.41Å; S1533-I1537 PolarHBondContact O-N 3.38Å; S1533-I1537 VanDerWaalsContact O-N 3.08Å |
| 1534 | V | 71.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.8 | -44.9 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | I1497 L1525 I1528 E1531 F1536 I1537 L1538 | I1497-V1534 HydrophobicContact CD1-CG2 3.94Å; I1497-V1534 HydrophobicContact CG2-CG2 3.75Å; L1525-V1534 HydrophobicContact CB-CG1 4.29Å; L1525-V1534 HydrophobicContact CD2-CG1 4.15Å; L1525-V1534 WeakPolarHBondContact O-CG1 3.24Å; I1528-V1534 HydrophobicContact CB-CG2 4.47Å; I1528-V1534 HydrophobicContact CG2-CG2 4.3Å; E1531-V1534 HydrophobicContact CB-CB 4.37Å; E1531-V1534 HydrophobicContact CB-CG2 3.85Å; E1531-V1534 WeakPolarHBondContact O-CB 3.43Å; E1531-V1534 PolarHBondContact O-N 3.17Å; V1534-F1536 VanDerWaalsContact C-N 3.26Å; V1534-F1536 PolarHBondContact O-N 3.47Å; V1534-I1537 PolarHBondContact O-N 3.5Å; V1534-L1538 HydrophobicContact CG1-CD1 3.98Å; V1534-L1538 HydrophobicContact CG1-CG 4.49Å; V1534-L1538 WeakPolarHBondContact O-CG 3.43Å; V1534-L1538 PolarHBondContact O-N 2.88Å |
| 1535 | E | 73.4 | Confident | 70.6 | Confident | 50 Ų | 50 | 37.8 Ų | 37.8 | 23% | 0.234 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.2 | -41.8 | 175.2 | -171 | -179.6 | -176.4 | 0 | 0 | 111.1 | E1531 L1538 Q1539 | E1531-E1535 PolarHBondContact O-N 3.35Å; E1535-L1538 PolarHBondContact O-N 3.46Å; E1535-Q1539 VanDerWaalsContact O-CG 3.3Å; E1535-Q1539 WeakPolarHBondContact O-CG 3.26Å; E1535-Q1539 PolarHBondContact O-N 3.49Å |
| 1536 | F | 77.3 | Confident | 70.9 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 27% | 0.272 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 176.1 | -176.9 | -94.1 | 0 | 0 | 0 | 113.2 | R1501 V1505 P1532 V1534 L1538 Q1539 E1540 | R1501-F1536 HydrophobicContact CG-CD1 4.43Å; R1501-F1536 VanDerWaalsContact NH2-CE1 3.27Å; R1501-F1536 VanDerWaalsContact NH2-CE2 3.26Å; V1505-F1536 HydrophobicContact CG2-CD1 4.4Å; V1505-F1536 HydrophobicContact CG2-CE1 3.93Å; P1532-F1536 WeakPolarHBondContact O-CB 3.49Å; P1532-F1536 PolarHBondContact O-N 3.13Å; V1534-F1536 VanDerWaalsContact C-N 3.26Å; V1534-F1536 PolarHBondContact O-N 3.47Å; F1536-L1538 VanDerWaalsContact C-N 3.32Å; F1536-L1538 PolarHBondContact O-N 3.41Å; F1536-Q1539 CarbonylContact O-C 3.55Å; F1536-Q1539 WeakPolarHBondContact O-CB 3.3Å; F1536-Q1539 PolarHBondContact O-N 3.19Å; F1536-Q1539 VanDerWaalsContact O-N 3.16Å; F1536-E1540 HydrophobicContact CD1-CG 3.83Å; F1536-E1540 HydrophobicContact CE1-CG 3.44Å; F1536-E1540 VanDerWaalsContact CE1-CG 3.44Å; F1536-E1540 HydrophobicContact CE2-CG 4.4Å; F1536-E1540 HydrophobicContact CZ-CG 3.76Å; F1536-E1540 PolarHBondContact O-N 3.06Å |
| 1537 | I | 77.4 | Confident | 71.5 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 177 | -71.2 | 173.2 | 0 | 0 | 0 | 110.5 | I1497 R1501 L1504 I1508 S1533 V1534 Q1539 E1540 M1541 | I1497-I1537 HydrophobicContact CG2-CD1 3.7Å; R1501-I1537 HydrophobicContact CG-CD1 4.49Å; R1501-I1537 HydrophobicContact CG-CG1 4.3Å; L1504-I1537 HydrophobicContact CB-CD1 4.25Å; L1504-I1537 HydrophobicContact CD1-CD1 3.82Å; I1508-I1537 HydrophobicContact CD1-CG2 3.89Å; S1533-I1537 WeakPolarHBondContact O-CG1 3.41Å; S1533-I1537 PolarHBondContact O-N 3.38Å; S1533-I1537 VanDerWaalsContact O-N 3.08Å; V1534-I1537 PolarHBondContact O-N 3.5Å; I1537-Q1539 VanDerWaalsContact C-N 3.29Å; I1537-Q1539 PolarHBondContact O-N 3.37Å; I1537-E1540 PolarHBondContact O-N 2.92Å; I1537-M1541 HydrophobicContact CG2-CG 4.37Å; I1537-M1541 WeakPolarHBondContact O-CB 3.45Å; I1537-M1541 WeakPolarHBondContact O-CG 3.4Å; I1537-M1541 PolarHBondContact O-N 3.27Å |
| 1538 | L | 74.6 | Confident | 72.3 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.9 | -39 | 174.9 | -72.2 | 165.5 | 0 | 0 | 0 | 111.5 | L1525 L1526 V1534 E1535 F1536 M1541 S1542 I1575 | L1525-L1538 HydrophobicContact CB-CD2 4.31Å; L1525-L1538 HydrophobicContact CD1-CD2 4.33Å; L1526-L1538 HydrophobicContact CD2-CD1 4.28Å; V1534-L1538 HydrophobicContact CG1-CD1 3.98Å; V1534-L1538 HydrophobicContact CG1-CG 4.49Å; V1534-L1538 WeakPolarHBondContact O-CG 3.43Å; V1534-L1538 PolarHBondContact O-N 2.88Å; E1535-L1538 PolarHBondContact O-N 3.46Å; F1536-L1538 VanDerWaalsContact C-N 3.32Å; F1536-L1538 PolarHBondContact O-N 3.41Å; L1538-M1541 HydrophobicContact CD2-CE 3.59Å; L1538-M1541 HydrophobicContact CG-CE 4.42Å; L1538-S1542 WeakPolarHBondContact O-CB 3.1Å; L1538-S1542 PolarHBondContact O-N 2.83Å; L1538-I1575 HydrophobicContact CB-CD1 3.99Å; L1538-I1575 HydrophobicContact CB-CG1 4.28Å; L1538-I1575 HydrophobicContact CB-CG2 4.5Å; L1538-I1575 HydrophobicContact CD1-CD1 3.93Å; L1538-I1575 HydrophobicContact CG-CD1 4.43Å |
| 1539 | Q | 76.8 | Confident | 72.7 | Confident | 59 Ų | 59 | 33.8 Ų | 33.8 | 28% | 0.276 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.5 | -41 | 173.4 | -73.1 | 176.8 | 14.9 | 0 | 0 | 112.5 | E1535 F1536 I1537 S1542 R1543 | E1535-Q1539 VanDerWaalsContact O-CG 3.3Å; E1535-Q1539 WeakPolarHBondContact O-CG 3.26Å; E1535-Q1539 PolarHBondContact O-N 3.49Å; F1536-Q1539 CarbonylContact O-C 3.55Å; F1536-Q1539 WeakPolarHBondContact O-CB 3.3Å; F1536-Q1539 PolarHBondContact O-N 3.19Å; F1536-Q1539 VanDerWaalsContact O-N 3.16Å; I1537-Q1539 VanDerWaalsContact C-N 3.29Å; I1537-Q1539 PolarHBondContact O-N 3.37Å; Q1539-S1542 WeakPolarHBondContact O-CB 3.47Å; Q1539-S1542 PolarHBondContact O-N 2.81Å; Q1539-S1542 PolarHBondContact O-OG 3.39Å; Q1539-R1543 WeakPolarHBondContact O-CG 3.35Å; Q1539-R1543 PolarHBondContact O-N 3.28Å |
| 1540 | E | 78.1 | Confident | 73 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.9 | -42.7 | 176.4 | -71.2 | -58.9 | 135.9 | 0 | 0 | 112.1 | V1505 F1536 I1537 S1542 R1543 Y1544 | V1505-E1540 HydrophobicContact CG2-CG 4.26Å; F1536-E1540 HydrophobicContact CD1-CG 3.83Å; F1536-E1540 HydrophobicContact CE1-CG 3.44Å; F1536-E1540 VanDerWaalsContact CE1-CG 3.44Å; F1536-E1540 HydrophobicContact CE2-CG 4.4Å; F1536-E1540 HydrophobicContact CZ-CG 3.76Å; F1536-E1540 PolarHBondContact O-N 3.06Å; I1537-E1540 PolarHBondContact O-N 2.92Å; E1540-S1542 PolarHBondContact O-N 3.2Å; E1540-R1543 PolarHBondContact O-N 2.79Å; E1540-R1543 IonicContact OE1-CZ 3.85Å; E1540-R1543 IonicContact OE1-NE 3.05Å; E1540-R1543 IonicContact OE1-NH1 2.71Å; E1540-R1543 PolarHBondContact OE1-NH1 3.41Å; E1540-Y1544 WeakPolarHBondContact O-CD2 3.35Å; E1540-Y1544 PolarHBondContact O-N 2.89Å; E1540-Y1544 WeakPolarHBondContact OE2-CE2 3.43Å |
| 1541 | M | 75.7 | Confident | 73.6 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.3 | -34.4 | 171.2 | -72.6 | -160.3 | -59.9 | 0 | 0 | 111.9 | I1508 L1516 L1525 I1537 L1538 R1543 T1547 S1548 C1551 L1554 | I1508-M1541 HydrophobicContact CD1-CB 4.5Å; I1508-M1541 HydrophobicContact CD1-CG 3.35Å; I1508-M1541 HydrophobicContact CD1-SD 4.42Å; I1508-M1541 HydrophobicContact CG1-CG 3.76Å; I1508-M1541 HydrophobicContact CG2-CG 4.37Å; L1516-M1541 HydrophobicContact CD2-SD 3.96Å; L1525-M1541 HydrophobicContact CD1-CE 3.81Å; I1537-M1541 HydrophobicContact CG2-CG 4.37Å; I1537-M1541 WeakPolarHBondContact O-CB 3.45Å; I1537-M1541 WeakPolarHBondContact O-CG 3.4Å; I1537-M1541 PolarHBondContact O-N 3.27Å; L1538-M1541 HydrophobicContact CD2-CE 3.59Å; L1538-M1541 HydrophobicContact CG-CE 4.42Å; M1541-R1543 VanDerWaalsContact C-N 3.33Å; M1541-T1547 PolarHBondContact O-OG1 3.5Å; M1541-S1548 WeakPolarHBondContact O-CA 3.41Å; M1541-S1548 PolarHBondContact O-N 3.01Å; M1541-C1551 HydrophobicContact CB-CB 4.1Å; M1541-L1554 HydrophobicContact CE-CD1 4.37Å |
| 1542 | S | 76 | Confident | 74 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69 | -29.6 | 175.4 | 80.3 | 0 | 0 | 0 | 0 | 112.4 | L1538 Q1539 E1540 I1579 P1580 | L1538-S1542 WeakPolarHBondContact O-CB 3.1Å; L1538-S1542 PolarHBondContact O-N 2.83Å; Q1539-S1542 WeakPolarHBondContact O-CB 3.47Å; Q1539-S1542 PolarHBondContact O-N 2.81Å; Q1539-S1542 PolarHBondContact O-OG 3.39Å; E1540-S1542 PolarHBondContact O-N 3.2Å; S1542-I1579 VanDerWaalsContact O-CA 3.32Å; S1542-I1579 WeakPolarHBondContact O-CA 3.49Å; S1542-P1580 WeakPolarHBondContact O-CD 3.37Å |
| 1543 | R | 76.4 | Confident | 74.1 | Confident | 134 Ų | 134 | 29 Ų | 29 | 51% | 0.506 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -78.8 | -32.6 | -174.7 | -73.2 | 170.9 | -177.3 | -177.3 | -0.8 | 114.4 | Q1539 E1540 M1541 | Q1539-R1543 WeakPolarHBondContact O-CG 3.35Å; Q1539-R1543 PolarHBondContact O-N 3.28Å; E1540-R1543 PolarHBondContact O-N 2.79Å; E1540-R1543 IonicContact OE1-CZ 3.85Å; E1540-R1543 IonicContact OE1-NE 3.05Å; E1540-R1543 IonicContact OE1-NH1 2.71Å; E1540-R1543 PolarHBondContact OE1-NH1 3.41Å; M1541-R1543 VanDerWaalsContact C-N 3.33Å |
| 1544 | Y | 75.7 | Confident | 73.9 | Confident | 79 Ų | 79 | 30.4 Ų | 30.4 | 31% | 0.31 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -95.1 | 130.6 | -173.3 | -70.4 | -83 | 0 | 0 | 0 | 112.6 | I1508 Q1509 E1540 A1546 T1547 S1548 | I1508-Y1544 HydrophobicContact CG2-CD2 3.77Å; I1508-Y1544 HydrophobicContact CG2-CG 4.33Å; Q1509-Y1544 HydrophobicContact CB-CE1 4.42Å; Q1509-Y1544 HydrophobicContact CG-CD1 4.43Å; Q1509-Y1544 HydrophobicContact CG-CD2 4.23Å; Q1509-Y1544 HydrophobicContact CG-CE1 3.81Å; Q1509-Y1544 HydrophobicContact CG-CE2 3.58Å; Q1509-Y1544 WeakPolarHBondContact CG-OH 3.41Å; Q1509-Y1544 PolarHBondContact NE2-OH 3.42Å; Q1509-Y1544 VanDerWaalsContact NE2-OH 3.15Å; E1540-Y1544 WeakPolarHBondContact O-CD2 3.35Å; E1540-Y1544 PolarHBondContact O-N 2.89Å; E1540-Y1544 WeakPolarHBondContact OE2-CE2 3.43Å; Y1544-A1546 PolarHBondContact O-N 3.4Å; Y1544-T1547 PolarHBondContact O-N 3.38Å; Y1544-T1547 PolarHBondContact O-OG1 3.24Å; Y1544-S1548 WeakPolarHBondContact O-CB 3.21Å; Y1544-S1548 PolarHBondContact O-N 2.95Å; Y1544-S1548 PolarHBondContact O-OG 3Å |
| 1545 | P | 70.1 | Confident | 73.7 | Confident | 60 Ų | 60 | 30.4 Ų | 30.4 | 39% | 0.39 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.8 | -49.2 | -174.4 | -25.5 | 33 | 0 | 0 | 0 | 113.7 | T1547 S1548 P1580 F1583 | P1545-T1547 PolarHBondContact O-N 3.12Å; P1545-T1547 VanDerWaalsContact O-N 3.11Å; P1545-S1548 PolarHBondContact O-N 3.45Å; P1545-S1548 PolarHBondContact O-OG 3.35Å; P1545-P1580 HydrophobicContact CG-CG 4.32Å; P1545-F1583 HydrophobicContact CB-CE2 3.97Å; P1545-F1583 WeakPolarHBondContact O-CE2 3.45Å; P1545-F1583 WeakPolarHBondContact O-CZ 3.32Å |
| 1546 | A | 71.2 | Confident | 73.5 | Confident | 43 Ų | 43 | 30.2 Ų | 30.2 | 36% | 0.355 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.7 | -26.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q1513 Y1544 | Q1513-A1546 PolarHBondContact NE2-O 3.02Å; Y1544-A1546 PolarHBondContact O-N 3.4Å |
| 1547 | T | 74.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -106.5 | -19.6 | -176.8 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | I1508 L1516 M1541 Y1544 P1545 A1549 L1550 C1551 | I1508-T1547 HydrophobicContact CB-CG2 4.4Å; I1508-T1547 HydrophobicContact CG1-CG2 4.49Å; I1508-T1547 HydrophobicContact CG2-CG2 4.23Å; L1516-T1547 HydrophobicContact CD1-CG2 3.55Å; M1541-T1547 PolarHBondContact O-OG1 3.5Å; Y1544-T1547 PolarHBondContact O-N 3.38Å; Y1544-T1547 PolarHBondContact O-OG1 3.24Å; P1545-T1547 PolarHBondContact O-N 3.12Å; P1545-T1547 VanDerWaalsContact O-N 3.11Å; T1547-A1549 PolarHBondContact O-N 3.44Å; T1547-A1549 VanDerWaalsContact O-N 3.16Å; T1547-L1550 WeakPolarHBondContact O-CB 3.5Å; T1547-L1550 PolarHBondContact O-N 3.45Å; T1547-C1551 PolarHBondContact O-N 3.15Å; T1547-C1551 VanDerWaalsContact O-N 3.11Å |
| 1548 | S | 75 | Confident | 71.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.5 | -27.7 | 177 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | M1541 Y1544 P1545 C1551 L1552 F1583 | M1541-S1548 WeakPolarHBondContact O-CA 3.41Å; M1541-S1548 PolarHBondContact O-N 3.01Å; Y1544-S1548 WeakPolarHBondContact O-CB 3.21Å; Y1544-S1548 PolarHBondContact O-N 2.95Å; Y1544-S1548 PolarHBondContact O-OG 3Å; P1545-S1548 PolarHBondContact O-N 3.45Å; P1545-S1548 PolarHBondContact O-OG 3.35Å; S1548-C1551 PolarHBondContact O-N 3.35Å; S1548-L1552 WeakPolarHBondContact O-CB 3.46Å; S1548-L1552 VanDerWaalsContact O-CG 3.26Å; S1548-L1552 WeakPolarHBondContact O-CG 3.37Å; S1548-L1552 PolarHBondContact O-N 2.85Å; S1548-F1583 WeakPolarHBondContact OG-CD2 3.47Å; S1548-F1583 VanDerWaalsContact OG-CE2 3.26Å; S1548-F1583 WeakPolarHBondContact OG-CE2 3.36Å |
| 1549 | A | 71.8 | Confident | 70.9 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 13% | 0.132 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1547 L1552 Q1553 F1583 | T1547-A1549 PolarHBondContact O-N 3.44Å; T1547-A1549 VanDerWaalsContact O-N 3.16Å; A1549-L1552 PolarHBondContact O-N 2.7Å; A1549-Q1553 WeakPolarHBondContact O-CG 3.27Å; A1549-Q1553 PolarHBondContact O-N 3.28Å; A1549-F1583 HydrophobicContact CB-CE1 3.97Å; A1549-F1583 HydrophobicContact CB-CZ 4.32Å |
| 1550 | L | 70.6 | Confident | 69.6 | Low | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.9 | -40.6 | 175.7 | -68.1 | 168.2 | 0 | 0 | 0 | 111.3 | Q1513 L1516 Q1517 L1520 T1547 L1552 Q1553 L1554 | Q1513-L1550 HydrophobicContact CB-CD1 4.27Å; Q1513-L1550 HydrophobicContact CG-CD1 4.13Å; L1516-L1550 HydrophobicContact CB-CD1 3.96Å; Q1517-L1550 HydrophobicContact CG-CD1 4.24Å; Q1517-L1550 HydrophobicContact CG-CD2 3.45Å; Q1517-L1550 VanDerWaalsContact CG-CD2 3.45Å; L1520-L1550 HydrophobicContact CD1-CB 4.26Å; T1547-L1550 WeakPolarHBondContact O-CB 3.5Å; T1547-L1550 PolarHBondContact O-N 3.45Å; L1550-L1552 VanDerWaalsContact C-N 3.34Å; L1550-L1552 PolarHBondContact O-N 3.14Å; L1550-Q1553 PolarHBondContact O-N 3.44Å; L1550-L1554 WeakPolarHBondContact O-CG 3.49Å; L1550-L1554 PolarHBondContact O-N 3.06Å |
| 1551 | C | 73.2 | Confident | 68.2 | Low | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.9 | -168.3 | 0 | 0 | 0 | 0 | 111.1 | M1541 T1547 S1548 L1554 I1555 | M1541-C1551 HydrophobicContact CB-CB 4.1Å; T1547-C1551 PolarHBondContact O-N 3.15Å; T1547-C1551 VanDerWaalsContact O-N 3.11Å; S1548-C1551 PolarHBondContact O-N 3.35Å; C1551-L1554 PolarHBondContact O-N 2.67Å; C1551-I1555 VanDerWaalsContact O-CG1 3.23Å; C1551-I1555 WeakPolarHBondContact O-CG1 3.33Å; C1551-I1555 PolarHBondContact O-N 3.28Å |
| 1552 | L | 73 | Confident | 66.9 | Low | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 174.1 | -76.7 | 167.6 | 0 | 0 | 0 | 112.3 | S1548 A1549 L1550 L1554 I1555 E1556 L1576 I1579 F1583 R1586 A1587 L1590 | S1548-L1552 WeakPolarHBondContact O-CB 3.46Å; S1548-L1552 VanDerWaalsContact O-CG 3.26Å; S1548-L1552 WeakPolarHBondContact O-CG 3.37Å; S1548-L1552 PolarHBondContact O-N 2.85Å; A1549-L1552 PolarHBondContact O-N 2.7Å; L1550-L1552 VanDerWaalsContact C-N 3.34Å; L1550-L1552 PolarHBondContact O-N 3.14Å; L1552-L1554 PolarHBondContact O-N 2.88Å; L1552-I1555 PolarHBondContact O-N 2.87Å; L1552-E1556 VanDerWaalsContact O-CB 3.27Å; L1552-E1556 WeakPolarHBondContact O-CB 3.39Å; L1552-E1556 VanDerWaalsContact O-CG 3.27Å; L1552-E1556 WeakPolarHBondContact O-CG 3.46Å; L1552-E1556 PolarHBondContact O-N 3.38Å; L1552-L1576 HydrophobicContact CD2-CD2 4.01Å; L1552-I1579 HydrophobicContact CD1-CD1 4.32Å; L1552-I1579 HydrophobicContact CD1-CG2 4.48Å; L1552-I1579 HydrophobicContact CD2-CD1 3.41Å; L1552-I1579 VanDerWaalsContact CD2-CD1 3.41Å; L1552-I1579 HydrophobicContact CG-CD1 3.8Å; L1552-F1583 HydrophobicContact CD1-CB 3.84Å; L1552-F1583 HydrophobicContact CD1-CG 4.48Å; L1552-R1586 HydrophobicContact CD1-CB 4.15Å; L1552-R1586 HydrophobicContact CD1-CG 4.28Å; L1552-A1587 HydrophobicContact CD2-CB 4.13Å; L1552-L1590 HydrophobicContact CD2-CD1 3.43Å; L1552-L1590 VanDerWaalsContact CD2-CD1 3.43Å |
| 1553 | Q | 71.9 | Confident | 65.6 | Low | 74 Ų | 74 | 50.6 Ų | 50.6 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 175.1 | -78.6 | 177.9 | -11.5 | 0 | 0 | 113.1 | A1549 L1550 K1557 | A1549-Q1553 WeakPolarHBondContact O-CG 3.27Å; A1549-Q1553 PolarHBondContact O-N 3.28Å; L1550-Q1553 PolarHBondContact O-N 3.44Å; Q1553-K1557 PolarHBondContact O-N 3.08Å |
| 1554 | L | 67.3 | Low | 64.5 | Low | 30 Ų | 30 | 45.4 Ų | 45.4 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 175.2 | -66.3 | 168.8 | 0 | 0 | 0 | 111.7 | L1520 L1526 M1541 L1550 C1551 L1552 K1557 E1558 | L1520-L1554 HydrophobicContact CB-CD2 4.48Å; L1520-L1554 HydrophobicContact CD1-CD1 3.76Å; L1520-L1554 HydrophobicContact CD1-CD2 4.38Å; L1520-L1554 HydrophobicContact CD1-CG 4.24Å; L1520-L1554 HydrophobicContact CD2-CD1 3.43Å; L1520-L1554 VanDerWaalsContact CD2-CD1 3.43Å; L1520-L1554 HydrophobicContact CD2-CD2 4.19Å; L1520-L1554 HydrophobicContact CD2-CG 4.36Å; L1520-L1554 HydrophobicContact CG-CD1 4.17Å; L1526-L1554 HydrophobicContact CD1-CB 4.25Å; M1541-L1554 HydrophobicContact CE-CD1 4.37Å; L1550-L1554 WeakPolarHBondContact O-CG 3.49Å; L1550-L1554 PolarHBondContact O-N 3.06Å; C1551-L1554 PolarHBondContact O-N 2.67Å; L1552-L1554 PolarHBondContact O-N 2.88Å; L1554-K1557 PolarHBondContact O-N 3.03Å; L1554-E1558 PolarHBondContact O-N 3.24Å |
| 1555 | I | 68.4 | Low | 63.7 | Low | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.4 | -40.7 | 178.7 | -66.8 | 170.7 | 0 | 0 | 0 | 110.1 | C1551 L1552 K1557 E1558 I1559 L1572 I1575 L1576 L1590 | C1551-I1555 VanDerWaalsContact O-CG1 3.23Å; C1551-I1555 WeakPolarHBondContact O-CG1 3.33Å; C1551-I1555 PolarHBondContact O-N 3.28Å; L1552-I1555 PolarHBondContact O-N 2.87Å; I1555-K1557 VanDerWaalsContact C-N 3.3Å; I1555-K1557 PolarHBondContact O-N 2.97Å; I1555-E1558 PolarHBondContact O-N 2.85Å; I1555-E1558 VanDerWaalsContact O-N 3.17Å; I1555-I1559 HydrophobicContact CG2-CD1 3.23Å; I1555-I1559 HydrophobicContact CG2-CG1 3.82Å; I1555-I1559 WeakPolarHBondContact O-CB 3.47Å; I1555-I1559 VanDerWaalsContact O-CG1 3.27Å; I1555-I1559 WeakPolarHBondContact O-CG1 3.46Å; I1555-I1559 PolarHBondContact O-N 3.07Å; I1555-L1572 HydrophobicContact CG1-CD2 4.04Å; I1555-L1572 HydrophobicContact CG2-CD2 4.23Å; I1555-I1575 HydrophobicContact CD1-CB 4.47Å; I1555-I1575 HydrophobicContact CD1-CG2 3.88Å; I1555-L1576 HydrophobicContact CD1-CD2 4.14Å; I1555-L1576 HydrophobicContact CD1-CG 4.39Å; I1555-L1576 HydrophobicContact CG2-CD2 4.23Å; I1555-L1576 HydrophobicContact CG2-CG 4.48Å; I1555-L1590 HydrophobicContact CB-CD1 4.45Å; I1555-L1590 HydrophobicContact CG2-CD1 3.99Å |
| 1556 | E | 67.7 | Low | 63.4 | Low | 46 Ų | 46 | 47.8 Ų | 47.8 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.5 | -44 | 173.7 | -86.1 | 164.3 | -168 | 0 | 0 | 111.3 | L1552 E1558 R1586 L1590 | L1552-E1556 VanDerWaalsContact O-CB 3.27Å; L1552-E1556 WeakPolarHBondContact O-CB 3.39Å; L1552-E1556 VanDerWaalsContact O-CG 3.27Å; L1552-E1556 WeakPolarHBondContact O-CG 3.46Å; L1552-E1556 PolarHBondContact O-N 3.38Å; E1556-E1558 VanDerWaalsContact C-N 3.35Å; E1556-E1558 PolarHBondContact O-N 3.42Å; E1556-R1586 IonicContact OE1-CZ 2.66Å; E1556-R1586 IonicContact OE1-NE 3.27Å; E1556-R1586 PolarHBondContact OE1-NE 2.65Å; E1556-R1586 IonicContact OE1-NH2 2.61Å; E1556-R1586 IonicContact OE2-CZ 3.6Å; E1556-R1586 IonicContact OE2-NE 3.81Å; E1556-R1586 IonicContact OE2-NH2 2.86Å; E1556-R1586 PolarHBondContact OE2-NH2 3Å; E1556-L1590 HydrophobicContact CG-CD1 3.85Å; E1556-L1590 HydrophobicContact CG-CD2 3.52Å; E1556-L1590 HydrophobicContact CG-CG 4.21Å |
| 1557 | K | 60.5 | Low | 63 | Low | 130 Ų | 130 | 48.9 Ų | 48.9 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -59.6 | -39 | 176.9 | -79.9 | -175.3 | 178.7 | -178.9 | 0 | 113.5 | Q1553 L1554 I1555 Q1882 | Q1553-K1557 PolarHBondContact O-N 3.08Å; L1554-K1557 PolarHBondContact O-N 3.03Å; I1555-K1557 VanDerWaalsContact C-N 3.3Å; I1555-K1557 PolarHBondContact O-N 2.97Å; K1557-Q1882 WeakPolarHBondContact O-CG 2.97Å; K1557-Q1882 PolarHBondContact O-NE2 2.76Å; K1557-Q1882 VanDerWaalsContact O-NE2 3.17Å; K1557-Q1882 PolarHBondContact O-OE1 2.76Å |
| 1558 | E | 57.4 | Low | 62.6 | Low | 25 Ų | 25 | 51.8 Ų | 51.8 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -90 | -22.9 | -174.7 | -84.1 | -77 | 130.4 | 0 | 0 | 114.8 | L1526 L1554 I1555 E1556 N1564 | L1526-E1558 HydrophobicContact CD1-CB 4.2Å; L1526-E1558 HydrophobicContact CD1-CG 3.7Å; L1554-E1558 PolarHBondContact O-N 3.24Å; I1555-E1558 PolarHBondContact O-N 2.85Å; I1555-E1558 VanDerWaalsContact O-N 3.17Å; E1556-E1558 VanDerWaalsContact C-N 3.35Å; E1556-E1558 PolarHBondContact O-N 3.42Å; E1558-N1564 PolarHBondContact O-ND2 3.43Å; E1558-N1564 PolarHBondContact OE2-ND2 2.94Å |
| 1559 | I | 56.9 | Low | 62.5 | Low | 20 Ų | 20 | 52.5 Ų | 52.5 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.3 | -30.4 | -170.8 | -81.5 | -177.8 | 0 | 0 | 0 | 113.9 | I1555 A1561 L1572 L1576 L1590 S1593 L1594 | I1555-I1559 HydrophobicContact CG2-CD1 3.23Å; I1555-I1559 HydrophobicContact CG2-CG1 3.82Å; I1555-I1559 WeakPolarHBondContact O-CB 3.47Å; I1555-I1559 VanDerWaalsContact O-CG1 3.27Å; I1555-I1559 WeakPolarHBondContact O-CG1 3.46Å; I1555-I1559 PolarHBondContact O-N 3.07Å; I1559-A1561 PolarHBondContact O-N 2.91Å; I1559-A1561 VanDerWaalsContact O-N 3.15Å; I1559-L1572 HydrophobicContact CG1-CD1 4.13Å; I1559-L1576 HydrophobicContact CD1-CD1 4.41Å; I1559-L1590 HydrophobicContact CD1-CB 3.9Å; I1559-L1590 HydrophobicContact CD1-CD1 4.45Å; I1559-L1590 HydrophobicContact CD1-CD2 4.17Å; I1559-L1590 HydrophobicContact CD1-CG 4.39Å; I1559-S1593 WeakPolarHBondContact CG2-OG 3.43Å; I1559-L1594 HydrophobicContact CD1-CD1 3.96Å; I1559-L1594 HydrophobicContact CD1-CD2 4.34Å; I1559-L1594 HydrophobicContact CD1-CG 4.05Å; I1559-L1594 HydrophobicContact CG1-CD2 4.24Å; I1559-L1594 HydrophobicContact CG1-CG 4.48Å |
| 1560 | D | 50.6 | Low | 62.6 | Low | 83 Ų | 83 | 53.6 Ų | 53.6 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -5.6 | -177.1 | -73.1 | -27.9 | 0 | 0 | 0 | 114.2 | R1562 A1883 | D1560-R1562 PolarHBondContact O-N 2.88Å; D1560-R1562 VanDerWaalsContact O-N 3.11Å; D1560-A1883 HydrophobicContact CB-CB 4Å |
| 1561 | A | 47.9 | Very low | 62.6 | Low | 8 Ų | 8 | 54.4 Ų | 54.4 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | trans | -80.7 | 86.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1559 N1563 N1564 P1881 | I1559-A1561 PolarHBondContact O-N 2.91Å; I1559-A1561 VanDerWaalsContact O-N 3.15Å; A1561-N1563 PolarHBondContact O-N 3.34Å; A1561-N1564 PolarHBondContact O-N 3.2Å; A1561-N1564 VanDerWaalsContact O-N 3.13Å; A1561-P1881 WeakPolarHBondContact CB-O 3.44Å | ||
| 1562 | R | 47.9 | Very low | 62.7 | Low | 172 Ų | 172 | 54.7 Ų | 54.7 | 65% | 0.649 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 7.2 | 174.6 | -66.2 | -178.7 | 179.8 | -177.5 | 0.6 | 115.8 | D1560 | D1560-R1562 PolarHBondContact O-N 2.88Å; D1560-R1562 VanDerWaalsContact O-N 3.11Å |
| 1563 | N | 48.8 | Very low | 62.8 | Low | 132 Ų | 132 | 55.3 Ų | 55.3 | 71% | 0.706 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 10.3 | -179.6 | -78.5 | -8.7 | 0 | 0 | 0 | 114.7 | A1561 R1598 | A1561-N1563 PolarHBondContact O-N 3.34Å; N1563-R1598 PolarHBondContact OD1-NH1 2.9Å |
| 1564 | N | 53.9 | Low | 63 | Low | 24 Ų | 24 | 59.8 Ų | 59.8 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | trans | -67.6 | 144.2 | -179.1 | -81.3 | -3.5 | 0 | 0 | 0 | 114 | E1558 A1561 Q1569 | E1558-N1564 PolarHBondContact O-ND2 3.43Å; E1558-N1564 PolarHBondContact OE2-ND2 2.94Å; A1561-N1564 PolarHBondContact O-N 3.2Å; A1561-N1564 VanDerWaalsContact O-N 3.13Å; N1564-Q1569 HydrophobicContact CB-CG 4.07Å | ||
| 1565 | N | 58.6 | Low | 63.4 | Low | 118 Ų | 118 | 58.5 Ų | 58.5 | 63% | 0.631 | 28% | 0.279 | S | S | * | . | trans | -60.5 | 145.1 | -179.8 | -151.3 | -5.1 | 0 | 0 | 0 | 111 | S1567 K1568 Q1569 | N1565-S1567 PolarHBondContact O-N 2.71Å; N1565-K1568 PolarHBondContact O-N 3.42Å; N1565-K1568 VanDerWaalsContact O-N 3.14Å; N1565-Q1569 PolarHBondContact O-N 2.92Å | ||
| 1566 | I | 65.5 | Low | 63.8 | Low | 72 Ų | 72 | 58.4 Ų | 58.4 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.7 | -38.4 | -175.1 | -76.4 | 172.2 | 0 | 0 | 0 | 112 | Q1569 L1570 H1599 | I1566-Q1569 PolarHBondContact O-N 2.99Å; I1566-L1570 HydrophobicContact CG2-CD1 3.69Å; I1566-L1570 HydrophobicContact CG2-CG 4.26Å; I1566-L1570 WeakPolarHBondContact O-CG 3.23Å; I1566-L1570 PolarHBondContact O-N 3.4Å; I1566-H1599 HydrophobicContact CG1-CB 4.28Å |
| 1567 | S | 62.6 | Low | 64.2 | Low | 65 Ų | 65 | 64.2 Ų | 64.2 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 179 | 53.2 | 0 | 0 | 0 | 0 | 112 | N1565 Q1569 L1570 Q1571 | N1565-S1567 PolarHBondContact O-N 2.71Å; S1567-Q1569 PolarHBondContact O-N 2.86Å; S1567-L1570 PolarHBondContact O-N 3.28Å; S1567-Q1571 WeakPolarHBondContact O-CB 2.82Å; S1567-Q1571 PolarHBondContact O-N 3.3Å |
| 1568 | K | 65.8 | Low | 64.8 | Low | 62 Ų | 62 | 59.6 Ų | 59.6 | 27% | 0.27 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 178 | -77.5 | -168.9 | 167.5 | -167.4 | 0 | 111.4 | D1527 N1565 L1570 Q1571 L1572 | D1527-K1568 IonicContact OD1-NZ 2.92Å; D1527-K1568 PolarHBondContact OD1-NZ 3.01Å; N1565-K1568 PolarHBondContact O-N 3.42Å; N1565-K1568 VanDerWaalsContact O-N 3.14Å; K1568-L1570 PolarHBondContact O-N 2.86Å; K1568-Q1571 PolarHBondContact O-N 3.44Å; K1568-L1572 WeakPolarHBondContact O-CG 3.4Å; K1568-L1572 PolarHBondContact O-N 2.74Å |
| 1569 | Q | 71.4 | Confident | 65.8 | Low | 14 Ų | 14 | 58.9 Ų | 58.9 | 7% | 0.065 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 178.8 | -70.2 | -173.3 | -17.3 | 0 | 0 | 113.4 | N1564 N1565 I1566 S1567 Q1571 L1572 L1573 H1599 V1602 | N1564-Q1569 HydrophobicContact CB-CG 4.07Å; N1565-Q1569 PolarHBondContact O-N 2.92Å; I1566-Q1569 PolarHBondContact O-N 2.99Å; S1567-Q1569 PolarHBondContact O-N 2.86Å; Q1569-Q1571 VanDerWaalsContact C-N 3.29Å; Q1569-Q1571 PolarHBondContact O-N 3.45Å; Q1569-L1572 PolarHBondContact O-N 3.21Å; Q1569-L1573 PolarHBondContact O-N 2.76Å; Q1569-L1573 VanDerWaalsContact O-N 3.16Å; Q1569-H1599 PolarHBondContact OE1-CD2 3.03Å; Q1569-V1602 HydrophobicContact CB-CG1 4.13Å; Q1569-V1602 HydrophobicContact CB-CG2 4.02Å |
| 1570 | L | 73.9 | Confident | 66.5 | Low | 40 Ų | 40 | 59.2 Ų | 59.2 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.6 | -33.7 | 175 | -72 | 171.8 | 0 | 0 | 0 | 112.1 | I1566 S1567 K1568 R1574 L1601 V1602 L1605 | I1566-L1570 HydrophobicContact CG2-CD1 3.69Å; I1566-L1570 HydrophobicContact CG2-CG 4.26Å; I1566-L1570 WeakPolarHBondContact O-CG 3.23Å; I1566-L1570 PolarHBondContact O-N 3.4Å; S1567-L1570 PolarHBondContact O-N 3.28Å; K1568-L1570 PolarHBondContact O-N 2.86Å; L1570-R1574 PolarHBondContact O-N 3.38Å; L1570-L1601 HydrophobicContact CD1-CD2 3.99Å; L1570-L1601 HydrophobicContact CD2-CD2 3.98Å; L1570-V1602 HydrophobicContact CD2-CG2 4.03Å; L1570-V1602 HydrophobicContact CG-CG2 4.21Å; L1570-L1605 HydrophobicContact CD2-CD1 3.71Å |
| 1571 | Q | 72 | Confident | 67.4 | Low | 24 Ų | 24 | 57.8 Ų | 57.8 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.7 | -43 | 176.2 | -163.1 | 167.6 | 11.2 | 0 | 0 | 111.7 | S1529 S1567 K1568 Q1569 L1573 R1574 I1575 | S1529-Q1571 PolarHBondContact O-NE2 3.2Å; S1529-Q1571 PolarHBondContact OG-OE1 3.31Å; S1567-Q1571 WeakPolarHBondContact O-CB 2.82Å; S1567-Q1571 PolarHBondContact O-N 3.3Å; K1568-Q1571 PolarHBondContact O-N 3.44Å; Q1569-Q1571 VanDerWaalsContact C-N 3.29Å; Q1569-Q1571 PolarHBondContact O-N 3.45Å; Q1571-L1573 VanDerWaalsContact C-N 3.34Å; Q1571-L1573 PolarHBondContact O-N 3.35Å; Q1571-R1574 WeakPolarHBondContact O-CB 3.48Å; Q1571-R1574 PolarHBondContact O-N 3.44Å; Q1571-R1574 VanDerWaalsContact O-N 3.12Å; Q1571-I1575 HydrophobicContact CG-CD1 4.5Å; Q1571-I1575 WeakPolarHBondContact O-CG1 3.21Å; Q1571-I1575 PolarHBondContact O-N 3.43Å; Q1571-I1575 VanDerWaalsContact O-N 3.15Å |
| 1572 | L | 74.9 | Confident | 68.4 | Low | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58 | -43 | 174.1 | -68.6 | 172.3 | 0 | 0 | 0 | 112.2 | L1526 I1555 I1559 K1568 Q1569 R1574 I1575 L1576 | L1526-L1572 HydrophobicContact CD1-CD2 4.46Å; L1526-L1572 HydrophobicContact CD2-CD2 3.97Å; I1555-L1572 HydrophobicContact CG1-CD2 4.04Å; I1555-L1572 HydrophobicContact CG2-CD2 4.23Å; I1559-L1572 HydrophobicContact CG1-CD1 4.13Å; K1568-L1572 WeakPolarHBondContact O-CG 3.4Å; K1568-L1572 PolarHBondContact O-N 2.74Å; Q1569-L1572 PolarHBondContact O-N 3.21Å; L1572-R1574 VanDerWaalsContact C-N 3.32Å; L1572-R1574 PolarHBondContact O-N 2.92Å; L1572-I1575 PolarHBondContact O-N 3.43Å; L1572-L1576 WeakPolarHBondContact O-CG 3.33Å; L1572-L1576 PolarHBondContact O-N 2.89Å |
| 1573 | L | 75.7 | Confident | 69.6 | Low | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 175.4 | -82 | 173 | 0 | 0 | 0 | 113.2 | Q1569 Q1571 R1577 L1594 V1602 L1605 A1606 | Q1569-L1573 PolarHBondContact O-N 2.76Å; Q1569-L1573 VanDerWaalsContact O-N 3.16Å; Q1571-L1573 VanDerWaalsContact C-N 3.34Å; Q1571-L1573 PolarHBondContact O-N 3.35Å; L1573-R1577 PolarHBondContact O-N 3.17Å; L1573-L1594 HydrophobicContact CD2-CB 4.33Å; L1573-L1594 HydrophobicContact CD2-CD1 3.65Å; L1573-L1594 HydrophobicContact CG-CD1 3.97Å; L1573-V1602 HydrophobicContact CD1-CB 4.39Å; L1573-V1602 HydrophobicContact CD1-CG1 3.68Å; L1573-V1602 WeakPolarHBondContact CD1-O 3.27Å; L1573-L1605 HydrophobicContact CD1-CB 4.09Å; L1573-A1606 HydrophobicContact CD1-CB 4.31Å; L1573-A1606 HydrophobicContact CD2-CB 3.73Å |
| 1574 | R | 76 | Confident | 70.8 | Confident | 169 Ų | 169 | 47 Ų | 47 | 64% | 0.638 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.3 | -39.7 | 176.2 | -74.1 | 179.7 | -177 | 173.6 | 2.5 | 111.8 | L1570 Q1571 L1572 | L1570-R1574 PolarHBondContact O-N 3.38Å; Q1571-R1574 WeakPolarHBondContact O-CB 3.48Å; Q1571-R1574 PolarHBondContact O-N 3.44Å; Q1571-R1574 VanDerWaalsContact O-N 3.12Å; L1572-R1574 VanDerWaalsContact C-N 3.32Å; L1572-R1574 PolarHBondContact O-N 2.92Å |
| 1575 | I | 74.8 | Confident | 71.5 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69 | -45.2 | 179.3 | -61.2 | 162.7 | 0 | 0 | 0 | 110.6 | L1538 I1555 Q1571 L1572 R1577 G1578 | L1538-I1575 HydrophobicContact CB-CD1 3.99Å; L1538-I1575 HydrophobicContact CB-CG1 4.28Å; L1538-I1575 HydrophobicContact CB-CG2 4.5Å; L1538-I1575 HydrophobicContact CD1-CD1 3.93Å; L1538-I1575 HydrophobicContact CG-CD1 4.43Å; I1555-I1575 HydrophobicContact CD1-CB 4.47Å; I1555-I1575 HydrophobicContact CD1-CG2 3.88Å; Q1571-I1575 HydrophobicContact CG-CD1 4.5Å; Q1571-I1575 WeakPolarHBondContact O-CG1 3.21Å; Q1571-I1575 PolarHBondContact O-N 3.43Å; Q1571-I1575 VanDerWaalsContact O-N 3.15Å; L1572-I1575 PolarHBondContact O-N 3.43Å; I1575-R1577 PolarHBondContact O-N 3.33Å; I1575-G1578 PolarHBondContact O-N 3.21Å |
| 1576 | L | 77 | Confident | 72.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.6 | -37.8 | 178.5 | -75.7 | 169.8 | 0 | 0 | 0 | 112.4 | L1552 I1555 I1559 L1572 G1578 I1579 L1590 E1591 L1594 R1613 | L1552-L1576 HydrophobicContact CD2-CD2 4.01Å; I1555-L1576 HydrophobicContact CD1-CD2 4.14Å; I1555-L1576 HydrophobicContact CD1-CG 4.39Å; I1555-L1576 HydrophobicContact CG2-CD2 4.23Å; I1555-L1576 HydrophobicContact CG2-CG 4.48Å; I1559-L1576 HydrophobicContact CD1-CD1 4.41Å; L1572-L1576 WeakPolarHBondContact O-CG 3.33Å; L1572-L1576 PolarHBondContact O-N 2.89Å; L1576-G1578 PolarHBondContact O-N 3.36Å; L1576-I1579 HydrophobicContact CD2-CD1 3.76Å; L1576-I1579 WeakPolarHBondContact O-CG1 3.47Å; L1576-I1579 PolarHBondContact O-N 3.41Å; L1576-L1590 HydrophobicContact CD1-CB 4.3Å; L1576-L1590 HydrophobicContact CD2-CB 4.18Å; L1576-L1590 HydrophobicContact CD2-CD1 4.13Å; L1576-E1591 HydrophobicContact CB-CG 4.27Å; L1576-E1591 HydrophobicContact CD1-CG 4.1Å; L1576-L1594 HydrophobicContact CD1-CD1 3.44Å; L1576-L1594 VanDerWaalsContact CD1-CD1 3.44Å; L1576-R1613 PolarHBondContact O-NH2 2.88Å |
| 1577 | R | 76.7 | Confident | 72.6 | Confident | 169 Ų | 169 | 41 Ų | 41 | 64% | 0.638 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.8 | 179.3 | -156.2 | 177.1 | -170.2 | 176.5 | 7.1 | 113.8 | L1573 I1575 D1612 | L1573-R1577 PolarHBondContact O-N 3.17Å; I1575-R1577 PolarHBondContact O-N 3.33Å; R1577-D1612 IonicContact CZ-OD2 2.65Å; R1577-D1612 IonicContact NH2-OD2 2.62Å; R1577-D1612 PolarHBondContact NH2-OD2 2.81Å |
| 1578 | G | 72.4 | Confident | 73.2 | Confident | 32 Ų | 32 | 38.2 Ų | 38.2 | 33% | 0.33 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -5.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | I1575 L1576 | I1575-G1578 PolarHBondContact O-N 3.21Å; L1576-G1578 PolarHBondContact O-N 3.36Å |
| 1579 | I | 78.6 | Confident | 73.4 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | trans | -76 | 131.6 | -169.7 | -61.2 | 176.9 | 0 | 0 | 0 | 113.6 | S1542 L1552 L1576 F1583 A1587 R1613 | S1542-I1579 VanDerWaalsContact O-CA 3.32Å; S1542-I1579 WeakPolarHBondContact O-CA 3.49Å; L1552-I1579 HydrophobicContact CD1-CD1 4.32Å; L1552-I1579 HydrophobicContact CD1-CG2 4.48Å; L1552-I1579 HydrophobicContact CD2-CD1 3.41Å; L1552-I1579 VanDerWaalsContact CD2-CD1 3.41Å; L1552-I1579 HydrophobicContact CG-CD1 3.8Å; L1576-I1579 HydrophobicContact CD2-CD1 3.76Å; L1576-I1579 WeakPolarHBondContact O-CG1 3.47Å; L1576-I1579 PolarHBondContact O-N 3.41Å; I1579-F1583 HydrophobicContact CG2-CB 4.1Å; I1579-A1587 HydrophobicContact CB-CB 4.19Å; I1579-A1587 HydrophobicContact CD1-CB 3.84Å; I1579-A1587 HydrophobicContact CG2-CB 4.01Å; I1579-R1613 PolarHBondContact O-NH1 2.93Å; I1579-R1613 VanDerWaalsContact O-NH1 3.11Å | ||
| 1580 | P | 72.3 | Confident | 73.4 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | trans | -66.7 | 162.3 | -177.4 | 26.3 | -36.1 | 0 | 0 | 0 | 113.8 | S1542 P1545 T1582 F1583 S1584 | S1542-P1580 WeakPolarHBondContact O-CD 3.37Å; P1545-P1580 HydrophobicContact CG-CG 4.32Å; P1580-T1582 PolarHBondContact O-N 2.66Å; P1580-T1582 VanDerWaalsContact O-N 3.11Å; P1580-F1583 PolarHBondContact O-N 3.45Å; P1580-S1584 PolarHBondContact O-N 3.42Å | ||
| 1581 | A | 68.6 | Low | 73.5 | Confident | 53 Ų | 53 | 38.3 Ų | 38.3 | 44% | 0.438 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -58.5 | -26.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1583 S1584 L1620 | A1581-F1583 PolarHBondContact O-N 3.17Å; A1581-S1584 VanDerWaalsContact O-CB 3.26Å; A1581-S1584 WeakPolarHBondContact O-CB 3.49Å; A1581-S1584 PolarHBondContact O-N 3.24Å; A1581-S1584 PolarHBondContact O-OG 3.37Å; A1581-L1620 HydrophobicContact CB-CD1 4.11Å |
| 1582 | T | 69.8 | Low | 73.4 | Confident | 57 Ų | 57 | 38 Ų | 38 | 35% | 0.35 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -63.6 | -34.7 | -178.7 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | P1580 S1628 D1629 | P1580-T1582 PolarHBondContact O-N 2.66Å; P1580-T1582 VanDerWaalsContact O-N 3.11Å; T1582-S1628 WeakPolarHBondContact O-CB 3.44Å; T1582-D1629 PolarHBondContact O-N 3.27Å |
| 1583 | F | 72.5 | Confident | 73.1 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 11% | 0.105 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -109.7 | 16 | 177.5 | -61 | -86.3 | 0 | 0 | 0 | 112.4 | P1545 S1548 A1549 L1552 I1579 P1580 A1581 V1585 R1586 A1587 D1629 | P1545-F1583 HydrophobicContact CB-CE2 3.97Å; P1545-F1583 WeakPolarHBondContact O-CE2 3.45Å; P1545-F1583 WeakPolarHBondContact O-CZ 3.32Å; S1548-F1583 WeakPolarHBondContact OG-CD2 3.47Å; S1548-F1583 VanDerWaalsContact OG-CE2 3.26Å; S1548-F1583 WeakPolarHBondContact OG-CE2 3.36Å; A1549-F1583 HydrophobicContact CB-CE1 3.97Å; A1549-F1583 HydrophobicContact CB-CZ 4.32Å; L1552-F1583 HydrophobicContact CD1-CB 3.84Å; L1552-F1583 HydrophobicContact CD1-CG 4.48Å; I1579-F1583 HydrophobicContact CG2-CB 4.1Å; P1580-F1583 PolarHBondContact O-N 3.45Å; A1581-F1583 PolarHBondContact O-N 3.17Å; F1583-V1585 PolarHBondContact O-N 3.43Å; F1583-R1586 PolarHBondContact O-N 3.13Å; F1583-R1586 VanDerWaalsContact O-N 3.14Å; F1583-A1587 PolarHBondContact O-N 3.33Å; F1583-D1629 WeakPolarHBondContact CE1-OD2 3.3Å |
| 1584 | S | 73.4 | Confident | 72.9 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.6 | -31 | -175.7 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | P1580 A1581 L1588 R1613 L1617 | P1580-S1584 PolarHBondContact O-N 3.42Å; A1581-S1584 VanDerWaalsContact O-CB 3.26Å; A1581-S1584 WeakPolarHBondContact O-CB 3.49Å; A1581-S1584 PolarHBondContact O-N 3.24Å; A1581-S1584 PolarHBondContact O-OG 3.37Å; S1584-L1588 WeakPolarHBondContact O-CB 3.35Å; S1584-L1588 PolarHBondContact O-N 3.17Å; S1584-R1613 WeakPolarHBondContact O-CD 3.09Å; S1584-L1617 VanDerWaalsContact OG-CD2 3.25Å; S1584-L1617 WeakPolarHBondContact OG-CD2 3.09Å |
| 1585 | V | 69.7 | Low | 72.5 | Confident | 8 Ų | 8 | 31.6 Ų | 31.6 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -44.3 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | F1583 L1588 R1589 L1634 L1637 | F1583-V1585 PolarHBondContact O-N 3.43Å; V1585-L1588 PolarHBondContact O-N 3.2Å; V1585-R1589 PolarHBondContact O-N 3.06Å; V1585-L1634 HydrophobicContact CG1-CG 4.32Å; V1585-L1634 HydrophobicContact CG2-CD1 3.72Å; V1585-L1634 HydrophobicContact CG2-CG 4.01Å; V1585-L1637 HydrophobicContact CG1-CD1 4.04Å |
| 1586 | R | 71.6 | Confident | 71.9 | Confident | 81 Ų | 81 | 33.5 Ų | 33.5 | 31% | 0.306 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -71.6 | -41.6 | 179.4 | -162.4 | 171 | 173.8 | 164.7 | 1.2 | 111.6 | L1552 E1556 F1583 L1588 R1589 L1590 | L1552-R1586 HydrophobicContact CD1-CB 4.15Å; L1552-R1586 HydrophobicContact CD1-CG 4.28Å; E1556-R1586 IonicContact OE1-CZ 2.66Å; E1556-R1586 IonicContact OE1-NE 3.27Å; E1556-R1586 PolarHBondContact OE1-NE 2.65Å; E1556-R1586 IonicContact OE1-NH2 2.61Å; E1556-R1586 IonicContact OE2-CZ 3.6Å; E1556-R1586 IonicContact OE2-NE 3.81Å; E1556-R1586 IonicContact OE2-NH2 2.86Å; E1556-R1586 PolarHBondContact OE2-NH2 3Å; F1583-R1586 PolarHBondContact O-N 3.13Å; F1583-R1586 VanDerWaalsContact O-N 3.14Å; R1586-L1588 VanDerWaalsContact C-N 3.33Å; R1586-L1588 PolarHBondContact O-N 3.22Å; R1586-R1589 VanDerWaalsContact O-CB 3.3Å; R1586-R1589 WeakPolarHBondContact O-CB 3.48Å; R1586-R1589 PolarHBondContact O-N 3.25Å; R1586-L1590 PolarHBondContact O-N 3.43Å |
| 1587 | A | 74.8 | Confident | 71.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1552 I1579 F1583 R1589 L1590 E1591 | L1552-A1587 HydrophobicContact CD2-CB 4.13Å; I1579-A1587 HydrophobicContact CB-CB 4.19Å; I1579-A1587 HydrophobicContact CD1-CB 3.84Å; I1579-A1587 HydrophobicContact CG2-CB 4.01Å; F1583-A1587 PolarHBondContact O-N 3.33Å; A1587-R1589 VanDerWaalsContact C-N 3.3Å; A1587-R1589 PolarHBondContact O-N 2.96Å; A1587-L1590 PolarHBondContact O-N 3.07Å; A1587-E1591 WeakPolarHBondContact O-CG 3.19Å; A1587-E1591 PolarHBondContact O-N 3.07Å |
| 1588 | L | 74.4 | Confident | 70.4 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -35.6 | 175.9 | -170.4 | 122.6 | 0 | 0 | 0 | 111.3 | S1584 V1585 R1586 L1590 E1591 I1592 V1610 R1613 M1614 L1637 | S1584-L1588 WeakPolarHBondContact O-CB 3.35Å; S1584-L1588 PolarHBondContact O-N 3.17Å; V1585-L1588 PolarHBondContact O-N 3.2Å; R1586-L1588 VanDerWaalsContact C-N 3.33Å; R1586-L1588 PolarHBondContact O-N 3.22Å; L1588-L1590 VanDerWaalsContact C-N 3.34Å; L1588-L1590 PolarHBondContact O-N 3.48Å; L1588-E1591 PolarHBondContact O-N 3.22Å; L1588-I1592 HydrophobicContact CD2-CD1 3.52Å; L1588-I1592 HydrophobicContact CG-CD1 3.95Å; L1588-I1592 VanDerWaalsContact O-CB 3.31Å; L1588-I1592 WeakPolarHBondContact O-CB 3.08Å; L1588-I1592 WeakPolarHBondContact O-CD1 3.42Å; L1588-I1592 WeakPolarHBondContact O-CG1 3.4Å; L1588-I1592 PolarHBondContact O-N 3.06Å; L1588-V1610 HydrophobicContact CD1-CG1 4.29Å; L1588-R1613 HydrophobicContact CD1-CB 4.31Å; L1588-R1613 HydrophobicContact CD1-CG 4.23Å; L1588-M1614 HydrophobicContact CD1-CG 3.74Å; L1588-L1637 HydrophobicContact CD2-CD2 3.55Å |
| 1589 | R | 70.7 | Confident | 69.9 | Low | 103 Ų | 103 | 36.4 Ų | 36.4 | 39% | 0.389 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.1 | -45 | 172 | -156.6 | 179.8 | -168.9 | -174.7 | 5.2 | 111.8 | V1585 R1586 A1587 I1592 S1593 L1637 D1640 | V1585-R1589 PolarHBondContact O-N 3.06Å; R1586-R1589 VanDerWaalsContact O-CB 3.3Å; R1586-R1589 WeakPolarHBondContact O-CB 3.48Å; R1586-R1589 PolarHBondContact O-N 3.25Å; A1587-R1589 VanDerWaalsContact C-N 3.3Å; A1587-R1589 PolarHBondContact O-N 2.96Å; R1589-I1592 PolarHBondContact O-N 3.12Å; R1589-S1593 PolarHBondContact O-N 3.47Å; R1589-L1637 HydrophobicContact CB-CD1 3.61Å; R1589-L1637 HydrophobicContact CG-CD1 3.79Å; R1589-D1640 IonicContact CZ-OD2 3.41Å; R1589-D1640 IonicContact NE-OD2 2.93Å; R1589-D1640 IonicContact NH2-OD2 2.75Å; R1589-D1640 PolarHBondContact NH2-OD2 3.13Å |
| 1590 | L | 72.5 | Confident | 69.2 | Low | 14 Ų | 14 | 43.2 Ų | 43.2 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.5 | -40.3 | 179.7 | -60.6 | 176.6 | 0 | 0 | 0 | 112.9 | L1552 I1555 E1556 I1559 L1576 R1586 A1587 L1588 I1592 S1593 L1594 | L1552-L1590 HydrophobicContact CD2-CD1 3.43Å; L1552-L1590 VanDerWaalsContact CD2-CD1 3.43Å; I1555-L1590 HydrophobicContact CB-CD1 4.45Å; I1555-L1590 HydrophobicContact CG2-CD1 3.99Å; E1556-L1590 HydrophobicContact CG-CD1 3.85Å; E1556-L1590 HydrophobicContact CG-CD2 3.52Å; E1556-L1590 HydrophobicContact CG-CG 4.21Å; I1559-L1590 HydrophobicContact CD1-CB 3.9Å; I1559-L1590 HydrophobicContact CD1-CD1 4.45Å; I1559-L1590 HydrophobicContact CD1-CD2 4.17Å; I1559-L1590 HydrophobicContact CD1-CG 4.39Å; L1576-L1590 HydrophobicContact CD1-CB 4.3Å; L1576-L1590 HydrophobicContact CD2-CB 4.18Å; L1576-L1590 HydrophobicContact CD2-CD1 4.13Å; R1586-L1590 PolarHBondContact O-N 3.43Å; A1587-L1590 PolarHBondContact O-N 3.07Å; L1588-L1590 VanDerWaalsContact C-N 3.34Å; L1588-L1590 PolarHBondContact O-N 3.48Å; L1590-I1592 VanDerWaalsContact C-N 3.26Å; L1590-I1592 PolarHBondContact O-N 3.09Å; L1590-S1593 WeakPolarHBondContact CA-OG 3.29Å; L1590-S1593 PolarHBondContact O-N 3.05Å; L1590-S1593 VanDerWaalsContact O-N 3.14Å; L1590-S1593 PolarHBondContact O-OG 3.28Å; L1590-L1594 PolarHBondContact O-N 3.3Å |
| 1591 | E | 75.4 | Confident | 69 | Low | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 172.4 | -71.1 | 173.4 | 169.7 | 0 | 0 | 110.6 | L1576 A1587 L1588 S1593 L1594 C1595 V1610 R1613 | L1576-E1591 HydrophobicContact CB-CG 4.27Å; L1576-E1591 HydrophobicContact CD1-CG 4.1Å; A1587-E1591 WeakPolarHBondContact O-CG 3.19Å; A1587-E1591 PolarHBondContact O-N 3.07Å; L1588-E1591 PolarHBondContact O-N 3.22Å; E1591-S1593 VanDerWaalsContact C-N 3.33Å; E1591-S1593 PolarHBondContact O-N 3.39Å; E1591-L1594 PolarHBondContact O-N 3.34Å; E1591-C1595 PolarHBondContact O-N 3.29Å; E1591-C1595 PolarHBondContact O-SG 3.33Å; E1591-V1610 HydrophobicContact CB-CG2 3.64Å; E1591-R1613 VanDerWaalsContact CD-NE 3.34Å; E1591-R1613 IonicContact OE1-CZ 3.65Å; E1591-R1613 IonicContact OE1-NE 2.92Å; E1591-R1613 PolarHBondContact OE1-NE 2.89Å; E1591-R1613 VanDerWaalsContact OE1-NE 3.14Å; E1591-R1613 IonicContact OE1-NH2 3.69Å; E1591-R1613 PolarHBondContact OE1-NH2 3.43Å; E1591-R1613 IonicContact OE2-CZ 3.02Å; E1591-R1613 IonicContact OE2-NE 3.09Å; E1591-R1613 PolarHBondContact OE2-NE 3.44Å; E1591-R1613 IonicContact OE2-NH2 3.78Å |
| 1592 | I | 69.9 | Low | 69.2 | Low | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -34.6 | 175.9 | -70.4 | 170.7 | 0 | 0 | 0 | 112.2 | L1588 R1589 L1590 C1595 V1610 V1641 Y1650 | L1588-I1592 HydrophobicContact CD2-CD1 3.52Å; L1588-I1592 HydrophobicContact CG-CD1 3.95Å; L1588-I1592 VanDerWaalsContact O-CB 3.31Å; L1588-I1592 WeakPolarHBondContact O-CB 3.08Å; L1588-I1592 WeakPolarHBondContact O-CD1 3.42Å; L1588-I1592 WeakPolarHBondContact O-CG1 3.4Å; L1588-I1592 PolarHBondContact O-N 3.06Å; R1589-I1592 PolarHBondContact O-N 3.12Å; L1590-I1592 VanDerWaalsContact C-N 3.26Å; L1590-I1592 PolarHBondContact O-N 3.09Å; I1592-C1595 WeakPolarHBondContact O-CB 3.5Å; I1592-C1595 PolarHBondContact O-N 3.22Å; I1592-V1610 HydrophobicContact CG1-CG1 4.34Å; I1592-V1610 HydrophobicContact CG1-CG2 3.93Å; I1592-V1641 HydrophobicContact CD1-CB 4.41Å; I1592-V1641 HydrophobicContact CD1-CG1 4.01Å; I1592-V1641 HydrophobicContact CD1-CG2 3.41Å; I1592-V1641 VanDerWaalsContact CD1-CG2 3.41Å; I1592-V1641 HydrophobicContact CG2-CG2 4.42Å; I1592-Y1650 HydrophobicContact CG2-CE2 4.16Å; I1592-Y1650 PolarHBondContact O-OH 3.44Å |
| 1593 | S | 68.8 | Low | 69.2 | Low | 44 Ų | 44 | 45.6 Ų | 45.6 | 31% | 0.308 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.3 | -38 | 173.6 | 75.7 | 0 | 0 | 0 | 0 | 112.4 | I1559 R1589 L1590 E1591 C1595 A1596 | I1559-S1593 WeakPolarHBondContact CG2-OG 3.43Å; R1589-S1593 PolarHBondContact O-N 3.47Å; L1590-S1593 WeakPolarHBondContact CA-OG 3.29Å; L1590-S1593 PolarHBondContact O-N 3.05Å; L1590-S1593 VanDerWaalsContact O-N 3.14Å; L1590-S1593 PolarHBondContact O-OG 3.28Å; E1591-S1593 VanDerWaalsContact C-N 3.33Å; E1591-S1593 PolarHBondContact O-N 3.39Å; S1593-C1595 VanDerWaalsContact C-N 3.3Å; S1593-C1595 PolarHBondContact O-N 3.18Å; S1593-A1596 VanDerWaalsContact O-CB 3.28Å; S1593-A1596 WeakPolarHBondContact O-CB 3.36Å; S1593-A1596 PolarHBondContact O-N 3.38Å |
| 1594 | L | 71.1 | Confident | 69 | Low | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.1 | -26 | 176.2 | -72.4 | 168.8 | 0 | 0 | 0 | 112.9 | I1559 L1573 L1576 L1590 E1591 A1596 S1597 A1606 | I1559-L1594 HydrophobicContact CD1-CD1 3.96Å; I1559-L1594 HydrophobicContact CD1-CD2 4.34Å; I1559-L1594 HydrophobicContact CD1-CG 4.05Å; I1559-L1594 HydrophobicContact CG1-CD2 4.24Å; I1559-L1594 HydrophobicContact CG1-CG 4.48Å; L1573-L1594 HydrophobicContact CD2-CB 4.33Å; L1573-L1594 HydrophobicContact CD2-CD1 3.65Å; L1573-L1594 HydrophobicContact CG-CD1 3.97Å; L1576-L1594 HydrophobicContact CD1-CD1 3.44Å; L1576-L1594 VanDerWaalsContact CD1-CD1 3.44Å; L1590-L1594 PolarHBondContact O-N 3.3Å; E1591-L1594 PolarHBondContact O-N 3.34Å; L1594-A1596 PolarHBondContact O-N 2.94Å; L1594-S1597 WeakPolarHBondContact O-CB 3.49Å; L1594-S1597 PolarHBondContact O-N 3.39Å; L1594-S1597 PolarHBondContact O-OG 3.33Å; L1594-A1606 HydrophobicContact CB-CB 4.17Å |
| 1595 | C | 67.7 | Low | 69.1 | Low | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.034 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17 | 169.8 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | E1591 I1592 S1593 R1603 A1606 Y1650 | E1591-C1595 PolarHBondContact O-N 3.29Å; E1591-C1595 PolarHBondContact O-SG 3.33Å; I1592-C1595 WeakPolarHBondContact O-CB 3.5Å; I1592-C1595 PolarHBondContact O-N 3.22Å; S1593-C1595 VanDerWaalsContact C-N 3.3Å; S1593-C1595 PolarHBondContact O-N 3.18Å; C1595-R1603 WeakPolarHBondContact O-CD 3.47Å; C1595-R1603 WeakPolarHBondContact O-CG 3.49Å; C1595-A1606 HydrophobicContact CB-CB 4.4Å; C1595-A1606 WeakPolarHBondContact SG-CB 3.49Å; C1595-Y1650 HydrophobicContact CB-CD1 3.88Å; C1595-Y1650 HydrophobicContact CB-CE1 3.11Å; C1595-Y1650 HydrophobicContact CB-CE2 4.18Å; C1595-Y1650 VanDerWaalsContact CB-OH 3.23Å; C1595-Y1650 WeakPolarHBondContact CB-OH 3.06Å |
| 1596 | A | 61.7 | Low | 69.5 | Low | 42 Ų | 42 | 51 Ų | 51 | 35% | 0.347 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1593 L1594 Y1650 | S1593-A1596 VanDerWaalsContact O-CB 3.28Å; S1593-A1596 WeakPolarHBondContact O-CB 3.36Å; S1593-A1596 PolarHBondContact O-N 3.38Å; L1594-A1596 PolarHBondContact O-N 2.94Å; A1596-Y1650 PolarHBondContact N-OH 3.06Å |
| 1597 | S | 64.1 | Low | 69.5 | Low | 17 Ų | 17 | 48.8 Ų | 48.8 | 12% | 0.119 | 23% | 0.229 | C | C | . | . | trans | -61.2 | 152.4 | -179.1 | 68.4 | 0 | 0 | 0 | 0 | 113.7 | L1594 H1599 V1602 | L1594-S1597 WeakPolarHBondContact O-CB 3.49Å; L1594-S1597 PolarHBondContact O-N 3.39Å; L1594-S1597 PolarHBondContact O-OG 3.33Å; S1597-H1599 VanDerWaalsContact C-N 3.28Å; S1597-H1599 PolarHBondContact O-N 2.59Å; S1597-H1599 PolarHBondContact OG-O 2.9Å; S1597-V1602 WeakPolarHBondContact OG-CB 3.01Å; S1597-V1602 WeakPolarHBondContact OG-CG1 3.47Å | ||
| 1598 | R | 59 | Low | 69.6 | Low | 174 Ų | 174 | 54.1 Ų | 54.1 | 66% | 0.657 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -72.8 | -18 | 178.5 | -64.3 | 179.2 | 176.7 | 163.6 | 1.2 | 113.2 | N1563 | N1563-R1598 PolarHBondContact OD1-NH1 2.9Š|
| 1599 | H | 60.8 | Low | 69.7 | Low | 70 Ų | 70 | 54.2 Ų | 54.2 | 32% | 0.324 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -97.5 | 118.3 | -174.7 | -61.2 | -63.7 | 0 | 0 | 0 | 111.4 | I1566 Q1569 S1597 L1601 V1602 R1603 | I1566-H1599 HydrophobicContact CG1-CB 4.28Å; Q1569-H1599 PolarHBondContact OE1-CD2 3.03Å; S1597-H1599 VanDerWaalsContact C-N 3.28Å; S1597-H1599 PolarHBondContact O-N 2.59Å; S1597-H1599 PolarHBondContact OG-O 2.9Å; H1599-L1601 VanDerWaalsContact C-N 3.31Å; H1599-L1601 PolarHBondContact O-N 2.93Å; H1599-V1602 HydrophobicContact CB-CB 4.39Å; H1599-V1602 HydrophobicContact CB-CG2 4.09Å; H1599-V1602 PolarHBondContact O-N 3.25Å; H1599-V1602 VanDerWaalsContact O-N 3.15Å; H1599-R1603 PolarHBondContact O-N 3.39Å |
| 1600 | Y | 63.6 | Low | 69.9 | Low | 154 Ų | 154 | 49.8 Ų | 49.8 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -52.7 | -43.1 | -175.2 | 177.5 | -90.4 | 0 | 0 | 0 | 113.9 | V1602 R1603 L1604 | Y1600-V1602 PolarHBondContact O-N 3.2Å; Y1600-R1603 VanDerWaalsContact CD2-NH2 3.26Å; Y1600-R1603 PolarHBondContact O-N 3.03Å; Y1600-L1604 PolarHBondContact O-N 3.45Å |
| 1601 | L | 68.5 | Low | 70 | Confident | 98 Ų | 98 | 50.4 Ų | 50.4 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.4 | -42.2 | -178.3 | -164.8 | 89.8 | 0 | 0 | 0 | 112.2 | L1570 H1599 L1604 L1605 | L1570-L1601 HydrophobicContact CD1-CD2 3.99Å; L1570-L1601 HydrophobicContact CD2-CD2 3.98Å; H1599-L1601 VanDerWaalsContact C-N 3.31Å; H1599-L1601 PolarHBondContact O-N 2.93Å; L1601-L1604 PolarHBondContact O-N 3.04Å; L1601-L1605 HydrophobicContact CG-CD1 4.44Å; L1601-L1605 WeakPolarHBondContact O-CG 2.86Å; L1601-L1605 PolarHBondContact O-N 3.36Å |
| 1602 | V | 72.1 | Confident | 69.9 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 179.7 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | Q1569 L1570 L1573 S1597 H1599 Y1600 L1604 L1605 A1606 | Q1569-V1602 HydrophobicContact CB-CG1 4.13Å; Q1569-V1602 HydrophobicContact CB-CG2 4.02Å; L1570-V1602 HydrophobicContact CD2-CG2 4.03Å; L1570-V1602 HydrophobicContact CG-CG2 4.21Å; L1573-V1602 HydrophobicContact CD1-CB 4.39Å; L1573-V1602 HydrophobicContact CD1-CG1 3.68Å; L1573-V1602 WeakPolarHBondContact CD1-O 3.27Å; S1597-V1602 WeakPolarHBondContact OG-CB 3.01Å; S1597-V1602 WeakPolarHBondContact OG-CG1 3.47Å; H1599-V1602 HydrophobicContact CB-CB 4.39Å; H1599-V1602 HydrophobicContact CB-CG2 4.09Å; H1599-V1602 PolarHBondContact O-N 3.25Å; H1599-V1602 VanDerWaalsContact O-N 3.15Å; Y1600-V1602 PolarHBondContact O-N 3.2Å; V1602-L1604 PolarHBondContact O-N 3.2Å; V1602-L1605 PolarHBondContact O-N 3.08Å; V1602-A1606 VanDerWaalsContact O-CB 3.3Å; V1602-A1606 WeakPolarHBondContact O-CB 3.32Å; V1602-A1606 PolarHBondContact O-N 2.98Å |
| 1603 | R | 70 | Confident | 70.4 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 34% | 0.34 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 176.2 | 175.6 | 176.8 | 55.5 | 167.4 | -4.1 | 113.1 | C1595 H1599 Y1600 L1605 A1606 E1607 | C1595-R1603 WeakPolarHBondContact O-CD 3.47Å; C1595-R1603 WeakPolarHBondContact O-CG 3.49Å; H1599-R1603 PolarHBondContact O-N 3.39Å; Y1600-R1603 VanDerWaalsContact CD2-NH2 3.26Å; Y1600-R1603 PolarHBondContact O-N 3.03Å; R1603-L1605 VanDerWaalsContact C-N 3.33Å; R1603-L1605 PolarHBondContact O-N 2.85Å; R1603-A1606 PolarHBondContact O-N 3.09Å; R1603-E1607 WeakPolarHBondContact O-CG 3.47Å; R1603-E1607 PolarHBondContact O-N 3.42Å |
| 1604 | L | 69.7 | Low | 70.4 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | -179.5 | -169.6 | 92.1 | 0 | 0 | 0 | 111.7 | Y1600 L1601 V1602 E1607 Q1608 | Y1600-L1604 PolarHBondContact O-N 3.45Å; L1601-L1604 PolarHBondContact O-N 3.04Å; V1602-L1604 PolarHBondContact O-N 3.2Å; L1604-E1607 PolarHBondContact O-N 3.44Å; L1604-Q1608 PolarHBondContact O-N 2.98Å; L1604-Q1608 VanDerWaalsContact O-N 3.17Å |
| 1605 | L | 75.6 | Confident | 70.5 | Confident | 72 Ų | 72 | 56 Ų | 56 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.3 | -36.6 | 178.9 | -69.1 | 173.1 | 0 | 0 | 0 | 112.1 | L1570 L1573 L1601 V1602 R1603 Q1608 A1609 | L1570-L1605 HydrophobicContact CD2-CD1 3.71Å; L1573-L1605 HydrophobicContact CD1-CB 4.09Å; L1601-L1605 HydrophobicContact CG-CD1 4.44Å; L1601-L1605 WeakPolarHBondContact O-CG 2.86Å; L1601-L1605 PolarHBondContact O-N 3.36Å; V1602-L1605 PolarHBondContact O-N 3.08Å; R1603-L1605 VanDerWaalsContact C-N 3.33Å; R1603-L1605 PolarHBondContact O-N 2.85Å; L1605-Q1608 PolarHBondContact O-N 3.1Å; L1605-A1609 PolarHBondContact O-N 3.47Å |
| 1606 | A | 76.7 | Confident | 70.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1573 L1594 C1595 V1602 R1603 Q1608 A1609 V1610 | L1573-A1606 HydrophobicContact CD1-CB 4.31Å; L1573-A1606 HydrophobicContact CD2-CB 3.73Å; L1594-A1606 HydrophobicContact CB-CB 4.17Å; C1595-A1606 HydrophobicContact CB-CB 4.4Å; C1595-A1606 WeakPolarHBondContact SG-CB 3.49Å; V1602-A1606 VanDerWaalsContact O-CB 3.3Å; V1602-A1606 WeakPolarHBondContact O-CB 3.32Å; V1602-A1606 PolarHBondContact O-N 2.98Å; R1603-A1606 PolarHBondContact O-N 3.09Å; A1606-Q1608 PolarHBondContact O-N 3.31Å; A1606-A1609 WeakPolarHBondContact O-CB 3.32Å; A1606-A1609 PolarHBondContact O-N 3.05Å; A1606-A1609 VanDerWaalsContact O-N 3.15Å; A1606-V1610 WeakPolarHBondContact O-CG2 3.44Å; A1606-V1610 PolarHBondContact O-N 3.01Å |
| 1607 | E | 71.6 | Confident | 70.9 | Confident | 36 Ų | 36 | 56 Ų | 56 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 175.8 | -77.8 | -173 | -151.7 | 0 | 0 | 112.4 | R1603 L1604 A1609 V1610 S1611 Y1650 S1651 | R1603-E1607 WeakPolarHBondContact O-CG 3.47Å; R1603-E1607 PolarHBondContact O-N 3.42Å; L1604-E1607 PolarHBondContact O-N 3.44Å; E1607-A1609 VanDerWaalsContact C-N 3.34Å; E1607-V1610 PolarHBondContact O-N 3.14Å; E1607-S1611 PolarHBondContact O-N 3.17Å; E1607-S1611 VanDerWaalsContact O-N 3.1Å; E1607-Y1650 HydrophobicContact CG-CD1 4.13Å; E1607-S1651 WeakPolarHBondContact OE2-CB 3.4Å; E1607-S1651 PolarHBondContact OE2-OG 2.95Å |
| 1608 | Q | 77.5 | Confident | 71 | Confident | 112 Ų | 112 | 57.4 Ų | 57.4 | 52% | 0.523 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 173 | -81.3 | -175.7 | -30.1 | 0 | 0 | 111.5 | L1604 L1605 A1606 S1611 D1612 | L1604-Q1608 PolarHBondContact O-N 2.98Å; L1604-Q1608 VanDerWaalsContact O-N 3.17Å; L1605-Q1608 PolarHBondContact O-N 3.1Å; A1606-Q1608 PolarHBondContact O-N 3.31Å; Q1608-S1611 PolarHBondContact O-N 3.19Å; Q1608-D1612 PolarHBondContact O-N 2.93Å |
| 1609 | A | 77.2 | Confident | 71.3 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1605 A1606 E1607 S1611 D1612 R1613 | L1605-A1609 PolarHBondContact O-N 3.47Å; A1606-A1609 WeakPolarHBondContact O-CB 3.32Å; A1606-A1609 PolarHBondContact O-N 3.05Å; A1606-A1609 VanDerWaalsContact O-N 3.15Å; E1607-A1609 VanDerWaalsContact C-N 3.34Å; A1609-S1611 PolarHBondContact O-N 3.07Å; A1609-D1612 PolarHBondContact O-N 3.26Å; A1609-R1613 WeakPolarHBondContact O-CB 3.45Å; A1609-R1613 PolarHBondContact O-N 3.34Å |
| 1610 | V | 75 | Confident | 71.5 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 176 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | L1588 E1591 I1592 A1606 E1607 R1613 M1614 | L1588-V1610 HydrophobicContact CD1-CG1 4.29Å; E1591-V1610 HydrophobicContact CB-CG2 3.64Å; I1592-V1610 HydrophobicContact CG1-CG1 4.34Å; I1592-V1610 HydrophobicContact CG1-CG2 3.93Å; A1606-V1610 WeakPolarHBondContact O-CG2 3.44Å; A1606-V1610 PolarHBondContact O-N 3.01Å; E1607-V1610 PolarHBondContact O-N 3.14Å; V1610-R1613 PolarHBondContact O-N 3.28Å; V1610-M1614 WeakPolarHBondContact O-CB 3.27Å; V1610-M1614 PolarHBondContact O-N 3.44Å |
| 1611 | S | 73.3 | Confident | 71.5 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -45.9 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | E1607 Q1608 A1609 M1614 N1615 | E1607-S1611 PolarHBondContact O-N 3.17Å; E1607-S1611 VanDerWaalsContact O-N 3.1Å; Q1608-S1611 PolarHBondContact O-N 3.19Å; A1609-S1611 PolarHBondContact O-N 3.07Å; S1611-M1614 PolarHBondContact O-N 3.3Å; S1611-N1615 VanDerWaalsContact O-CG 3.24Å; S1611-N1615 PolarHBondContact O-N 3.43Å; S1611-N1615 VanDerWaalsContact O-N 3.09Å; S1611-N1615 PolarHBondContact O-ND2 3.2Å; S1611-N1615 VanDerWaalsContact O-ND2 3.14Å |
| 1612 | D | 74.7 | Confident | 71 | Confident | 79 Ų | 79 | 47.6 Ų | 47.6 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 177 | -73.8 | -9.8 | 0 | 0 | 0 | 110.8 | R1577 Q1608 A1609 N1615 G1616 | R1577-D1612 IonicContact CZ-OD2 2.65Å; R1577-D1612 IonicContact NH2-OD2 2.62Å; R1577-D1612 PolarHBondContact NH2-OD2 2.81Å; Q1608-D1612 PolarHBondContact O-N 2.93Å; A1609-D1612 PolarHBondContact O-N 3.26Å; D1612-N1615 PolarHBondContact O-N 3.13Å; D1612-G1616 PolarHBondContact O-N 3Å; D1612-G1616 VanDerWaalsContact O-N 3.12Å |
| 1613 | R | 79.4 | Confident | 70.3 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | -179 | -169.4 | 175.9 | -61.2 | -82.5 | -1.6 | 112.8 | L1576 I1579 S1584 L1588 E1591 A1609 V1610 G1616 L1617 | L1576-R1613 PolarHBondContact O-NH2 2.88Å; I1579-R1613 PolarHBondContact O-NH1 2.93Å; I1579-R1613 VanDerWaalsContact O-NH1 3.11Å; S1584-R1613 WeakPolarHBondContact O-CD 3.09Å; L1588-R1613 HydrophobicContact CD1-CB 4.31Å; L1588-R1613 HydrophobicContact CD1-CG 4.23Å; E1591-R1613 VanDerWaalsContact CD-NE 3.34Å; E1591-R1613 IonicContact OE1-CZ 3.65Å; E1591-R1613 IonicContact OE1-NE 2.92Å; E1591-R1613 PolarHBondContact OE1-NE 2.89Å; E1591-R1613 VanDerWaalsContact OE1-NE 3.14Å; E1591-R1613 IonicContact OE1-NH2 3.69Å; E1591-R1613 PolarHBondContact OE1-NH2 3.43Å; E1591-R1613 IonicContact OE2-CZ 3.02Å; E1591-R1613 IonicContact OE2-NE 3.09Å; E1591-R1613 PolarHBondContact OE2-NE 3.44Å; E1591-R1613 IonicContact OE2-NH2 3.78Å; A1609-R1613 WeakPolarHBondContact O-CB 3.45Å; A1609-R1613 PolarHBondContact O-N 3.34Å; V1610-R1613 PolarHBondContact O-N 3.28Å; R1613-G1616 PolarHBondContact O-N 3.42Å; R1613-L1617 PolarHBondContact O-N 2.91Å |
| 1614 | M | 69.4 | Low | 69.7 | Low | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.054 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 175.8 | -81.2 | -154.7 | 124.2 | 0 | 0 | 113.5 | L1588 V1610 S1611 G1616 L1617 Q1618 C1657 V1658 M1661 | L1588-M1614 HydrophobicContact CD1-CG 3.74Å; V1610-M1614 WeakPolarHBondContact O-CB 3.27Å; V1610-M1614 PolarHBondContact O-N 3.44Å; S1611-M1614 PolarHBondContact O-N 3.3Å; M1614-G1616 PolarHBondContact O-N 3Å; M1614-L1617 PolarHBondContact O-N 3.45Å; M1614-Q1618 WeakPolarHBondContact O-CG 3.38Å; M1614-Q1618 PolarHBondContact O-N 2.94Å; M1614-C1657 HydrophobicContact CB-CB 4.17Å; M1614-C1657 HydrophobicContact SD-CB 4.1Å; M1614-V1658 VanDerWaalsContact CE-CA 3.43Å; M1614-V1658 HydrophobicContact CE-CB 3.77Å; M1614-V1658 HydrophobicContact CE-CG1 4.09Å; M1614-V1658 HydrophobicContact CE-CG2 3.43Å; M1614-V1658 VanDerWaalsContact CE-CG2 3.43Å; M1614-V1658 HydrophobicContact SD-CB 4.08Å; M1614-V1658 HydrophobicContact SD-CG2 3.37Å; M1614-V1658 WeakPolarHBondContact SD-CG2 3.09Å; M1614-V1658 PolarHBondContact SD-N 3.37Å; M1614-M1661 HydrophobicContact CE-CE 3.2Å; M1614-M1661 HydrophobicContact CG-CE 4.36Å; M1614-M1661 HydrophobicContact SD-CE 4.33Å |
| 1615 | N | 72.7 | Confident | 69 | Low | 63 Ų | 63 | 54.4 Ų | 54.4 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 174.5 | -69.8 | -28.3 | 0 | 0 | 0 | 110.6 | S1611 D1612 Q1618 C1619 C1657 | S1611-N1615 VanDerWaalsContact O-CG 3.24Å; S1611-N1615 PolarHBondContact O-N 3.43Å; S1611-N1615 VanDerWaalsContact O-N 3.09Å; S1611-N1615 PolarHBondContact O-ND2 3.2Å; S1611-N1615 VanDerWaalsContact O-ND2 3.14Å; D1612-N1615 PolarHBondContact O-N 3.13Å; N1615-Q1618 PolarHBondContact O-N 2.65Å; N1615-C1619 PolarHBondContact O-SG 3.22Å; N1615-C1657 PolarHBondContact OD1-SG 3.19Å |
| 1616 | G | 70.8 | Confident | 68.1 | Low | 40 Ų | 40 | 57.2 Ų | 57.2 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1612 R1613 M1614 Q1618 C1619 | D1612-G1616 PolarHBondContact O-N 3Å; D1612-G1616 VanDerWaalsContact O-N 3.12Å; R1613-G1616 PolarHBondContact O-N 3.42Å; M1614-G1616 PolarHBondContact O-N 3Å; G1616-Q1618 VanDerWaalsContact C-N 3.32Å; G1616-Q1618 PolarHBondContact O-N 2.75Å; G1616-C1619 PolarHBondContact O-N 3.07Å |
| 1617 | L | 68.5 | Low | 66.9 | Low | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.037 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 176.1 | -81.1 | 170.8 | 0 | 0 | 0 | 113.1 | S1584 R1613 M1614 C1619 L1620 M1661 | S1584-L1617 VanDerWaalsContact OG-CD2 3.25Å; S1584-L1617 WeakPolarHBondContact OG-CD2 3.09Å; R1613-L1617 PolarHBondContact O-N 2.91Å; M1614-L1617 PolarHBondContact O-N 3.45Å; L1617-C1619 PolarHBondContact O-N 3.03Å; L1617-L1620 HydrophobicContact CD2-CD1 3.96Å; L1617-L1620 PolarHBondContact O-N 3.18Å; L1617-M1661 HydrophobicContact CB-CE 4.26Å; L1617-M1661 HydrophobicContact CB-SD 4.25Å; L1617-M1661 HydrophobicContact CD1-CE 4.34Å |
| 1618 | Q | 64.6 | Low | 66.1 | Low | 47 Ų | 47 | 59 Ų | 59 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -22.6 | 177.2 | -75.8 | 179.5 | 9.6 | 0 | 0 | 113.6 | M1614 N1615 G1616 C1657 M1661 R1664 | M1614-Q1618 WeakPolarHBondContact O-CG 3.38Å; M1614-Q1618 PolarHBondContact O-N 2.94Å; N1615-Q1618 PolarHBondContact O-N 2.65Å; G1616-Q1618 VanDerWaalsContact C-N 3.32Å; G1616-Q1618 PolarHBondContact O-N 2.75Å; Q1618-C1657 PolarHBondContact NE2-O 2.97Å; Q1618-M1661 HydrophobicContact CG-CG 4.21Å; Q1618-R1664 PolarHBondContact O-NH1 3.47Å |
| 1619 | C | 65.9 | Low | 64.9 | Low | 115 Ų | 115 | 58.9 Ų | 58.9 | 78% | 0.777 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.4 | -179.9 | -67.4 | 0 | 0 | 0 | 0 | 114.1 | N1615 G1616 L1617 | N1615-C1619 PolarHBondContact O-SG 3.22Å; G1616-C1619 PolarHBondContact O-N 3.07Å; L1617-C1619 PolarHBondContact O-N 3.03Å |
| 1620 | L | 64.1 | Low | 63.7 | Low | 49 Ų | 49 | 59.8 Ų | 59.8 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -82.6 | 151.8 | -179.3 | -63.9 | 169.3 | 0 | 0 | 0 | 112.2 | A1581 L1617 E1624 L1625 | A1581-L1620 HydrophobicContact CB-CD1 4.11Å; L1617-L1620 HydrophobicContact CD2-CD1 3.96Å; L1617-L1620 PolarHBondContact O-N 3.18Å; L1620-E1624 HydrophobicContact CB-CB 4.49Å; L1620-L1625 HydrophobicContact CB-CD1 4.21Å |
| 1621 | S | 63.9 | Low | 62.6 | Low | 54 Ų | 54 | 64 Ų | 64 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | trans | -75.1 | 155.2 | 175.9 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | Q1623 E1624 L1625 | S1621-Q1623 PolarHBondContact O-N 3.27Å; S1621-Q1623 VanDerWaalsContact O-N 3.12Å; S1621-E1624 WeakPolarHBondContact CB-OE2 3.41Å; S1621-E1624 PolarHBondContact N-OE2 3.4Å; S1621-E1624 PolarHBondContact O-N 2.68Å; S1621-E1624 VanDerWaalsContact OG-CG 3.28Å; S1621-E1624 WeakPolarHBondContact OG-CG 3.4Å; S1621-E1624 PolarHBondContact OG-N 2.85Å; S1621-E1624 PolarHBondContact OG-OE2 3.13Å; S1621-L1625 PolarHBondContact O-N 2.82Å | ||
| 1622 | A | 58.7 | Low | 61.5 | Low | 72 Ų | 72 | 70.1 Ų | 70.1 | 60% | 0.595 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.9 | -23.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1626 | A1622-K1626 PolarHBondContact O-N 3.12Å |
| 1623 | Q | 57.4 | Low | 60.4 | Low | 170 Ų | 170 | 67.7 Ų | 67.7 | 79% | 0.794 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -79.5 | -36.5 | 174.1 | -75.8 | -179.7 | -21.7 | 0 | 0 | 112.4 | S1621 K1626 G1627 | S1621-Q1623 PolarHBondContact O-N 3.27Å; S1621-Q1623 VanDerWaalsContact O-N 3.12Å; Q1623-K1626 PolarHBondContact O-N 3.07Å; Q1623-G1627 PolarHBondContact O-N 3Å |
| 1624 | E | 56.7 | Low | 59 | Low | 114 Ų | 114 | 67.4 Ų | 67.4 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.3 | -33 | 175.6 | -70.7 | 162.2 | 154.1 | 0 | 0 | 111.9 | L1620 S1621 G1627 S1628 | L1620-E1624 HydrophobicContact CB-CB 4.49Å; S1621-E1624 WeakPolarHBondContact CB-OE2 3.41Å; S1621-E1624 PolarHBondContact N-OE2 3.4Å; S1621-E1624 PolarHBondContact O-N 2.68Å; S1621-E1624 VanDerWaalsContact OG-CG 3.28Å; S1621-E1624 WeakPolarHBondContact OG-CG 3.4Å; S1621-E1624 PolarHBondContact OG-N 2.85Å; S1621-E1624 PolarHBondContact OG-OE2 3.13Å; E1624-G1627 PolarHBondContact O-N 3.18Å; E1624-S1628 PolarHBondContact O-N 3.26Å |
| 1625 | L | 56.5 | Low | 58.1 | Low | 24 Ų | 24 | 69.3 Ų | 69.3 | 13% | 0.126 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 172.1 | -109.2 | 134.1 | 0 | 0 | 0 | 112.9 | L1620 S1621 G1627 S1628 L1634 | L1620-L1625 HydrophobicContact CB-CD1 4.21Å; S1621-L1625 PolarHBondContact O-N 2.82Å; L1625-G1627 VanDerWaalsContact C-N 3.28Å; L1625-G1627 PolarHBondContact O-N 2.95Å; L1625-S1628 PolarHBondContact O-N 3.42Å; L1625-S1628 PolarHBondContact O-OG 2.97Å; L1625-L1634 HydrophobicContact CD2-CD1 3.72Å |
| 1626 | K | 55.8 | Low | 57 | Low | 131 Ų | 131 | 70.6 Ų | 70.6 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -71.1 | -21 | 173.9 | -80.9 | 179.7 | 178.4 | 175.5 | 0 | 113.4 | A1622 Q1623 F1631 | A1622-K1626 PolarHBondContact O-N 3.12Å; Q1623-K1626 PolarHBondContact O-N 3.07Å; K1626-F1631 HydrophobicContact CG-CD2 4.03Å; K1626-F1631 HydrophobicContact CG-CE2 4.18Å; K1626-F1631 HydrophobicContact CG-CG 4.44Å |
| 1627 | G | 52.1 | Low | 56 | Low | 64 Ų | 64 | 69.4 Ų | 69.4 | 66% | 0.66 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1623 E1624 L1625 | Q1623-G1627 PolarHBondContact O-N 3Å; E1624-G1627 PolarHBondContact O-N 3.18Å; L1625-G1627 VanDerWaalsContact C-N 3.28Å; L1625-G1627 PolarHBondContact O-N 2.95Å |
| 1628 | S | 54.7 | Low | 55.2 | Low | 10 Ų | 10 | 70.7 Ų | 70.7 | 7% | 0.07 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -83 | 143.7 | 172.2 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | T1582 E1624 L1625 G1630 | T1582-S1628 WeakPolarHBondContact O-CB 3.44Å; E1624-S1628 PolarHBondContact O-N 3.26Å; L1625-S1628 PolarHBondContact O-N 3.42Å; L1625-S1628 PolarHBondContact O-OG 2.97Å; S1628-G1630 PolarHBondContact O-N 3.47Å |
| 1629 | D | 52.5 | Low | 54.4 | Low | 110 Ų | 110 | 71.2 Ų | 71.2 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -57.5 | 103.8 | 179.2 | -87.1 | -17.6 | 0 | 0 | 0 | 109.9 | T1582 F1583 | T1582-D1629 PolarHBondContact O-N 3.27Å; F1583-D1629 WeakPolarHBondContact CE1-OD2 3.3Å |
| 1630 | G | 52 | Low | 53.6 | Low | 28 Ų | 28 | 68.3 Ų | 68.3 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | trans | 101.2 | 60 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | S1628 H1632 G1633 L1634 | S1628-G1630 PolarHBondContact O-N 3.47Å; G1630-H1632 PolarHBondContact O-N 2.99Å; G1630-G1633 CarbonylContact O-C 3.58Å; G1630-G1633 WeakPolarHBondContact O-CA 3.41Å; G1630-G1633 PolarHBondContact O-N 3.31Å; G1630-L1634 PolarHBondContact O-N 2.96Å | ||
| 1631 | F | 50.2 | Low | 53 | Low | 97 Ų | 97 | 66.5 Ų | 66.5 | 43% | 0.425 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.5 | -36 | 158.1 | -163.7 | -92.7 | 0 | 0 | 0 | 111.2 | K1626 L1634 | K1626-F1631 HydrophobicContact CG-CD2 4.03Å; K1626-F1631 HydrophobicContact CG-CE2 4.18Å; K1626-F1631 HydrophobicContact CG-CG 4.44Å; F1631-L1634 PolarHBondContact O-N 3.35Å |
| 1632 | H | 51.2 | Low | 52.3 | Low | 156 Ų | 156 | 67.1 Ų | 67.1 | 72% | 0.722 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -69.8 | -36 | 168.2 | -113.6 | -68.3 | 0 | 0 | 0 | 112.3 | G1630 L1634 A1635 N1636 | G1630-H1632 PolarHBondContact O-N 2.99Å; H1632-L1634 VanDerWaalsContact C-N 3.28Å; H1632-L1634 PolarHBondContact O-N 3.34Å; H1632-A1635 PolarHBondContact O-N 3.44Å; H1632-N1636 PolarHBondContact O-N 2.88Å; H1632-N1636 VanDerWaalsContact O-N 3.13Å |
| 1633 | G | 51.3 | Low | 51.9 | Low | 27 Ų | 27 | 67 Ų | 67 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.9 | -29.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1630 N1636 L1637 | G1630-G1633 CarbonylContact O-C 3.58Å; G1630-G1633 WeakPolarHBondContact O-CA 3.41Å; G1630-G1633 PolarHBondContact O-N 3.31Å; G1633-N1636 PolarHBondContact O-N 3.44Å; G1633-L1637 WeakPolarHBondContact O-CA 3.3Å; G1633-L1637 WeakPolarHBondContact O-CB 3.36Å; G1633-L1637 PolarHBondContact O-N 3.4Å |
| 1634 | L | 50.4 | Low | 51.4 | Low | 27 Ų | 27 | 60.9 Ų | 60.9 | 14% | 0.141 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.5 | -31.9 | 176.1 | -119 | 154.8 | 0 | 0 | 0 | 111.7 | V1585 L1625 G1630 F1631 H1632 C1638 | V1585-L1634 HydrophobicContact CG1-CG 4.32Å; V1585-L1634 HydrophobicContact CG2-CD1 3.72Å; V1585-L1634 HydrophobicContact CG2-CG 4.01Å; L1625-L1634 HydrophobicContact CD2-CD1 3.72Å; G1630-L1634 PolarHBondContact O-N 2.96Å; F1631-L1634 PolarHBondContact O-N 3.35Å; H1632-L1634 VanDerWaalsContact C-N 3.28Å; H1632-L1634 PolarHBondContact O-N 3.34Å; L1634-C1638 WeakPolarHBondContact O-CB 3.33Å; L1634-C1638 PolarHBondContact O-N 3.12Å; L1634-C1638 PolarHBondContact O-SG 2.61Å |
| 1635 | A | 49.2 | Very low | 51 | Low | 51 Ų | 51 | 56.2 Ų | 56.2 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.8 | -44.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H1632 C1638 D1639 | H1632-A1635 PolarHBondContact O-N 3.44Å; A1635-C1638 WeakPolarHBondContact O-CB 3.47Å; A1635-C1638 PolarHBondContact O-N 3.29Å; A1635-D1639 PolarHBondContact O-N 2.93Å |
| 1636 | N | 50.5 | Low | 50.6 | Low | 90 Ų | 90 | 59.7 Ų | 59.7 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.8 | -33.5 | 175.6 | -69.3 | -7.5 | 0 | 0 | 0 | 112.7 | H1632 G1633 D1639 D1640 | H1632-N1636 PolarHBondContact O-N 2.88Å; H1632-N1636 VanDerWaalsContact O-N 3.13Å; G1633-N1636 PolarHBondContact O-N 3.44Å; N1636-D1639 CarbonylContact O-C 3.57Å; N1636-D1639 PolarHBondContact O-N 3.11Å; N1636-D1640 WeakPolarHBondContact O-CB 3.5Å; N1636-D1640 PolarHBondContact O-N 2.83Å |
| 1637 | L | 50.7 | Low | 50.1 | Low | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -76 | -32.5 | 174.6 | -169.8 | 135.1 | 0 | 0 | 0 | 109.7 | V1585 L1588 R1589 G1633 D1639 V1641 | V1585-L1637 HydrophobicContact CG1-CD1 4.04Å; L1588-L1637 HydrophobicContact CD2-CD2 3.55Å; R1589-L1637 HydrophobicContact CB-CD1 3.61Å; R1589-L1637 HydrophobicContact CG-CD1 3.79Å; G1633-L1637 WeakPolarHBondContact O-CA 3.3Å; G1633-L1637 WeakPolarHBondContact O-CB 3.36Å; G1633-L1637 PolarHBondContact O-N 3.4Å; L1637-D1639 VanDerWaalsContact C-N 3.32Å; L1637-V1641 HydrophobicContact CD2-CG2 3.65Å; L1637-V1641 HydrophobicContact CG-CG2 3.79Å; L1637-V1641 WeakPolarHBondContact O-CA 3.46Å; L1637-V1641 WeakPolarHBondContact O-CB 3.4Å; L1637-V1641 WeakPolarHBondContact O-CG2 3.38Å; L1637-V1641 PolarHBondContact O-N 3.18Å |
| 1638 | C | 51.3 | Low | 49.7 | Very low | 34 Ų | 34 | 55.5 Ų | 55.5 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 165.2 | -80.3 | 0 | 0 | 0 | 0 | 111.2 | L1634 A1635 E1642 | L1634-C1638 WeakPolarHBondContact O-CB 3.33Å; L1634-C1638 PolarHBondContact O-N 3.12Å; L1634-C1638 PolarHBondContact O-SG 2.61Å; A1635-C1638 WeakPolarHBondContact O-CB 3.47Å; A1635-C1638 PolarHBondContact O-N 3.29Å; C1638-E1642 WeakPolarHBondContact O-CA 3.43Å; C1638-E1642 WeakPolarHBondContact O-CB 3.5Å; C1638-E1642 PolarHBondContact O-N 3.27Å |
| 1639 | D | 48.2 | Very low | 49.4 | Very low | 59 Ų | 59 | 56.7 Ų | 56.7 | 32% | 0.316 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.7 | -45.3 | 174.7 | -76.3 | -14.3 | 0 | 0 | 0 | 112 | A1635 N1636 L1637 T1643 R1702 | A1635-D1639 PolarHBondContact O-N 2.93Å; N1636-D1639 CarbonylContact O-C 3.57Å; N1636-D1639 PolarHBondContact O-N 3.11Å; L1637-D1639 VanDerWaalsContact C-N 3.32Å; D1639-T1643 VanDerWaalsContact O-CB 3.31Å; D1639-T1643 WeakPolarHBondContact O-CB 3.39Å; D1639-T1643 VanDerWaalsContact O-CG2 3.24Å; D1639-T1643 WeakPolarHBondContact O-CG2 3.47Å; D1639-T1643 PolarHBondContact O-N 3.34Å; D1639-T1643 PolarHBondContact O-OG1 2.76Å; D1639-R1702 IonicContact OD2-NH1 3Å; D1639-R1702 PolarHBondContact OD2-NH1 3.42Å |
| 1640 | D | 48.9 | Very low | 49.3 | Very low | 54 Ų | 54 | 52.3 Ų | 52.3 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.6 | -37.2 | 176.9 | -84.1 | -6 | 0 | 0 | 0 | 112.1 | R1589 N1636 T1643 S1644 | R1589-D1640 IonicContact CZ-OD2 3.41Å; R1589-D1640 IonicContact NE-OD2 2.93Å; R1589-D1640 IonicContact NH2-OD2 2.75Å; R1589-D1640 PolarHBondContact NH2-OD2 3.13Å; N1636-D1640 WeakPolarHBondContact O-CB 3.5Å; N1636-D1640 PolarHBondContact O-N 2.83Å; D1640-T1643 VanDerWaalsContact C-OG1 3.32Å; D1640-T1643 VanDerWaalsContact CA-OG1 3.23Å; D1640-T1643 WeakPolarHBondContact CA-OG1 3.39Å; D1640-T1643 PolarHBondContact O-OG1 3.11Å; D1640-S1644 WeakPolarHBondContact O-CA 3.48Å; D1640-S1644 WeakPolarHBondContact O-CB 3.36Å; D1640-S1644 PolarHBondContact O-N 3.44Å; D1640-S1644 PolarHBondContact O-OG 3.37Å |
| 1641 | V | 50.9 | Low | 49.3 | Very low | 10 Ų | 10 | 53.4 Ų | 53.4 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -80.2 | -36 | 178.5 | 172.9 | 0 | 0 | 0 | 0 | 109.7 | I1592 L1637 I1645 | I1592-V1641 HydrophobicContact CD1-CB 4.41Å; I1592-V1641 HydrophobicContact CD1-CG1 4.01Å; I1592-V1641 HydrophobicContact CD1-CG2 3.41Å; I1592-V1641 VanDerWaalsContact CD1-CG2 3.41Å; I1592-V1641 HydrophobicContact CG2-CG2 4.42Å; L1637-V1641 HydrophobicContact CD2-CG2 3.65Å; L1637-V1641 HydrophobicContact CG-CG2 3.79Å; L1637-V1641 WeakPolarHBondContact O-CA 3.46Å; L1637-V1641 WeakPolarHBondContact O-CB 3.4Å; L1637-V1641 WeakPolarHBondContact O-CG2 3.38Å; L1637-V1641 PolarHBondContact O-N 3.18Å; V1641-I1645 HydrophobicContact CB-CD1 4.49Å; V1641-I1645 HydrophobicContact CG1-CD1 3.2Å; V1641-I1645 HydrophobicContact CG1-CG1 3.75Å; V1641-I1645 WeakPolarHBondContact O-CA 3.44Å; V1641-I1645 WeakPolarHBondContact O-CB 3.41Å; V1641-I1645 WeakPolarHBondContact O-CD1 3.43Å; V1641-I1645 WeakPolarHBondContact O-CG1 3.34Å; V1641-I1645 PolarHBondContact O-N 3.15Å |
| 1642 | E | 49.9 | Very low | 49.4 | Very low | 68 Ų | 68 | 52.9 Ų | 52.9 | 32% | 0.318 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.5 | -37.6 | 172.4 | -165.9 | 171.8 | -168.6 | 0 | 0 | 111 | C1638 R1646 | C1638-E1642 WeakPolarHBondContact O-CA 3.43Å; C1638-E1642 WeakPolarHBondContact O-CB 3.5Å; C1638-E1642 PolarHBondContact O-N 3.27Å; E1642-R1646 WeakPolarHBondContact O-CB 3.43Å; E1642-R1646 WeakPolarHBondContact O-CD 3.35Å; E1642-R1646 WeakPolarHBondContact O-CG 3.45Å; E1642-R1646 PolarHBondContact O-N 2.86Å; E1642-R1646 IonicContact OE1-CZ 3.7Å; E1642-R1646 IonicContact OE1-NE 3.68Å; E1642-R1646 IonicContact OE1-NH2 2.84Å; E1642-R1646 PolarHBondContact OE1-NH2 3.44Å; E1642-R1646 IonicContact OE2-NH2 3.63Å |
| 1643 | T | 49 | Very low | 49.6 | Very low | 69 Ų | 69 | 47.9 Ų | 47.9 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.1 | -42.3 | 172.3 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | D1639 D1640 R1646 C1647 | D1639-T1643 VanDerWaalsContact O-CB 3.31Å; D1639-T1643 WeakPolarHBondContact O-CB 3.39Å; D1639-T1643 VanDerWaalsContact O-CG2 3.24Å; D1639-T1643 WeakPolarHBondContact O-CG2 3.47Å; D1639-T1643 PolarHBondContact O-N 3.34Å; D1639-T1643 PolarHBondContact O-OG1 2.76Å; D1640-T1643 VanDerWaalsContact C-OG1 3.32Å; D1640-T1643 VanDerWaalsContact CA-OG1 3.23Å; D1640-T1643 WeakPolarHBondContact CA-OG1 3.39Å; D1640-T1643 PolarHBondContact O-OG1 3.11Å; T1643-R1646 PolarHBondContact O-N 2.96Å; T1643-C1647 PolarHBondContact O-N 3.19Å; T1643-C1647 PolarHBondContact O-SG 2.95Å |
| 1644 | S | 47.1 | Very low | 49.6 | Very low | 42 Ų | 42 | 47 Ų | 47 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.2 | -36.3 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | D1640 C1647 F1648 | D1640-S1644 WeakPolarHBondContact O-CA 3.48Å; D1640-S1644 WeakPolarHBondContact O-CB 3.36Å; D1640-S1644 PolarHBondContact O-N 3.44Å; D1640-S1644 PolarHBondContact O-OG 3.37Å; S1644-C1647 CarbonylContact O-C 3.59Å; S1644-C1647 PolarHBondContact O-N 3.16Å; S1644-F1648 WeakPolarHBondContact O-CB 3.25Å; S1644-F1648 WeakPolarHBondContact O-CD2 3.24Å; S1644-F1648 PolarHBondContact O-N 3.27Å |
| 1645 | I | 48.6 | Very low | 49.8 | Very low | 16 Ų | 16 | 46.6 Ų | 46.6 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 172.7 | -72.2 | 171.9 | 0 | 0 | 0 | 110.2 | V1641 C1647 F1648 N1649 Y1650 L1655 V1658 | V1641-I1645 HydrophobicContact CB-CD1 4.49Å; V1641-I1645 HydrophobicContact CG1-CD1 3.2Å; V1641-I1645 HydrophobicContact CG1-CG1 3.75Å; V1641-I1645 WeakPolarHBondContact O-CA 3.44Å; V1641-I1645 WeakPolarHBondContact O-CB 3.41Å; V1641-I1645 WeakPolarHBondContact O-CD1 3.43Å; V1641-I1645 WeakPolarHBondContact O-CG1 3.34Å; V1641-I1645 PolarHBondContact O-N 3.15Å; I1645-C1647 PolarHBondContact O-N 3.45Å; I1645-F1648 PolarHBondContact O-N 3.42Å; I1645-N1649 PolarHBondContact O-N 2.86Å; I1645-Y1650 HydrophobicContact CG1-CD2 3.9Å; I1645-Y1650 HydrophobicContact CG1-CE2 4.41Å; I1645-L1655 HydrophobicContact CG2-CD1 3.97Å; I1645-L1655 HydrophobicContact CG2-CD2 3.89Å; I1645-L1655 HydrophobicContact CG2-CG 3.93Å; I1645-V1658 HydrophobicContact CD1-CG2 4.35Å |
| 1646 | R | 48 | Very low | 50.2 | Low | 96 Ų | 96 | 50.6 Ų | 50.6 | 36% | 0.362 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.1 | -31.6 | 173.3 | -76.9 | 172.4 | -167.7 | -172.8 | 9.2 | 111.8 | E1642 T1643 | E1642-R1646 WeakPolarHBondContact O-CB 3.43Å; E1642-R1646 WeakPolarHBondContact O-CD 3.35Å; E1642-R1646 WeakPolarHBondContact O-CG 3.45Å; E1642-R1646 PolarHBondContact O-N 2.86Å; E1642-R1646 IonicContact OE1-CZ 3.7Å; E1642-R1646 IonicContact OE1-NE 3.68Å; E1642-R1646 IonicContact OE1-NH2 2.84Å; E1642-R1646 PolarHBondContact OE1-NH2 3.44Å; E1642-R1646 IonicContact OE2-NH2 3.63Å; T1643-R1646 PolarHBondContact O-N 2.96Å |
| 1647 | C | 45.6 | Very low | 50.6 | Low | 48 Ų | 48 | 47.1 Ų | 47.1 | 32% | 0.324 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -83.7 | -31.6 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 114.9 | T1643 S1644 I1645 | T1643-C1647 PolarHBondContact O-N 3.19Å; T1643-C1647 PolarHBondContact O-SG 2.95Å; S1644-C1647 CarbonylContact O-C 3.59Å; S1644-C1647 PolarHBondContact O-N 3.16Å; I1645-C1647 PolarHBondContact O-N 3.45Å |
| 1648 | F | 44.5 | Very low | 50.9 | Low | 59 Ų | 59 | 47.2 Ų | 47.2 | 26% | 0.259 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -124.9 | -0.3 | -165.8 | -67.4 | -76.1 | 0 | 0 | 0 | 116.6 | S1644 I1645 | S1644-F1648 WeakPolarHBondContact O-CB 3.25Å; S1644-F1648 WeakPolarHBondContact O-CD2 3.24Å; S1644-F1648 PolarHBondContact O-N 3.27Å; I1645-F1648 PolarHBondContact O-N 3.42Å |
| 1649 | N | 48.3 | Very low | 51.2 | Low | 35 Ų | 35 | 53.2 Ų | 53.2 | 19% | 0.187 | 28% | 0.283 | C | S | . | . | trans | 45.9 | 80.7 | 168.9 | -90.5 | 9.8 | 0 | 0 | 0 | 116.4 | I1645 T2437 | I1645-N1649 PolarHBondContact O-N 2.86Å; N1649-T2437 WeakPolarHBondContact ND2-CG2 3.46Å; N1649-T2437 PolarHBondContact ND2-OG1 2.92Å; N1649-T2437 PolarHBondContact OD1-OG1 2.86Å | ||
| 1650 | Y | 49.7 | Very low | 51.8 | Low | 18 Ų | 18 | 56.3 Ų | 56.3 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | trans | -83.5 | 160.8 | 168.4 | -57.7 | -51.4 | 0 | 0 | 0 | 112.7 | I1592 C1595 A1596 E1607 I1645 | I1592-Y1650 HydrophobicContact CG2-CE2 4.16Å; I1592-Y1650 PolarHBondContact O-OH 3.44Å; C1595-Y1650 HydrophobicContact CB-CD1 3.88Å; C1595-Y1650 HydrophobicContact CB-CE1 3.11Å; C1595-Y1650 HydrophobicContact CB-CE2 4.18Å; C1595-Y1650 VanDerWaalsContact CB-OH 3.23Å; C1595-Y1650 WeakPolarHBondContact CB-OH 3.06Å; A1596-Y1650 PolarHBondContact N-OH 3.06Å; E1607-Y1650 HydrophobicContact CG-CD1 4.13Å; I1645-Y1650 HydrophobicContact CG1-CD2 3.9Å; I1645-Y1650 HydrophobicContact CG1-CE2 4.41Å | ||
| 1651 | S | 52.3 | Low | 52.2 | Low | 52 Ų | 52 | 54.9 Ų | 54.9 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | trans | -54.7 | 149.5 | -177.8 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | E1607 A1653 A1654 L1655 | E1607-S1651 WeakPolarHBondContact OE2-CB 3.4Å; E1607-S1651 PolarHBondContact OE2-OG 2.95Å; S1651-A1653 PolarHBondContact O-N 3.05Å; S1651-A1654 PolarHBondContact O-N 3.31Å; S1651-L1655 PolarHBondContact O-N 3.07Å | ||
| 1652 | S | 52.6 | Low | 52.3 | Low | 86 Ų | 86 | 56.2 Ų | 56.2 | 60% | 0.601 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57.7 | -19.9 | -175.4 | 76.9 | 0 | 0 | 0 | 0 | 114.8 | K1656 | S1652-K1656 VanDerWaalsContact O-CB 3.28Å; S1652-K1656 WeakPolarHBondContact O-CB 3.48Å; S1652-K1656 PolarHBondContact O-N 3.15Å |
| 1653 | A | 54.2 | Low | 52.6 | Low | 51 Ų | 51 | 55.9 Ų | 55.9 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.1 | -50.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1651 L1655 K1656 C1657 | S1651-A1653 PolarHBondContact O-N 3.05Å; A1653-L1655 VanDerWaalsContact C-N 3.33Å; A1653-L1655 PolarHBondContact O-N 2.98Å; A1653-K1656 PolarHBondContact O-N 3.03Å; A1653-C1657 PolarHBondContact O-N 3.23Å; A1653-C1657 VanDerWaalsContact O-N 3.16Å |
| 1654 | A | 52.5 | Low | 52.8 | Low | 8 Ų | 8 | 60.3 Ų | 60.3 | 7% | 0.066 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S1651 K1656 C1657 V1658 | S1651-A1654 PolarHBondContact O-N 3.31Å; A1654-K1656 VanDerWaalsContact C-N 3.34Å; A1654-K1656 PolarHBondContact O-N 3.25Å; A1654-C1657 PolarHBondContact O-N 2.91Å; A1654-C1657 VanDerWaalsContact O-N 3.12Å; A1654-V1658 VanDerWaalsContact O-CG2 3.26Å; A1654-V1658 WeakPolarHBondContact O-CG2 3.21Å; A1654-V1658 PolarHBondContact O-N 3.4Å |
| 1655 | L | 53 | Low | 52.9 | Low | 18 Ų | 18 | 61 Ų | 61 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.6 | -38.9 | 174.7 | -103.1 | 163 | 0 | 0 | 0 | 113.9 | I1645 S1651 A1653 C1657 R1659 L2474 | I1645-L1655 HydrophobicContact CG2-CD1 3.97Å; I1645-L1655 HydrophobicContact CG2-CD2 3.89Å; I1645-L1655 HydrophobicContact CG2-CG 3.93Å; S1651-L1655 PolarHBondContact O-N 3.07Å; A1653-L1655 VanDerWaalsContact C-N 3.33Å; A1653-L1655 PolarHBondContact O-N 2.98Å; L1655-C1657 VanDerWaalsContact C-N 3.35Å; L1655-R1659 WeakPolarHBondContact O-CB 3.35Å; L1655-R1659 VanDerWaalsContact O-CG 3.29Å; L1655-R1659 WeakPolarHBondContact O-CG 3.24Å; L1655-R1659 PolarHBondContact O-N 2.69Å; L1655-L2474 HydrophobicContact CD1-CD1 4.22Å; L1655-L2474 HydrophobicContact CD1-CD2 3.89Å |
| 1656 | K | 58.9 | Low | 52.8 | Low | 135 Ų | 135 | 63.7 Ų | 63.7 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69 | -34.3 | 177.5 | -167.9 | 176.6 | -174.3 | 178.6 | 0 | 111.5 | S1652 A1653 A1654 K1660 | S1652-K1656 VanDerWaalsContact O-CB 3.28Å; S1652-K1656 WeakPolarHBondContact O-CB 3.48Å; S1652-K1656 PolarHBondContact O-N 3.15Å; A1653-K1656 PolarHBondContact O-N 3.03Å; A1654-K1656 VanDerWaalsContact C-N 3.34Å; A1654-K1656 PolarHBondContact O-N 3.25Å; K1656-K1660 WeakPolarHBondContact O-CB 3.44Å; K1656-K1660 VanDerWaalsContact O-CG 3.29Å; K1656-K1660 WeakPolarHBondContact O-CG 3.37Å; K1656-K1660 PolarHBondContact O-N 3.37Å; K1656-K1660 VanDerWaalsContact O-N 3.09Å |
| 1657 | C | 59.1 | Low | 52.8 | Low | 17 Ų | 17 | 62.3 Ų | 62.3 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -75.1 | -39.5 | 176.4 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | M1614 N1615 Q1618 A1653 A1654 L1655 M1661 | M1614-C1657 HydrophobicContact CB-CB 4.17Å; M1614-C1657 HydrophobicContact SD-CB 4.1Å; N1615-C1657 PolarHBondContact OD1-SG 3.19Å; Q1618-C1657 PolarHBondContact NE2-O 2.97Å; A1653-C1657 PolarHBondContact O-N 3.23Å; A1653-C1657 VanDerWaalsContact O-N 3.16Å; A1654-C1657 PolarHBondContact O-N 2.91Å; A1654-C1657 VanDerWaalsContact O-N 3.12Å; L1655-C1657 VanDerWaalsContact C-N 3.35Å; C1657-M1661 PolarHBondContact O-N 3.49Å |
| 1658 | V | 57.1 | Low | 52.7 | Low | 16 Ų | 16 | 66.2 Ų | 66.2 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.5 | -53.8 | 171 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | M1614 I1645 A1654 K1660 M1661 I1662 | M1614-V1658 VanDerWaalsContact CE-CA 3.43Å; M1614-V1658 HydrophobicContact CE-CB 3.77Å; M1614-V1658 HydrophobicContact CE-CG1 4.09Å; M1614-V1658 HydrophobicContact CE-CG2 3.43Å; M1614-V1658 VanDerWaalsContact CE-CG2 3.43Å; M1614-V1658 HydrophobicContact SD-CB 4.08Å; M1614-V1658 HydrophobicContact SD-CG2 3.37Å; M1614-V1658 WeakPolarHBondContact SD-CG2 3.09Å; M1614-V1658 PolarHBondContact SD-N 3.37Å; I1645-V1658 HydrophobicContact CD1-CG2 4.35Å; A1654-V1658 VanDerWaalsContact O-CG2 3.26Å; A1654-V1658 WeakPolarHBondContact O-CG2 3.21Å; A1654-V1658 PolarHBondContact O-N 3.4Å; V1658-K1660 VanDerWaalsContact C-N 3.34Å; V1658-K1660 PolarHBondContact O-N 2.84Å; V1658-M1661 WeakPolarHBondContact O-CB 3.32Å; V1658-M1661 PolarHBondContact O-N 3.49Å; V1658-I1662 HydrophobicContact CG1-CD1 3.96Å; V1658-I1662 WeakPolarHBondContact O-CG1 3.41Å; V1658-I1662 PolarHBondContact O-N 3.42Å |
| 1659 | R | 57.5 | Low | 52.4 | Low | 160 Ų | 160 | 67.9 Ų | 67.9 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.3 | -34.4 | -178.3 | -73.1 | 178.2 | 179.8 | 172.6 | 1.8 | 113.9 | L1655 M1661 I1662 A1663 | L1655-R1659 WeakPolarHBondContact O-CB 3.35Å; L1655-R1659 VanDerWaalsContact O-CG 3.29Å; L1655-R1659 WeakPolarHBondContact O-CG 3.24Å; L1655-R1659 PolarHBondContact O-N 2.69Å; R1659-M1661 VanDerWaalsContact C-N 3.32Å; R1659-I1662 PolarHBondContact O-N 3.19Å; R1659-A1663 PolarHBondContact O-N 3.37Å |
| 1660 | K | 60.8 | Low | 51.9 | Low | 124 Ų | 124 | 71.6 Ų | 71.6 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.1 | -31.8 | 173.5 | -85.2 | -179.1 | 174.3 | -171.6 | 0 | 112.9 | K1656 V1658 | K1656-K1660 WeakPolarHBondContact O-CB 3.44Å; K1656-K1660 VanDerWaalsContact O-CG 3.29Å; K1656-K1660 WeakPolarHBondContact O-CG 3.37Å; K1656-K1660 PolarHBondContact O-N 3.37Å; K1656-K1660 VanDerWaalsContact O-N 3.09Å; V1658-K1660 VanDerWaalsContact C-N 3.34Å; V1658-K1660 PolarHBondContact O-N 2.84Å |
| 1661 | M | 56.7 | Low | 51.6 | Low | 25 Ų | 25 | 77.7 Ų | 77.7 | 12% | 0.123 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -72.7 | -42 | 173.9 | -125.5 | -164.1 | -43.6 | 0 | 0 | 111 | M1614 L1617 Q1618 C1657 V1658 R1659 A1663 R1664 S1665 | M1614-M1661 HydrophobicContact CE-CE 3.2Å; M1614-M1661 HydrophobicContact CG-CE 4.36Å; M1614-M1661 HydrophobicContact SD-CE 4.33Å; L1617-M1661 HydrophobicContact CB-CE 4.26Å; L1617-M1661 HydrophobicContact CB-SD 4.25Å; L1617-M1661 HydrophobicContact CD1-CE 4.34Å; Q1618-M1661 HydrophobicContact CG-CG 4.21Å; C1657-M1661 PolarHBondContact O-N 3.49Å; V1658-M1661 WeakPolarHBondContact O-CB 3.32Å; V1658-M1661 PolarHBondContact O-N 3.49Å; R1659-M1661 VanDerWaalsContact C-N 3.32Å; M1661-A1663 PolarHBondContact O-N 3.02Å; M1661-R1664 WeakPolarHBondContact O-CA 3.36Å; M1661-R1664 WeakPolarHBondContact O-CB 3.36Å; M1661-R1664 PolarHBondContact O-N 3.13Å; M1661-S1665 PolarHBondContact O-N 2.61Å; M1661-S1665 VanDerWaalsContact O-N 3.17Å |
| 1662 | I | 53.5 | Low | 50.8 | Low | 37 Ų | 37 | 80.7 Ų | 80.7 | 19% | 0.19 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 174.5 | -66.2 | 169.2 | 0 | 0 | 0 | 111.2 | V1658 R1659 R1664 S1665 E1666 | V1658-I1662 HydrophobicContact CG1-CD1 3.96Å; V1658-I1662 WeakPolarHBondContact O-CG1 3.41Å; V1658-I1662 PolarHBondContact O-N 3.42Å; R1659-I1662 PolarHBondContact O-N 3.19Å; I1662-R1664 PolarHBondContact O-N 2.96Å; I1662-R1664 VanDerWaalsContact O-N 3.1Å; I1662-S1665 PolarHBondContact O-N 3.5Å; I1662-S1665 VanDerWaalsContact O-N 3.1Å; I1662-S1665 PolarHBondContact O-OG 3.35Å; I1662-E1666 VanDerWaalsContact CG2-CD 3.5Å; I1662-E1666 HydrophobicContact CG2-CG 3.92Å; I1662-E1666 WeakPolarHBondContact O-CB 3.44Å; I1662-E1666 WeakPolarHBondContact O-CG 3.29Å; I1662-E1666 PolarHBondContact O-N 2.94Å |
| 1663 | A | 55.2 | Low | 49.9 | Very low | 62 Ų | 62 | 82.3 Ų | 82.3 | 51% | 0.512 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.1 | -20 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1659 M1661 | R1659-A1663 PolarHBondContact O-N 3.37Å; M1661-A1663 PolarHBondContact O-N 3.02Å |
| 1664 | R | 53.2 | Low | 49.1 | Very low | 161 Ų | 161 | 85.5 Ų | 85.5 | 61% | 0.608 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -88 | -27.6 | 177.6 | -143.5 | -177.4 | -173.5 | -176.3 | 2.4 | 112.3 | Q1618 M1661 I1662 S1667 | Q1618-R1664 PolarHBondContact O-NH1 3.47Å; M1661-R1664 WeakPolarHBondContact O-CA 3.36Å; M1661-R1664 WeakPolarHBondContact O-CB 3.36Å; M1661-R1664 PolarHBondContact O-N 3.13Å; I1662-R1664 PolarHBondContact O-N 2.96Å; I1662-R1664 VanDerWaalsContact O-N 3.1Å; R1664-S1667 PolarHBondContact O-OG 3.44Å; R1664-S1667 VanDerWaalsContact O-OG 3.11Å |
| 1665 | S | 49.6 | Very low | 48.4 | Very low | 56 Ų | 56 | 88.5 Ų | 88.5 | 39% | 0.392 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -86 | -32.6 | 171.8 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | M1661 I1662 S1667 E1668 | M1661-S1665 PolarHBondContact O-N 2.61Å; M1661-S1665 VanDerWaalsContact O-N 3.17Å; I1662-S1665 PolarHBondContact O-N 3.5Å; I1662-S1665 VanDerWaalsContact O-N 3.1Å; I1662-S1665 PolarHBondContact O-OG 3.35Å; S1665-S1667 VanDerWaalsContact C-N 3.29Å; S1665-S1667 PolarHBondContact O-N 2.95Å; S1665-E1668 PolarHBondContact O-N 3.08Å |
| 1666 | E | 46.3 | Very low | 47.5 | Very low | 73 Ų | 73 | 95.1 Ų | 95.1 | 34% | 0.341 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.9 | -29.5 | 177.8 | -81.5 | 179.5 | 157.3 | 0 | 0 | 112.2 | I1662 E1668 L1669 E1670 | I1662-E1666 VanDerWaalsContact CG2-CD 3.5Å; I1662-E1666 HydrophobicContact CG2-CG 3.92Å; I1662-E1666 WeakPolarHBondContact O-CB 3.44Å; I1662-E1666 WeakPolarHBondContact O-CG 3.29Å; I1662-E1666 PolarHBondContact O-N 2.94Å; E1666-E1668 PolarHBondContact O-N 3.4Å; E1666-L1669 CarbonylContact O-C 3.59Å; E1666-L1669 PolarHBondContact O-N 3Å; E1666-E1670 HydrophobicContact CB-CG 4.46Å; E1666-E1670 WeakPolarHBondContact O-CB 3.33Å; E1666-E1670 WeakPolarHBondContact O-CG 3.46Å; E1666-E1670 PolarHBondContact O-N 3.41Å |
| 1667 | S | 48.6 | Very low | 46.5 | Very low | 67 Ų | 67 | 94 Ų | 94 | 47% | 0.469 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -17 | 174.7 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | R1664 S1665 | R1664-S1667 PolarHBondContact O-OG 3.44Å; R1664-S1667 VanDerWaalsContact O-OG 3.11Å; S1665-S1667 VanDerWaalsContact C-N 3.29Å; S1665-S1667 PolarHBondContact O-N 2.95Å |
| 1668 | E | 42.2 | Very low | 45.6 | Very low | 131 Ų | 131 | 97.2 Ų | 97.2 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -92.2 | -19.2 | 171 | -70.7 | -170.9 | 161.8 | 0 | 0 | 113.1 | S1665 E1666 | S1665-E1668 PolarHBondContact O-N 3.08Å; E1666-E1668 PolarHBondContact O-N 3.4Å |
| 1669 | L | 39.1 | Very low | 44.6 | Very low | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -101.7 | -23.8 | -179.9 | -83.6 | 162 | 0 | 0 | 0 | 113.8 | E1666 L1671 L1672 F1673 | E1666-L1669 CarbonylContact O-C 3.59Å; E1666-L1669 PolarHBondContact O-N 3Å; L1669-L1671 PolarHBondContact O-N 2.88Å; L1669-L1672 HydrophobicContact CD2-CD1 4.41Å; L1669-L1672 WeakPolarHBondContact O-CB 3.3Å; L1669-L1672 PolarHBondContact O-N 3.42Å; L1669-F1673 PolarHBondContact O-N 3.4Å |
| 1670 | E | 39 | Very low | 43.8 | Very low | 113 Ų | 113 | 96.7 Ų | 96.7 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -28.2 | 174.9 | -81 | -178.3 | 154.1 | 0 | 0 | 111.5 | E1666 L1672 F1673 D1674 | E1666-E1670 HydrophobicContact CB-CG 4.46Å; E1666-E1670 WeakPolarHBondContact O-CB 3.33Å; E1666-E1670 WeakPolarHBondContact O-CG 3.46Å; E1666-E1670 PolarHBondContact O-N 3.41Å; E1670-L1672 PolarHBondContact O-N 3.41Å; E1670-F1673 PolarHBondContact O-N 2.71Å; E1670-D1674 WeakPolarHBondContact O-CB 3.38Å; E1670-D1674 PolarHBondContact O-N 3.12Å |
| 1671 | L | 41.8 | Very low | 42.7 | Very low | 146 Ų | 146 | 94.8 Ų | 94.8 | 76% | 0.764 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -20 | 171 | -88 | 158.6 | 0 | 0 | 0 | 114.2 | L1669 | L1669-L1671 PolarHBondContact O-N 2.88Å |
| 1672 | L | 36 | Very low | 41.8 | Very low | 115 Ų | 115 | 102.8 Ų | 102.8 | 60% | 0.602 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -96.1 | -22.2 | 176.3 | -88.2 | 160.5 | 0 | 0 | 0 | 113.2 | L1669 E1670 S1675 | L1669-L1672 HydrophobicContact CD2-CD1 4.41Å; L1669-L1672 WeakPolarHBondContact O-CB 3.3Å; L1669-L1672 PolarHBondContact O-N 3.42Å; E1670-L1672 PolarHBondContact O-N 3.41Å; L1672-S1675 PolarHBondContact O-OG 3.43Å |
| 1673 | F | 34.6 | Very low | 41.2 | Very low | 119 Ų | 119 | 108.6 Ų | 108.6 | 52% | 0.522 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -95.6 | -27.9 | -179.1 | -84.2 | -80.3 | 0 | 0 | 0 | 113.8 | L1669 E1670 S1675 H1676 | L1669-F1673 PolarHBondContact O-N 3.4Å; E1670-F1673 PolarHBondContact O-N 2.71Å; F1673-S1675 PolarHBondContact O-N 3.07Å; F1673-H1676 PolarHBondContact O-N 2.84Å; F1673-H1676 VanDerWaalsContact O-N 3.17Å |
| 1674 | D | 35.6 | Very low | 40.9 | Very low | 119 Ų | 119 | 109.1 Ų | 109.1 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.8 | -17.9 | 176.1 | -94.1 | -15.3 | 0 | 0 | 0 | 113.6 | E1670 H1676 S1678 | E1670-D1674 WeakPolarHBondContact O-CB 3.38Å; E1670-D1674 PolarHBondContact O-N 3.12Å; D1674-H1676 VanDerWaalsContact C-N 3.34Å; D1674-S1678 PolarHBondContact O-OG 2.67Å |
| 1675 | S | 38.3 | Very low | 40.9 | Very low | 71 Ų | 71 | 104.8 Ų | 104.8 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -76.6 | -15.5 | 175 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | L1672 F1673 | L1672-S1675 PolarHBondContact O-OG 3.43Å; F1673-S1675 PolarHBondContact O-N 3.07Å |
| 1676 | H | 35 | Very low | 41.3 | Very low | 156 Ų | 156 | 102.8 Ų | 102.8 | 72% | 0.722 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -106.9 | -22.1 | -177.7 | -77.9 | -67 | 0 | 0 | 0 | 114.6 | F1673 D1674 | F1673-H1676 PolarHBondContact O-N 2.84Å; F1673-H1676 VanDerWaalsContact O-N 3.17Å; D1674-H1676 VanDerWaalsContact C-N 3.34Å |
| 1677 | L | 37.5 | Very low | 42.1 | Very low | 113 Ų | 113 | 103.9 Ų | 103.9 | 59% | 0.592 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -87.8 | -8.8 | 177.1 | -81.6 | 155.7 | 0 | 0 | 0 | 114.4 | A1679 | L1677-A1679 VanDerWaalsContact C-N 3.3Å; L1677-A1679 PolarHBondContact O-N 3.15Å |
| 1678 | S | 39.4 | Very low | 42.6 | Very low | 84 Ų | 84 | 106.1 Ų | 106.1 | 59% | 0.587 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 0.3 | -179.1 | 50.3 | 0 | 0 | 0 | 0 | 114.9 | D1674 | D1674-S1678 PolarHBondContact O-OG 2.67Š|
| 1679 | A | 37.1 | Very low | 43.6 | Very low | 94 Ų | 94 | 106.3 Ų | 106.3 | 78% | 0.777 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -9.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1677 | L1677-A1679 VanDerWaalsContact C-N 3.3Å; L1677-A1679 PolarHBondContact O-N 3.15Å |
| 1680 | S | 40.5 | Very low | 44.7 | Very low | 71 Ų | 71 | 103.3 Ų | 103.3 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -104.4 | 9.5 | -177.5 | 61.5 | 0 | 0 | 0 | 0 | 114.7 | K1682 | S1680-K1682 PolarHBondContact O-N 3.28Å; S1680-K1682 VanDerWaalsContact O-N 3.09Å |
| 1681 | S | 37.7 | Very low | 45.8 | Very low | 84 Ų | 84 | 98.6 Ų | 98.6 | 59% | 0.587 | 55% | 0.548 | S | S | * | . | trans | -87.3 | 53.6 | -172.4 | 75.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1682 | K | 37.9 | Very low | 46.8 | Very low | 193 Ų | 193 | 93.4 Ų | 93.4 | 84% | 0.839 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -147.6 | 112.1 | 161.3 | -70.4 | -167.9 | -179.8 | 172.2 | 0 | 111.2 | S1680 | S1680-K1682 PolarHBondContact O-N 3.28Å; S1680-K1682 VanDerWaalsContact O-N 3.09Å |
| 1683 | N | 41.7 | Very low | 48.1 | Very low | 158 Ų | 158 | 93.5 Ų | 93.5 | 85% | 0.845 | 52% | 0.518 | S | S | * | . | trans | 71 | 67.4 | 172.2 | -64.1 | -8.7 | 0 | 0 | 0 | 117.5 | S1685 | N1683-S1685 PolarHBondContact O-N 2.87Å; N1683-S1685 VanDerWaalsContact O-N 3.13Å | ||
| 1684 | T | 47.7 | Very low | 49.5 | Very low | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.454 | 51% | 0.51 | S | S | . | . | trans | -83.3 | 82.1 | 167.4 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1685 | S | 53.6 | Low | 50.7 | Low | 69 Ų | 69 | 86 Ų | 86 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | trans | -71.8 | 120.4 | 141.4 | 48.5 | 0 | 0 | 0 | 0 | 106.4 | N1683 N1687 | N1683-S1685 PolarHBondContact O-N 2.87Å; N1683-S1685 VanDerWaalsContact O-N 3.13Å; S1685-N1687 PolarHBondContact O-N 3.4Å; S1685-N1687 PolarHBondContact OG-ND2 2.83Å | ||
| 1686 | F | 58.7 | Low | 51.7 | Low | 15 Ų | 15 | 89.3 Ų | 89.3 | 7% | 0.066 | 49% | 0.485 | C | S | . | . | trans | -66.7 | 75.9 | 175.1 | -82 | -88.7 | 0 | 0 | 0 | 109.1 | I1691 F2552 D2555 L2556 F2559 | F1686-I1691 HydrophobicContact CD1-CG1 4.22Å; F1686-F2552 HydrophobicContact CE1-CE2 4Å; F1686-F2552 HydrophobicContact CZ-CE2 4.23Å; F1686-D2555 HydrophobicContact CE2-CB 4.47Å; F1686-L2556 HydrophobicContact CE1-CD1 4.11Å; F1686-L2556 HydrophobicContact CZ-CB 4.28Å; F1686-L2556 HydrophobicContact CZ-CD1 4.14Å; F1686-F2559 HydrophobicContact CB-CD1 3.87Å; F1686-F2559 HydrophobicContact CB-CD2 3.96Å; F1686-F2559 HydrophobicContact CB-CE1 3.64Å; F1686-F2559 HydrophobicContact CB-CE2 3.76Å; F1686-F2559 HydrophobicContact CB-CG 4.02Å; F1686-F2559 HydrophobicContact CB-CZ 3.6Å; F1686-F2559 HydrophobicContact CD2-CB 3.61Å; F1686-F2559 AromaticContact CD2-CD1 3.87Å; F1686-F2559 HydrophobicContact CD2-CD1 3.87Å; F1686-F2559 AromaticContact CD2-CD2 3.82Å; F1686-F2559 HydrophobicContact CD2-CD2 3.82Å; F1686-F2559 HydrophobicContact CD2-CE2 4.49Å; F1686-F2559 AromaticContact CD2-CG 3.47Å; F1686-F2559 HydrophobicContact CD2-CG 3.47Å; F1686-F2559 VanDerWaalsContact CD2-CG 3.47Å; F1686-F2559 HydrophobicContact CE2-CB 3.85Å; F1686-F2559 HydrophobicContact CE2-CG 4.2Å; F1686-F2559 AromaticContact CG-CD1 3.98Å; F1686-F2559 HydrophobicContact CG-CD1 3.98Å; F1686-F2559 HydrophobicContact CG-CD2 4.32Å; F1686-F2559 HydrophobicContact CG-CE1 4.24Å; F1686-F2559 HydrophobicContact CG-CG 4.01Å | ||
| 1687 | N | 61.3 | Low | 52.8 | Low | 95 Ų | 95 | 86.4 Ų | 86.4 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | trans | -93 | 157 | 173.5 | -60.4 | -15.5 | 0 | 0 | 0 | 108.5 | S1685 L1689 A1690 I1691 | S1685-N1687 PolarHBondContact O-N 3.4Å; S1685-N1687 PolarHBondContact OG-ND2 2.83Å; N1687-L1689 PolarHBondContact O-N 3.28Å; N1687-A1690 PolarHBondContact O-N 2.89Å; N1687-I1691 PolarHBondContact O-N 3.25Å | ||
| 1688 | K | 60 | Low | 53.6 | Low | 115 Ų | 115 | 81.9 Ų | 81.9 | 50% | 0.5 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -42.5 | -40.1 | -177.7 | -170 | 177.1 | 178 | -171.8 | 0 | 114.5 | I1691 L1692 E1720 | K1688-I1691 PolarHBondContact O-N 3.3Å; K1688-L1692 HydrophobicContact CG-CD1 4.35Å; K1688-L1692 WeakPolarHBondContact O-CG 3.47Å; K1688-L1692 PolarHBondContact O-N 2.77Å; K1688-L1692 VanDerWaalsContact O-N 3.09Å; K1688-E1720 WeakPolarHBondContact CE-OE1 3.36Å; K1688-E1720 IonicContact NZ-OE1 3.12Å; K1688-E1720 PolarHBondContact NZ-OE1 2.93Å; K1688-E1720 IonicContact NZ-OE2 2.99Å |
| 1689 | L | 63 | Low | 54.3 | Low | 135 Ų | 135 | 79.2 Ų | 79.2 | 71% | 0.707 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 178 | -99.4 | 146.7 | 0 | 0 | 0 | 114.7 | N1687 I1691 L1692 Q1693 | N1687-L1689 PolarHBondContact O-N 3.28Å; L1689-I1691 VanDerWaalsContact C-N 3.28Å; L1689-I1691 PolarHBondContact O-N 3.04Å; L1689-L1692 PolarHBondContact O-N 3.49Å; L1689-Q1693 PolarHBondContact O-N 2.86Å |
| 1690 | A | 63.3 | Low | 54.9 | Low | 30 Ų | 30 | 78.2 Ų | 78.2 | 25% | 0.248 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.6 | -33.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1687 L1694 | N1687-A1690 PolarHBondContact O-N 2.89Å; A1690-L1694 WeakPolarHBondContact O-CB 3.31Å; A1690-L1694 PolarHBondContact O-N 3.36Å |
| 1691 | I | 61.2 | Low | 55.2 | Low | 15 Ų | 15 | 76.1 Ų | 76.1 | 8% | 0.077 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -74 | -40.3 | 176.8 | -62.1 | 166.4 | 0 | 0 | 0 | 110.9 | F1686 N1687 K1688 L1689 Q1693 L1694 L1695 W2534 L2538 | F1686-I1691 HydrophobicContact CD1-CG1 4.22Å; N1687-I1691 PolarHBondContact O-N 3.25Å; K1688-I1691 PolarHBondContact O-N 3.3Å; L1689-I1691 VanDerWaalsContact C-N 3.28Å; L1689-I1691 PolarHBondContact O-N 3.04Å; I1691-Q1693 VanDerWaalsContact C-N 3.32Å; I1691-Q1693 PolarHBondContact O-N 3.23Å; I1691-L1694 WeakPolarHBondContact O-CB 3.17Å; I1691-L1694 PolarHBondContact O-N 2.93Å; I1691-L1695 HydrophobicContact CG2-CD1 4.18Å; I1691-L1695 HydrophobicContact CG2-CG 4.48Å; I1691-L1695 WeakPolarHBondContact O-CG 3.12Å; I1691-L1695 PolarHBondContact O-N 3.29Å; I1691-W2534 HydrophobicContact CD1-CE3 3.7Å; I1691-W2534 HydrophobicContact CD1-CZ3 3.67Å; I1691-L2538 HydrophobicContact CD1-CD1 3.89Å; I1691-L2538 HydrophobicContact CD1-CG 4.49Å; I1691-L2538 HydrophobicContact CG2-CD2 4.32Å |
| 1692 | L | 62.9 | Low | 55.9 | Low | 36 Ų | 36 | 81.9 Ų | 81.9 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 173.1 | -73.8 | 168.8 | 0 | 0 | 0 | 111.9 | K1688 L1689 L1695 R1696 L1716 I1724 | K1688-L1692 HydrophobicContact CG-CD1 4.35Å; K1688-L1692 WeakPolarHBondContact O-CG 3.47Å; K1688-L1692 PolarHBondContact O-N 2.77Å; K1688-L1692 VanDerWaalsContact O-N 3.09Å; L1689-L1692 PolarHBondContact O-N 3.49Å; L1692-L1695 PolarHBondContact O-N 3.19Å; L1692-R1696 WeakPolarHBondContact O-CB 3.43Å; L1692-R1696 PolarHBondContact O-N 3.42Å; L1692-L1716 HydrophobicContact CD2-CD1 4.14Å; L1692-L1716 HydrophobicContact CD2-CD2 3.92Å; L1692-I1724 HydrophobicContact CD2-CD1 3.85Å |
| 1693 | Q | 63.6 | Low | 56.3 | Low | 118 Ų | 118 | 77.3 Ų | 77.3 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.2 | -40.7 | 172.1 | -97.9 | 172.6 | -43.4 | 0 | 0 | 112.7 | L1689 I1691 R1696 E1697 | L1689-Q1693 PolarHBondContact O-N 2.86Å; I1691-Q1693 VanDerWaalsContact C-N 3.32Å; I1691-Q1693 PolarHBondContact O-N 3.23Å; Q1693-R1696 WeakPolarHBondContact O-CB 3.4Å; Q1693-R1696 PolarHBondContact O-N 2.99Å; Q1693-E1697 WeakPolarHBondContact O-CG 3.43Å; Q1693-E1697 PolarHBondContact O-N 3.13Å |
| 1694 | L | 62.9 | Low | 56.8 | Low | 67 Ų | 67 | 72.2 Ų | 72.2 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 175.7 | -120.4 | 144.8 | 0 | 0 | 0 | 112.8 | A1690 I1691 R1696 G1698 F2552 | A1690-L1694 WeakPolarHBondContact O-CB 3.31Å; A1690-L1694 PolarHBondContact O-N 3.36Å; I1691-L1694 WeakPolarHBondContact O-CB 3.17Å; I1691-L1694 PolarHBondContact O-N 2.93Å; L1694-R1696 VanDerWaalsContact C-N 3.34Å; L1694-G1698 PolarHBondContact O-N 3.33Å; L1694-F2552 HydrophobicContact CD1-CD2 4.08Å; L1694-F2552 HydrophobicContact CD1-CE2 3.38Å; L1694-F2552 HydrophobicContact CD1-CZ 4.18Å; L1694-F2552 HydrophobicContact CD2-CD2 4.13Å; L1694-F2552 HydrophobicContact CD2-CE2 3.57Å; L1694-F2552 HydrophobicContact CD2-CZ 3.77Å; L1694-F2552 HydrophobicContact CG-CE2 4.11Å |
| 1695 | L | 61.3 | Low | 57.2 | Low | 14 Ų | 14 | 72.4 Ų | 72.4 | 7% | 0.073 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | 173.5 | -72.3 | 168.8 | 0 | 0 | 0 | 110.8 | I1691 L1692 G1698 I1699 F1709 C1712 | I1691-L1695 HydrophobicContact CG2-CD1 4.18Å; I1691-L1695 HydrophobicContact CG2-CG 4.48Å; I1691-L1695 WeakPolarHBondContact O-CG 3.12Å; I1691-L1695 PolarHBondContact O-N 3.29Å; L1692-L1695 PolarHBondContact O-N 3.19Å; L1695-G1698 PolarHBondContact O-N 3.27Å; L1695-I1699 WeakPolarHBondContact O-CD1 3.22Å; L1695-I1699 VanDerWaalsContact O-CG1 3.28Å; L1695-I1699 WeakPolarHBondContact O-CG1 3.48Å; L1695-I1699 PolarHBondContact O-N 3.1Å; L1695-F1709 HydrophobicContact CD2-CE2 4.1Å; L1695-C1712 HydrophobicContact CD2-CB 4.3Å |
| 1696 | R | 60.4 | Low | 57.4 | Low | 140 Ų | 140 | 69.7 Ų | 69.7 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | 175.7 | -164.3 | 176.8 | -174.3 | -176 | 1.3 | 112.9 | L1692 Q1693 L1694 I1699 D1727 | L1692-R1696 WeakPolarHBondContact O-CB 3.43Å; L1692-R1696 PolarHBondContact O-N 3.42Å; Q1693-R1696 WeakPolarHBondContact O-CB 3.4Å; Q1693-R1696 PolarHBondContact O-N 2.99Å; L1694-R1696 VanDerWaalsContact C-N 3.34Å; R1696-I1699 PolarHBondContact O-N 3.37Å; R1696-D1727 IonicContact CZ-OD2 3.41Å; R1696-D1727 IonicContact NE-OD2 2.63Å; R1696-D1727 PolarHBondContact NE-OD2 3.46Å; R1696-D1727 IonicContact NH2-OD2 2.73Å; R1696-D1727 PolarHBondContact NH2-OD2 2.73Å |
| 1697 | E | 57.4 | Low | 57.5 | Low | 95 Ų | 95 | 71 Ų | 71 | 44% | 0.444 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.6 | -35.3 | 175.3 | -73.3 | 177 | -177 | 0 | 0 | 111.9 | Q1693 I1699 S1700 | Q1693-E1697 WeakPolarHBondContact O-CG 3.43Å; Q1693-E1697 PolarHBondContact O-N 3.13Å; E1697-I1699 PolarHBondContact O-N 2.86Å; E1697-S1700 PolarHBondContact O-N 2.87Å; E1697-S1700 VanDerWaalsContact O-N 3.15Å; E1697-S1700 PolarHBondContact O-OG 3.01Å |
| 1698 | G | 55 | Low | 57.3 | Low | 18 Ų | 18 | 69.1 Ų | 69.1 | 19% | 0.186 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66 | -17.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1694 L1695 | L1694-G1698 PolarHBondContact O-N 3.33Å; L1695-G1698 PolarHBondContact O-N 3.27Å |
| 1699 | I | 52.6 | Low | 57.6 | Low | 28 Ų | 28 | 64 Ų | 64 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75.5 | -33.5 | 173 | -64.4 | 159 | 0 | 0 | 0 | 111 | L1695 R1696 E1697 F1709 I1724 L1729 V1730 | L1695-I1699 WeakPolarHBondContact O-CD1 3.22Å; L1695-I1699 VanDerWaalsContact O-CG1 3.28Å; L1695-I1699 WeakPolarHBondContact O-CG1 3.48Å; L1695-I1699 PolarHBondContact O-N 3.1Å; R1696-I1699 PolarHBondContact O-N 3.37Å; E1697-I1699 PolarHBondContact O-N 2.86Å; I1699-F1709 HydrophobicContact CD1-CE1 4.24Å; I1699-F1709 HydrophobicContact CD1-CE2 4.47Å; I1699-F1709 HydrophobicContact CD1-CZ 3.62Å; I1699-F1709 HydrophobicContact CG1-CE1 3.92Å; I1699-F1709 HydrophobicContact CG1-CE2 3.75Å; I1699-F1709 HydrophobicContact CG1-CZ 3.25Å; I1699-I1724 HydrophobicContact CD1-CG2 3.47Å; I1699-I1724 VanDerWaalsContact CD1-CG2 3.47Å; I1699-L1729 WeakPolarHBondContact CG2-O 3.34Å; I1699-V1730 HydrophobicContact CD1-CG2 4.39Å; I1699-V1730 HydrophobicContact CG2-CB 4.25Å; I1699-V1730 HydrophobicContact CG2-CG2 3.86Å |
| 1700 | S | 50.6 | Low | 57.6 | Low | 73 Ų | 73 | 57.5 Ų | 57.5 | 51% | 0.51 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -77.6 | -22.4 | -178.3 | 73.7 | 0 | 0 | 0 | 0 | 113.6 | E1697 | E1697-S1700 PolarHBondContact O-N 2.87Å; E1697-S1700 VanDerWaalsContact O-N 3.15Å; E1697-S1700 PolarHBondContact O-OG 3.01Å |
| 1701 | A | 47.4 | Very low | 57.7 | Low | 27 Ų | 27 | 59 Ų | 59 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -107.6 | 119.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | F1703 | A1701-F1703 HydrophobicContact CB-CD2 3.68Å; A1701-F1703 HydrophobicContact CB-CE2 4.3Å; A1701-F1703 PolarHBondContact O-N 3.43Å |
| 1702 | R | 50.6 | Low | 57.9 | Low | 205 Ų | 205 | 58.5 Ų | 58.5 | 77% | 0.774 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 26.8 | -176 | -64.3 | -178.8 | 178.4 | -178.4 | 0.4 | 116 | D1639 | D1639-R1702 IonicContact OD2-NH1 3Å; D1639-R1702 PolarHBondContact OD2-NH1 3.42Å |
| 1703 | F | 48.2 | Very low | 58.3 | Low | 97 Ų | 97 | 56.8 Ų | 56.8 | 43% | 0.425 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -12.6 | -166.1 | -78 | -84.9 | 0 | 0 | 0 | 115.7 | A1701 | A1701-F1703 HydrophobicContact CB-CD2 3.68Å; A1701-F1703 HydrophobicContact CB-CE2 4.3Å; A1701-F1703 PolarHBondContact O-N 3.43Å |
| 1704 | I | 51.9 | Low | 58.6 | Low | 50 Ų | 50 | 53.9 Ų | 53.9 | 26% | 0.256 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -116.7 | 129.8 | -177.9 | -54 | 174.8 | 0 | 0 | 0 | 109.6 | F1709 | I1704-F1709 HydrophobicContact CG2-CB 4.07Å; I1704-F1709 HydrophobicContact CG2-CD2 4.36Å |
| 1705 | D | 54.4 | Low | 58.6 | Low | 78 Ų | 78 | 53.8 Ų | 53.8 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | trans | -62.5 | 135.1 | 179 | -153.4 | -17.3 | 0 | 0 | 0 | 110.8 | H1707 F1708 F1709 | D1705-H1707 PolarHBondContact O-N 3.19Å; D1705-H1707 VanDerWaalsContact O-N 3.15Å; D1705-F1708 HydrophobicContact CB-CB 4.41Å; D1705-F1708 HydrophobicContact CB-CD2 3.97Å; D1705-F1708 PolarHBondContact O-N 2.92Å; D1705-F1709 PolarHBondContact O-N 3.45Å | ||
| 1706 | A | 58.1 | Low | 59 | Low | 12 Ų | 12 | 54.3 Ų | 54.3 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -31.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1710 V1734 S1737 | A1706-A1710 WeakPolarHBondContact O-CB 3.47Å; A1706-A1710 PolarHBondContact O-N 2.66Å; A1706-A1710 VanDerWaalsContact O-N 3.07Å; A1706-V1734 HydrophobicContact CB-CG2 4.08Å; A1706-S1737 WeakPolarHBondContact CB-OG 3.46Å; A1706-S1737 WeakPolarHBondContact O-CB 3.49Å |
| 1707 | H | 60.8 | Low | 59.5 | Low | 43 Ų | 43 | 50.3 Ų | 50.3 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.7 | -41.2 | 175.6 | -172.5 | 70.4 | 0 | 0 | 0 | 113 | D1705 A1710 K1711 | D1705-H1707 PolarHBondContact O-N 3.19Å; D1705-H1707 VanDerWaalsContact O-N 3.15Å; H1707-A1710 PolarHBondContact O-N 2.88Å; H1707-K1711 WeakPolarHBondContact NE2-CE 3.41Å; H1707-K1711 PolarHBondContact O-N 3.38Å; H1707-K1711 VanDerWaalsContact O-N 3.13Å |
| 1708 | F | 58.7 | Low | 60 | Low | 56 Ų | 56 | 47.8 Ų | 47.8 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 176.4 | -83.5 | -78.4 | 0 | 0 | 0 | 111.1 | D1705 A1710 K1711 C1712 E2540 | D1705-F1708 HydrophobicContact CB-CB 4.41Å; D1705-F1708 HydrophobicContact CB-CD2 3.97Å; D1705-F1708 PolarHBondContact O-N 2.92Å; F1708-A1710 VanDerWaalsContact C-N 3.31Å; F1708-A1710 PolarHBondContact O-N 3.11Å; F1708-K1711 PolarHBondContact O-N 3.1Å; F1708-C1712 PolarHBondContact O-N 2.99Å; F1708-C1712 PolarHBondContact O-SG 3.38Å; F1708-E2540 HydrophobicContact CD1-CB 4.47Å |
| 1709 | F | 64.8 | Low | 60.8 | Low | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.1 | -43 | 173.7 | -168.8 | -92.3 | 0 | 0 | 0 | 111.6 | L1695 I1699 I1704 D1705 K1711 C1712 I1713 I1724 V1734 | L1695-F1709 HydrophobicContact CD2-CE2 4.1Å; I1699-F1709 HydrophobicContact CD1-CE1 4.24Å; I1699-F1709 HydrophobicContact CD1-CE2 4.47Å; I1699-F1709 HydrophobicContact CD1-CZ 3.62Å; I1699-F1709 HydrophobicContact CG1-CE1 3.92Å; I1699-F1709 HydrophobicContact CG1-CE2 3.75Å; I1699-F1709 HydrophobicContact CG1-CZ 3.25Å; I1704-F1709 HydrophobicContact CG2-CB 4.07Å; I1704-F1709 HydrophobicContact CG2-CD2 4.36Å; D1705-F1709 PolarHBondContact O-N 3.45Å; F1709-K1711 PolarHBondContact O-N 3.31Å; F1709-C1712 WeakPolarHBondContact O-CB 3.25Å; F1709-C1712 PolarHBondContact O-N 3.09Å; F1709-C1712 VanDerWaalsContact O-N 3.16Å; F1709-I1713 HydrophobicContact CD1-CD1 4.29Å; F1709-I1713 HydrophobicContact CE1-CD1 4.09Å; F1709-I1713 HydrophobicContact CE1-CG2 4.03Å; F1709-I1713 HydrophobicContact CZ-CG2 4.18Å; F1709-I1713 WeakPolarHBondContact O-CG1 3.36Å; F1709-I1713 PolarHBondContact O-N 3.47Å; F1709-I1724 HydrophobicContact CZ-CG2 4.47Å; F1709-V1734 HydrophobicContact CD1-CG1 3.56Å; F1709-V1734 HydrophobicContact CE1-CG1 4.04Å |
| 1710 | A | 64.4 | Low | 61.7 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1706 H1707 F1708 I1713 Q1714 C1738 L1741 | A1706-A1710 WeakPolarHBondContact O-CB 3.47Å; A1706-A1710 PolarHBondContact O-N 2.66Å; A1706-A1710 VanDerWaalsContact O-N 3.07Å; H1707-A1710 PolarHBondContact O-N 2.88Å; F1708-A1710 VanDerWaalsContact C-N 3.31Å; F1708-A1710 PolarHBondContact O-N 3.11Å; A1710-I1713 WeakPolarHBondContact O-CG1 3.46Å; A1710-Q1714 PolarHBondContact O-N 3.09Å; A1710-C1738 HydrophobicContact CB-CB 4.43Å; A1710-C1738 VanDerWaalsContact CB-SG 3.58Å; A1710-L1741 HydrophobicContact CB-CD1 3.6Å |
| 1711 | K | 63.9 | Low | 62.8 | Low | 62 Ų | 62 | 49.8 Ų | 49.8 | 27% | 0.27 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | 172.1 | -74.5 | -172.6 | 177.5 | 174.5 | 0 | 112.4 | H1707 F1708 F1709 I1713 Q1714 L1741 E2540 | H1707-K1711 WeakPolarHBondContact NE2-CE 3.41Å; H1707-K1711 PolarHBondContact O-N 3.38Å; H1707-K1711 VanDerWaalsContact O-N 3.13Å; F1708-K1711 PolarHBondContact O-N 3.1Å; F1709-K1711 PolarHBondContact O-N 3.31Å; K1711-I1713 VanDerWaalsContact C-N 3.34Å; K1711-I1713 PolarHBondContact O-N 3.49Å; K1711-Q1714 WeakPolarHBondContact O-CB 3.49Å; K1711-Q1714 PolarHBondContact O-N 2.97Å; K1711-L1741 HydrophobicContact CG-CD1 3.72Å; K1711-L1741 HydrophobicContact CG-CD2 4.23Å; K1711-E2540 HydrophobicContact CB-CG 4.35Å |
| 1712 | C | 66.4 | Low | 64 | Low | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -35.8 | -179.9 | -70.4 | 0 | 0 | 0 | 0 | 113.4 | L1695 F1708 F1709 P1715 S2537 V2541 | L1695-C1712 HydrophobicContact CD2-CB 4.3Å; F1708-C1712 PolarHBondContact O-N 2.99Å; F1708-C1712 PolarHBondContact O-SG 3.38Å; F1709-C1712 WeakPolarHBondContact O-CB 3.25Å; F1709-C1712 PolarHBondContact O-N 3.09Å; F1709-C1712 VanDerWaalsContact O-N 3.16Å; C1712-P1715 WeakPolarHBondContact O-CD 3.47Å; C1712-S2537 WeakPolarHBondContact O-CB 3.22Å; C1712-V2541 HydrophobicContact CB-CG2 4.4Å; C1712-V2541 WeakPolarHBondContact SG-CG2 3.32Å |
| 1713 | I | 70.8 | Confident | 65.1 | Low | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -89.1 | -12 | -178.6 | 60.9 | 177.2 | 0 | 0 | 0 | 113.8 | F1709 A1710 K1711 P1715 L1716 L1721 L1725 L1759 | F1709-I1713 HydrophobicContact CD1-CD1 4.29Å; F1709-I1713 HydrophobicContact CE1-CD1 4.09Å; F1709-I1713 HydrophobicContact CE1-CG2 4.03Å; F1709-I1713 HydrophobicContact CZ-CG2 4.18Å; F1709-I1713 WeakPolarHBondContact O-CG1 3.36Å; F1709-I1713 PolarHBondContact O-N 3.47Å; A1710-I1713 WeakPolarHBondContact O-CG1 3.46Å; K1711-I1713 VanDerWaalsContact C-N 3.34Å; K1711-I1713 PolarHBondContact O-N 3.49Å; I1713-P1715 VanDerWaalsContact C-CD 3.43Å; I1713-L1716 HydrophobicContact CB-CD1 3.92Å; I1713-L1716 HydrophobicContact CG2-CD1 3.94Å; I1713-L1716 VanDerWaalsContact O-CB 3.31Å; I1713-L1716 WeakPolarHBondContact O-CB 3.28Å; I1713-L1716 PolarHBondContact O-N 2.59Å; I1713-L1716 VanDerWaalsContact O-N 3.07Å; I1713-L1721 HydrophobicContact CB-CD2 3.85Å; I1713-L1721 HydrophobicContact CD1-CD2 4.1Å; I1713-L1721 HydrophobicContact CG1-CD2 4.1Å; I1713-L1721 WeakPolarHBondContact O-CD2 3.23Å; I1713-L1725 HydrophobicContact CD1-CD2 4Å; I1713-L1725 HydrophobicContact CD1-CG 4.49Å; I1713-L1759 HydrophobicContact CD1-CD1 4.07Å; I1713-L1759 HydrophobicContact CG1-CD1 3.86Å |
| 1714 | Q | 69 | Low | 66.2 | Low | 58 Ų | 58 | 44.4 Ų | 44.4 | 27% | 0.271 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -38.9 | 179.2 | -170.3 | -179.7 | 3.5 | 0 | 0 | 115.7 | A1710 K1711 L1716 | A1710-Q1714 PolarHBondContact O-N 3.09Å; K1711-Q1714 WeakPolarHBondContact O-CB 3.49Å; K1711-Q1714 PolarHBondContact O-N 2.97Å; Q1714-L1716 VanDerWaalsContact C-N 3.29Å; Q1714-L1716 PolarHBondContact O-N 3.12Å |
| 1715 | P | 64.3 | Low | 67.2 | Low | 64 Ų | 64 | 42.2 Ų | 42.2 | 42% | 0.416 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 0.6 | 179.2 | 29.5 | -32.6 | 0 | 0 | 0 | 114.8 | C1712 I1713 | C1712-P1715 WeakPolarHBondContact O-CD 3.47Å; I1713-P1715 VanDerWaalsContact C-CD 3.43Å |
| 1716 | L | 68.5 | Low | 68 | Low | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.131 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -77.8 | 155.4 | -179.9 | -66.6 | 171.1 | 0 | 0 | 0 | 112.4 | L1692 I1713 Q1714 E1720 L1721 I1724 | L1692-L1716 HydrophobicContact CD2-CD1 4.14Å; L1692-L1716 HydrophobicContact CD2-CD2 3.92Å; I1713-L1716 HydrophobicContact CB-CD1 3.92Å; I1713-L1716 HydrophobicContact CG2-CD1 3.94Å; I1713-L1716 VanDerWaalsContact O-CB 3.31Å; I1713-L1716 WeakPolarHBondContact O-CB 3.28Å; I1713-L1716 PolarHBondContact O-N 2.59Å; I1713-L1716 VanDerWaalsContact O-N 3.07Å; Q1714-L1716 VanDerWaalsContact C-N 3.29Å; Q1714-L1716 PolarHBondContact O-N 3.12Å; L1716-E1720 HydrophobicContact CB-CB 4.36Å; L1716-L1721 HydrophobicContact CB-CD2 4.28Å; L1716-L1721 HydrophobicContact CB-CG 4Å; L1716-I1724 HydrophobicContact CD1-CD1 3.8Å |
| 1717 | S | 72.1 | Confident | 68.5 | Low | 56 Ų | 56 | 42.2 Ų | 42.2 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | trans | -73.3 | 155.4 | 175.2 | 67 | 0 | 0 | 0 | 0 | 111.7 | I1719 E1720 L1721 | S1717-I1719 PolarHBondContact O-N 3.32Å; S1717-I1719 VanDerWaalsContact O-N 3.1Å; S1717-E1720 WeakPolarHBondContact CB-OE2 3.28Å; S1717-E1720 PolarHBondContact N-OE2 2.94Å; S1717-E1720 VanDerWaalsContact N-OE2 3.08Å; S1717-E1720 PolarHBondContact O-N 3.43Å; S1717-E1720 VanDerWaalsContact O-N 3.09Å; S1717-E1720 WeakPolarHBondContact OG-CG 3.48Å; S1717-E1720 PolarHBondContact OG-OE2 3.32Å; S1717-L1721 PolarHBondContact O-N 3.33Å | ||
| 1718 | A | 68.4 | Low | 68.5 | Low | 43 Ų | 43 | 46.9 Ų | 46.9 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -54.7 | -32 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1722 A1758 S1762 | A1718-N1722 PolarHBondContact O-N 3.46Å; A1718-N1722 VanDerWaalsContact O-N 3.1Å; A1718-A1758 HydrophobicContact CB-CB 3.83Å; A1718-S1762 PolarHBondContact O-OG 2.98Å; A1718-S1762 VanDerWaalsContact O-OG 3.12Å |
| 1719 | I | 71.7 | Confident | 68.4 | Low | 129 Ų | 129 | 49.8 Ų | 49.8 | 66% | 0.662 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70 | -46.6 | 179.4 | -59.5 | 171.5 | 0 | 0 | 0 | 110.3 | S1717 L1721 N1722 E1723 | S1717-I1719 PolarHBondContact O-N 3.32Å; S1717-I1719 VanDerWaalsContact O-N 3.1Å; I1719-L1721 VanDerWaalsContact C-N 3.31Å; I1719-L1721 PolarHBondContact O-N 3.38Å; I1719-N1722 PolarHBondContact O-N 3.33Å; I1719-E1723 PolarHBondContact O-N 3.31Å; I1719-E1723 VanDerWaalsContact O-N 3.17Å |
| 1720 | E | 70.9 | Confident | 68.3 | Low | 32 Ų | 32 | 50.4 Ų | 50.4 | 15% | 0.15 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.6 | -35.8 | 179 | -65.8 | 164.3 | 151.7 | 0 | 0 | 111.2 | K1688 L1716 S1717 E1723 I1724 | K1688-E1720 WeakPolarHBondContact CE-OE1 3.36Å; K1688-E1720 IonicContact NZ-OE1 3.12Å; K1688-E1720 PolarHBondContact NZ-OE1 2.93Å; K1688-E1720 IonicContact NZ-OE2 2.99Å; L1716-E1720 HydrophobicContact CB-CB 4.36Å; S1717-E1720 WeakPolarHBondContact CB-OE2 3.28Å; S1717-E1720 PolarHBondContact N-OE2 2.94Å; S1717-E1720 VanDerWaalsContact N-OE2 3.08Å; S1717-E1720 PolarHBondContact O-N 3.43Å; S1717-E1720 VanDerWaalsContact O-N 3.09Å; S1717-E1720 WeakPolarHBondContact OG-CG 3.48Å; S1717-E1720 PolarHBondContact OG-OE2 3.32Å; E1720-E1723 PolarHBondContact O-N 3.47Å; E1720-I1724 VanDerWaalsContact O-CG1 3.32Å; E1720-I1724 WeakPolarHBondContact O-CG1 3.4Å; E1720-I1724 PolarHBondContact O-N 3.42Å |
| 1721 | L | 72.8 | Confident | 68.2 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 173.9 | -77.9 | 167.4 | 0 | 0 | 0 | 112.6 | I1713 L1716 S1717 I1719 I1724 L1725 A1758 L1759 | I1713-L1721 HydrophobicContact CB-CD2 3.85Å; I1713-L1721 HydrophobicContact CD1-CD2 4.1Å; I1713-L1721 HydrophobicContact CG1-CD2 4.1Å; I1713-L1721 WeakPolarHBondContact O-CD2 3.23Å; L1716-L1721 HydrophobicContact CB-CD2 4.28Å; L1716-L1721 HydrophobicContact CB-CG 4Å; S1717-L1721 PolarHBondContact O-N 3.33Å; I1719-L1721 VanDerWaalsContact C-N 3.31Å; I1719-L1721 PolarHBondContact O-N 3.38Å; L1721-I1724 PolarHBondContact O-N 2.85Å; L1721-L1725 HydrophobicContact CB-CD1 4.38Å; L1721-L1725 HydrophobicContact CD2-CD1 4.23Å; L1721-L1725 VanDerWaalsContact O-CB 3.25Å; L1721-L1725 WeakPolarHBondContact O-CB 3.19Å; L1721-L1725 WeakPolarHBondContact O-CG 3.42Å; L1721-L1725 PolarHBondContact O-N 3.4Å; L1721-A1758 HydrophobicContact CD1-CB 4.19Å; L1721-L1759 HydrophobicContact CD1-CB 4.42Å; L1721-L1759 HydrophobicContact CD1-CD1 4.23Å; L1721-L1759 HydrophobicContact CD2-CD1 3.7Å |
| 1722 | N | 73.9 | Confident | 68 | Low | 63 Ų | 63 | 52.5 Ų | 52.5 | 34% | 0.337 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 176.9 | -84.1 | -3.7 | 0 | 0 | 0 | 112.4 | A1718 I1719 I1724 C1726 S1762 | A1718-N1722 PolarHBondContact O-N 3.46Å; A1718-N1722 VanDerWaalsContact O-N 3.1Å; I1719-N1722 PolarHBondContact O-N 3.33Å; N1722-I1724 VanDerWaalsContact C-N 3.27Å; N1722-I1724 PolarHBondContact O-N 3.01Å; N1722-C1726 WeakPolarHBondContact O-CB 3.14Å; N1722-C1726 PolarHBondContact O-N 3.27Å; N1722-C1726 VanDerWaalsContact O-N 3.08Å; N1722-C1726 PolarHBondContact O-SG 3Å; N1722-C1726 VanDerWaalsContact O-SG 3.34Å; N1722-S1762 WeakPolarHBondContact OD1-CA 3.37Å; N1722-S1762 WeakPolarHBondContact OD1-CB 3.36Å; N1722-S1762 PolarHBondContact OD1-OG 3.3Å |
| 1723 | E | 72.5 | Confident | 67.6 | Low | 144 Ų | 144 | 56.7 Ų | 56.7 | 67% | 0.673 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.3 | -34.7 | 176.4 | -77.9 | -171.1 | 160.7 | 0 | 0 | 112.7 | I1719 E1720 | I1719-E1723 PolarHBondContact O-N 3.31Å; I1719-E1723 VanDerWaalsContact O-N 3.17Å; E1720-E1723 PolarHBondContact O-N 3.47Å |
| 1724 | I | 71.6 | Confident | 67.3 | Low | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.046 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -81.7 | -48 | 179.9 | -65.1 | 170 | 0 | 0 | 0 | 111.4 | L1692 I1699 F1709 L1716 E1720 L1721 N1722 V1730 | L1692-I1724 HydrophobicContact CD2-CD1 3.85Å; I1699-I1724 HydrophobicContact CD1-CG2 3.47Å; I1699-I1724 VanDerWaalsContact CD1-CG2 3.47Å; F1709-I1724 HydrophobicContact CZ-CG2 4.47Å; L1716-I1724 HydrophobicContact CD1-CD1 3.8Å; E1720-I1724 VanDerWaalsContact O-CG1 3.32Å; E1720-I1724 WeakPolarHBondContact O-CG1 3.4Å; E1720-I1724 PolarHBondContact O-N 3.42Å; L1721-I1724 PolarHBondContact O-N 2.85Å; N1722-I1724 VanDerWaalsContact C-N 3.27Å; N1722-I1724 PolarHBondContact O-N 3.01Å; I1724-V1730 WeakPolarHBondContact O-CG2 3.2Å |
| 1725 | L | 72.5 | Confident | 67.1 | Low | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.8 | -24.1 | -170.8 | -68.6 | 169.5 | 0 | 0 | 0 | 113.4 | I1713 L1721 D1727 A1766 | I1713-L1725 HydrophobicContact CD1-CD2 4Å; I1713-L1725 HydrophobicContact CD1-CG 4.49Å; L1721-L1725 HydrophobicContact CB-CD1 4.38Å; L1721-L1725 HydrophobicContact CD2-CD1 4.23Å; L1721-L1725 VanDerWaalsContact O-CB 3.25Å; L1721-L1725 WeakPolarHBondContact O-CB 3.19Å; L1721-L1725 WeakPolarHBondContact O-CG 3.42Å; L1721-L1725 PolarHBondContact O-N 3.4Å; L1725-D1727 VanDerWaalsContact C-N 3.34Å; L1725-A1766 HydrophobicContact CB-CB 3.76Å; L1725-A1766 VanDerWaalsContact O-CB 3.31Å; L1725-A1766 WeakPolarHBondContact O-CB 3.43Å |
| 1726 | C | 71.4 | Confident | 66.9 | Low | 51 Ų | 51 | 55 Ų | 55 | 35% | 0.345 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 113.9 | N1722 | N1722-C1726 WeakPolarHBondContact O-CB 3.14Å; N1722-C1726 PolarHBondContact O-N 3.27Å; N1722-C1726 VanDerWaalsContact O-N 3.08Å; N1722-C1726 PolarHBondContact O-SG 3Å; N1722-C1726 VanDerWaalsContact O-SG 3.34Å |
| 1727 | D | 68.5 | Low | 66.6 | Low | 39 Ų | 39 | 55 Ų | 55 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -73.4 | 150.1 | 179.4 | -153.1 | -23.3 | 0 | 0 | 0 | 111.8 | R1696 L1725 L1729 V1730 | R1696-D1727 IonicContact CZ-OD2 3.41Å; R1696-D1727 IonicContact NE-OD2 2.63Å; R1696-D1727 PolarHBondContact NE-OD2 3.46Å; R1696-D1727 IonicContact NH2-OD2 2.73Å; R1696-D1727 PolarHBondContact NH2-OD2 2.73Å; L1725-D1727 VanDerWaalsContact C-N 3.34Å; D1727-L1729 PolarHBondContact O-N 3.37Å; D1727-L1729 VanDerWaalsContact O-N 3.13Å; D1727-V1730 HydrophobicContact CB-CG2 4.32Å; D1727-V1730 PolarHBondContact O-N 3.25Å |
| 1728 | E | 61.4 | Low | 66.3 | Low | 140 Ų | 140 | 52.3 Ų | 52.3 | 65% | 0.654 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.4 | -171 | -50.1 | -163.7 | 159.5 | 0 | 0 | 113.9 | R1773 | E1728-R1773 VanDerWaalsContact CD-NH2 3.26Å; E1728-R1773 VanDerWaalsContact CG-NH1 3.28Å; E1728-R1773 IonicContact OE1-CZ 3.11Å; E1728-R1773 IonicContact OE1-NH1 3.21Å; E1728-R1773 PolarHBondContact OE1-NH1 2.78Å; E1728-R1773 IonicContact OE1-NH2 2.64Å; E1728-R1773 PolarHBondContact OE1-NH2 2.71Å; E1728-R1773 IonicContact OE2-NH2 3.6Å |
| 1729 | L | 57.5 | Low | 66.1 | Low | 118 Ų | 118 | 52.3 Ų | 52.3 | 62% | 0.618 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.1 | -173.1 | -68.2 | 163.2 | 0 | 0 | 0 | 113.5 | I1699 D1727 S1731 | I1699-L1729 WeakPolarHBondContact CG2-O 3.34Å; D1727-L1729 PolarHBondContact O-N 3.37Å; D1727-L1729 VanDerWaalsContact O-N 3.13Å; L1729-S1731 PolarHBondContact O-N 3.5Å |
| 1730 | V | 62.9 | Low | 65.5 | Low | 19 Ų | 19 | 51.6 Ų | 51.6 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | trans | -74.9 | 122.5 | -177.2 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | I1699 I1724 D1727 V1734 L1735 | I1699-V1730 HydrophobicContact CD1-CG2 4.39Å; I1699-V1730 HydrophobicContact CG2-CB 4.25Å; I1699-V1730 HydrophobicContact CG2-CG2 3.86Å; I1724-V1730 WeakPolarHBondContact O-CG2 3.2Å; D1727-V1730 HydrophobicContact CB-CG2 4.32Å; D1727-V1730 PolarHBondContact O-N 3.25Å; V1730-V1734 HydrophobicContact CG1-CB 4.34Å; V1730-V1734 HydrophobicContact CG1-CG1 4.46Å; V1730-L1735 HydrophobicContact CG1-CD1 4.47Å; V1730-L1735 HydrophobicContact CG1-CG 4.35Å | ||
| 1731 | S | 61.3 | Low | 65.2 | Low | 55 Ų | 55 | 50.7 Ų | 50.7 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | trans | -75.2 | 146.8 | 178.1 | 90.5 | 0 | 0 | 0 | 0 | 112.5 | L1729 T1733 V1734 L1735 | L1729-S1731 PolarHBondContact O-N 3.5Å; S1731-T1733 PolarHBondContact O-N 3.01Å; S1731-T1733 VanDerWaalsContact O-N 3.14Å; S1731-T1733 PolarHBondContact OG-OG1 3.38Å; S1731-V1734 PolarHBondContact O-N 3.43Å; S1731-L1735 PolarHBondContact O-N 2.78Å | ||
| 1732 | G | 60.5 | Low | 64.7 | Low | 51 Ų | 51 | 50.7 Ų | 50.7 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.2 | -26 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1734 L1735 V1736 | G1732-V1734 VanDerWaalsContact C-N 3.35Å; G1732-L1735 PolarHBondContact O-N 3.44Å; G1732-V1736 WeakPolarHBondContact O-CG2 3.38Å; G1732-V1736 PolarHBondContact O-N 3.45Å; G1732-V1736 VanDerWaalsContact O-N 3.11Å |
| 1733 | T | 57.6 | Low | 64 | Low | 91 Ų | 91 | 53.8 Ų | 53.8 | 56% | 0.558 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -69.9 | -30.7 | 177.1 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | S1731 S1737 | S1731-T1733 PolarHBondContact O-N 3.01Å; S1731-T1733 VanDerWaalsContact O-N 3.14Å; S1731-T1733 PolarHBondContact OG-OG1 3.38Å; T1733-S1737 WeakPolarHBondContact O-CB 3.42Å; T1733-S1737 PolarHBondContact O-N 3.33Å; T1733-S1737 VanDerWaalsContact O-N 3.13Å; T1733-S1737 PolarHBondContact O-OG 2.74Å |
| 1734 | V | 63.8 | Low | 63.1 | Low | 16 Ų | 16 | 48.7 Ų | 48.7 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.1 | -45.4 | 174.1 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | A1706 F1709 V1730 S1731 G1732 V1736 S1737 C1738 | A1706-V1734 HydrophobicContact CB-CG2 4.08Å; F1709-V1734 HydrophobicContact CD1-CG1 3.56Å; F1709-V1734 HydrophobicContact CE1-CG1 4.04Å; V1730-V1734 HydrophobicContact CG1-CB 4.34Å; V1730-V1734 HydrophobicContact CG1-CG1 4.46Å; S1731-V1734 PolarHBondContact O-N 3.43Å; G1732-V1734 VanDerWaalsContact C-N 3.35Å; V1734-V1736 PolarHBondContact O-N 3.24Å; V1734-S1737 PolarHBondContact O-N 2.84Å; V1734-C1738 PolarHBondContact O-N 3.28Å; V1734-C1738 PolarHBondContact O-SG 2.93Å |
| 1735 | L | 65.6 | Low | 62.3 | Low | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.6 | -85.2 | 161.1 | 0 | 0 | 0 | 112.8 | V1730 S1731 G1732 S1737 C1738 L1739 A1766 | V1730-L1735 HydrophobicContact CG1-CD1 4.47Å; V1730-L1735 HydrophobicContact CG1-CG 4.35Å; S1731-L1735 PolarHBondContact O-N 2.78Å; G1732-L1735 PolarHBondContact O-N 3.44Å; L1735-S1737 VanDerWaalsContact C-N 3.33Å; L1735-S1737 PolarHBondContact O-N 3.08Å; L1735-C1738 PolarHBondContact O-N 2.89Å; L1735-L1739 WeakPolarHBondContact O-CG 3.37Å; L1735-L1739 PolarHBondContact O-N 3.4Å; L1735-A1766 HydrophobicContact CD2-CB 3.67Å |
| 1736 | V | 60.7 | Low | 61.4 | Low | 66 Ų | 66 | 52.9 Ų | 52.9 | 40% | 0.4 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | G1732 V1734 L1739 K1740 | G1732-V1736 WeakPolarHBondContact O-CG2 3.38Å; G1732-V1736 PolarHBondContact O-N 3.45Å; G1732-V1736 VanDerWaalsContact O-N 3.11Å; V1734-V1736 PolarHBondContact O-N 3.24Å; V1736-L1739 PolarHBondContact O-N 2.83Å; V1736-K1740 HydrophobicContact CG1-CD 4.39Å; V1736-K1740 WeakPolarHBondContact O-CG 3.26Å; V1736-K1740 PolarHBondContact O-N 3.38Å |
| 1737 | S | 62.3 | Low | 60.3 | Low | 24 Ų | 24 | 55.3 Ų | 55.3 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | A1706 T1733 V1734 L1735 K1740 L1741 | A1706-S1737 WeakPolarHBondContact CB-OG 3.46Å; A1706-S1737 WeakPolarHBondContact O-CB 3.49Å; T1733-S1737 WeakPolarHBondContact O-CB 3.42Å; T1733-S1737 PolarHBondContact O-N 3.33Å; T1733-S1737 VanDerWaalsContact O-N 3.13Å; T1733-S1737 PolarHBondContact O-OG 2.74Å; V1734-S1737 PolarHBondContact O-N 2.84Å; L1735-S1737 VanDerWaalsContact C-N 3.33Å; L1735-S1737 PolarHBondContact O-N 3.08Å; S1737-K1740 PolarHBondContact O-N 2.94Å; S1737-L1741 WeakPolarHBondContact O-CB 3.43Å; S1737-L1741 PolarHBondContact O-N 2.96Å |
| 1738 | C | 65.2 | Low | 59.3 | Low | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 173.2 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | A1710 V1734 L1735 L1741 A1742 | A1710-C1738 HydrophobicContact CB-CB 4.43Å; A1710-C1738 VanDerWaalsContact CB-SG 3.58Å; V1734-C1738 PolarHBondContact O-N 3.28Å; V1734-C1738 PolarHBondContact O-SG 2.93Å; L1735-C1738 PolarHBondContact O-N 2.89Å; C1738-L1741 PolarHBondContact O-N 3.34Å; C1738-A1742 VanDerWaalsContact O-CB 3.26Å; C1738-A1742 WeakPolarHBondContact O-CB 3.22Å; C1738-A1742 PolarHBondContact O-N 2.9Å |
| 1739 | L | 63.9 | Low | 58.3 | Low | 43 Ų | 43 | 55.1 Ų | 55.1 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 176.8 | -78.6 | 163.2 | 0 | 0 | 0 | 112 | L1735 V1736 A1742 Y1743 Y1760 L1767 | L1735-L1739 WeakPolarHBondContact O-CG 3.37Å; L1735-L1739 PolarHBondContact O-N 3.4Å; V1736-L1739 PolarHBondContact O-N 2.83Å; L1739-A1742 PolarHBondContact O-N 3.45Å; L1739-Y1743 WeakPolarHBondContact O-CB 3.41Å; L1739-Y1743 PolarHBondContact O-N 3.49Å; L1739-Y1760 HydrophobicContact CD2-CD2 4.31Å; L1739-Y1760 HydrophobicContact CD2-CE2 4.22Å; L1739-L1767 HydrophobicContact CD1-CD1 4.32Å |
| 1740 | K | 60 | Low | 57.6 | Low | 113 Ų | 113 | 59.3 Ų | 59.3 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 175.2 | -77.1 | -177.4 | 175.3 | -176.4 | 0 | 112.1 | V1736 S1737 K1744 E2057 | V1736-K1740 HydrophobicContact CG1-CD 4.39Å; V1736-K1740 WeakPolarHBondContact O-CG 3.26Å; V1736-K1740 PolarHBondContact O-N 3.38Å; S1737-K1740 PolarHBondContact O-N 2.94Å; K1740-K1744 WeakPolarHBondContact O-CB 3.24Å; K1740-K1744 PolarHBondContact O-N 3.47Å; K1740-K1744 VanDerWaalsContact O-N 3.07Å; K1740-E2057 IonicContact NZ-OE1 3.67Å; K1740-E2057 PolarHBondContact NZ-OE1 3.5Å |
| 1741 | L | 63.9 | Low | 56.3 | Low | 14 Ų | 14 | 67.4 Ų | 67.4 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.1 | -40.1 | 178.2 | -118.9 | 152.9 | 0 | 0 | 0 | 112.7 | A1710 K1711 S1737 C1738 K1744 S1745 | A1710-L1741 HydrophobicContact CB-CD1 3.6Å; K1711-L1741 HydrophobicContact CG-CD1 3.72Å; K1711-L1741 HydrophobicContact CG-CD2 4.23Å; S1737-L1741 WeakPolarHBondContact O-CB 3.43Å; S1737-L1741 PolarHBondContact O-N 2.96Å; C1738-L1741 PolarHBondContact O-N 3.34Å; L1741-K1744 PolarHBondContact O-N 2.94Å; L1741-S1745 PolarHBondContact O-N 3.42Å; L1741-S1745 PolarHBondContact O-OG 3.46Å |
| 1742 | A | 62.7 | Low | 55 | Low | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1738 L1739 S1745 N1746 L1759 Y1760 | C1738-A1742 VanDerWaalsContact O-CB 3.26Å; C1738-A1742 WeakPolarHBondContact O-CB 3.22Å; C1738-A1742 PolarHBondContact O-N 2.9Å; L1739-A1742 PolarHBondContact O-N 3.45Å; A1742-S1745 PolarHBondContact O-N 3.17Å; A1742-S1745 PolarHBondContact O-OG 2.92Å; A1742-S1745 VanDerWaalsContact O-OG 3.05Å; A1742-N1746 PolarHBondContact O-N 3.09Å; A1742-L1759 HydrophobicContact CB-CB 4.41Å; A1742-L1759 HydrophobicContact CB-CD2 4.08Å; A1742-L1759 HydrophobicContact CB-CG 4.4Å; A1742-Y1760 HydrophobicContact CB-CD2 4.05Å; A1742-Y1760 HydrophobicContact CB-CG 4.42Å |
| 1743 | Y | 58.6 | Low | 54.3 | Low | 128 Ų | 128 | 68.8 Ų | 68.8 | 50% | 0.502 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 174.2 | -170 | -101 | 0 | 0 | 0 | 112.3 | L1739 S1745 N1746 L1747 | L1739-Y1743 WeakPolarHBondContact O-CB 3.41Å; L1739-Y1743 PolarHBondContact O-N 3.49Å; Y1743-S1745 VanDerWaalsContact C-N 3.32Å; Y1743-S1745 PolarHBondContact O-N 2.73Å; Y1743-N1746 PolarHBondContact O-N 3.02Å; Y1743-L1747 HydrophobicContact CD1-CD1 3.82Å; Y1743-L1747 HydrophobicContact CE1-CD1 3.35Å; Y1743-L1747 PolarHBondContact O-N 2.7Å |
| 1744 | K | 54 | Low | 54 | Low | 37 Ų | 37 | 70.5 Ų | 70.5 | 16% | 0.161 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61 | -36 | 177 | -171.8 | 176.9 | 178 | -179.9 | 0 | 113.4 | K1740 L1741 E2049 | K1740-K1744 WeakPolarHBondContact O-CB 3.24Å; K1740-K1744 PolarHBondContact O-N 3.47Å; K1740-K1744 VanDerWaalsContact O-N 3.07Å; L1741-K1744 PolarHBondContact O-N 2.94Å; K1744-E2049 VanDerWaalsContact CE-OE2 3.3Å; K1744-E2049 WeakPolarHBondContact CE-OE2 3.37Å; K1744-E2049 IonicContact NZ-OE1 2.6Å; K1744-E2049 PolarHBondContact NZ-OE1 2.86Å; K1744-E2049 IonicContact NZ-OE2 3.87Å; K1744-E2049 PolarHBondContact NZ-OE2 3.02Å |
| 1745 | S | 55 | Low | 53.4 | Low | 26 Ų | 26 | 72.5 Ų | 72.5 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -81.8 | -21 | 180 | 49.5 | 0 | 0 | 0 | 0 | 114.4 | L1741 A1742 Y1743 S1748 S1756 | L1741-S1745 PolarHBondContact O-N 3.42Å; L1741-S1745 PolarHBondContact O-OG 3.46Å; A1742-S1745 PolarHBondContact O-N 3.17Å; A1742-S1745 PolarHBondContact O-OG 2.92Å; A1742-S1745 VanDerWaalsContact O-OG 3.05Å; Y1743-S1745 VanDerWaalsContact C-N 3.32Å; Y1743-S1745 PolarHBondContact O-N 2.73Å; S1745-S1748 PolarHBondContact O-OG 3.49Å; S1745-S1748 VanDerWaalsContact O-OG 3.04Å; S1745-S1756 VanDerWaalsContact OG-CB 3.31Å; S1745-S1756 WeakPolarHBondContact OG-CB 3.29Å |
| 1746 | N | 52.2 | Low | 52.8 | Low | 74 Ų | 74 | 73 Ų | 73 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -78 | -25.3 | 173 | -92.3 | -8.4 | 0 | 0 | 0 | 113.5 | A1742 Y1743 | A1742-N1746 PolarHBondContact O-N 3.09Å; Y1743-N1746 PolarHBondContact O-N 3.02Å |
| 1747 | L | 48.7 | Very low | 53 | Low | 102 Ų | 102 | 77 Ų | 77 | 53% | 0.534 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -79.7 | -20.5 | 178.3 | -91.2 | 153.5 | 0 | 0 | 0 | 113.6 | Y1743 | Y1743-L1747 HydrophobicContact CD1-CD1 3.82Å; Y1743-L1747 HydrophobicContact CE1-CD1 3.35Å; Y1743-L1747 PolarHBondContact O-N 2.7Å |
| 1748 | S | 47.5 | Very low | 53.2 | Low | 56 Ų | 56 | 76.4 Ų | 76.4 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -84.3 | -12.9 | -169.2 | 50.5 | 0 | 0 | 0 | 0 | 116.1 | S1745 | S1745-S1748 PolarHBondContact O-OG 3.49Å; S1745-S1748 VanDerWaalsContact O-OG 3.04Å |
| 1749 | N | 41.6 | Very low | 53.5 | Low | 120 Ų | 120 | 76.4 Ų | 76.4 | 64% | 0.642 | 41% | 0.408 | S | S | * | . | trans | -176.7 | 132.6 | 169 | -94.4 | -27.7 | 0 | 0 | 0 | 110.3 | E1751 | N1749-E1751 PolarHBondContact O-N 3.43Å; N1749-E1751 VanDerWaalsContact O-N 3.11Å | ||
| 1750 | Q | 41.8 | Very low | 53.7 | Low | 205 Ų | 205 | 76.1 Ų | 76.1 | 96% | 0.958 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 0.9 | 173.3 | -78.1 | -175.5 | -12.9 | 0 | 0 | 113.8 | ||
| 1751 | E | 36.6 | Very low | 54.1 | Low | 189 Ų | 189 | 72.5 Ų | 72.5 | 88% | 0.883 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.7 | 5.9 | -167.5 | -67.2 | -165 | 155.1 | 0 | 0 | 118.7 | N1749 | N1749-E1751 PolarHBondContact O-N 3.43Å; N1749-E1751 VanDerWaalsContact O-N 3.11Å |
| 1752 | S | 32.8 | Very low | 54.6 | Low | 90 Ų | 90 | 72 Ų | 72 | 63% | 0.629 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -131.6 | 107.2 | -178.5 | 65.1 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1753 | G | 45.7 | Very low | 55 | Low | 46 Ų | 46 | 72 Ų | 72 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | trans | 107.2 | 122.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | S1755 S1756 | G1753-S1755 VanDerWaalsContact C-N 3.26Å; G1753-S1755 PolarHBondContact O-N 2.89Å; G1753-S1756 PolarHBondContact O-OG 2.83Å | ||
| 1754 | P | 51.7 | Low | 55.3 | Low | 126 Ų | 126 | 68.3 Ų | 68.3 | 82% | 0.818 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -69.7 | -4.6 | 179.4 | 26.5 | -33.8 | 0 | 0 | 0 | 116.5 | ||
| 1755 | S | 52.1 | Low | 56.2 | Low | 59 Ų | 59 | 70.6 Ų | 70.6 | 41% | 0.413 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -84.2 | -34.2 | -174.2 | 50.2 | 0 | 0 | 0 | 0 | 114.9 | G1753 A1758 L1759 | G1753-S1755 VanDerWaalsContact C-N 3.26Å; G1753-S1755 PolarHBondContact O-N 2.89Å; S1755-A1758 WeakPolarHBondContact O-CB 3.29Å; S1755-A1758 PolarHBondContact O-N 3.3Å; S1755-L1759 PolarHBondContact O-N 2.77Å |
| 1756 | S | 52.8 | Low | 56.8 | Low | 14 Ų | 14 | 69.4 Ų | 69.4 | 10% | 0.098 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.7 | -36.6 | 177.9 | 31 | 0 | 0 | 0 | 0 | 112.6 | S1745 G1753 A1758 L1759 Y1760 | S1745-S1756 VanDerWaalsContact OG-CB 3.31Å; S1745-S1756 WeakPolarHBondContact OG-CB 3.29Å; G1753-S1756 PolarHBondContact O-OG 2.83Å; S1756-A1758 VanDerWaalsContact C-N 3.3Å; S1756-A1758 PolarHBondContact O-N 3.24Å; S1756-L1759 PolarHBondContact O-N 2.87Å; S1756-Y1760 PolarHBondContact O-N 3.23Å |
| 1757 | Y | 64.4 | Low | 57.5 | Low | 151 Ų | 151 | 69.1 Ų | 69.1 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.2 | -34.1 | 173.5 | -167.6 | -96.5 | 0 | 0 | 0 | 112.2 | Y1760 A1761 | Y1757-Y1760 PolarHBondContact O-N 3.17Å; Y1757-A1761 WeakPolarHBondContact O-CB 3.38Å; Y1757-A1761 PolarHBondContact O-N 3.37Å |
| 1758 | A | 66.7 | Low | 58.2 | Low | 12 Ų | 12 | 65.2 Ų | 65.2 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1718 L1721 S1755 S1756 Y1760 A1761 S1762 | A1718-A1758 HydrophobicContact CB-CB 3.83Å; L1721-A1758 HydrophobicContact CD1-CB 4.19Å; S1755-A1758 WeakPolarHBondContact O-CB 3.29Å; S1755-A1758 PolarHBondContact O-N 3.3Å; S1756-A1758 VanDerWaalsContact C-N 3.3Å; S1756-A1758 PolarHBondContact O-N 3.24Å; A1758-Y1760 VanDerWaalsContact C-N 3.35Å; A1758-Y1760 PolarHBondContact O-N 3.06Å; A1758-A1761 PolarHBondContact O-N 3.37Å; A1758-S1762 WeakPolarHBondContact O-CB 3.47Å; A1758-S1762 PolarHBondContact O-N 3.41Å; A1758-S1762 PolarHBondContact O-OG 3.04Å |
| 1759 | L | 70.3 | Confident | 59.2 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.4 | -167.7 | 79 | 0 | 0 | 0 | 111.3 | I1713 L1721 A1742 S1755 S1756 S1763 | I1713-L1759 HydrophobicContact CD1-CD1 4.07Å; I1713-L1759 HydrophobicContact CG1-CD1 3.86Å; L1721-L1759 HydrophobicContact CD1-CB 4.42Å; L1721-L1759 HydrophobicContact CD1-CD1 4.23Å; L1721-L1759 HydrophobicContact CD2-CD1 3.7Å; A1742-L1759 HydrophobicContact CB-CB 4.41Å; A1742-L1759 HydrophobicContact CB-CD2 4.08Å; A1742-L1759 HydrophobicContact CB-CG 4.4Å; S1755-L1759 PolarHBondContact O-N 2.77Å; S1756-L1759 PolarHBondContact O-N 2.87Å; L1759-S1763 WeakPolarHBondContact O-CB 3.32Å; L1759-S1763 PolarHBondContact O-N 3.39Å; L1759-S1763 PolarHBondContact O-OG 3.17Å |
| 1760 | Y | 69.7 | Low | 60.3 | Low | 36 Ų | 36 | 62.5 Ų | 62.5 | 14% | 0.141 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -50.6 | 177.3 | -175.1 | -106.1 | 0 | 0 | 0 | 112.1 | L1739 A1742 S1756 Y1757 A1758 S1763 K1764 I1793 | L1739-Y1760 HydrophobicContact CD2-CD2 4.31Å; L1739-Y1760 HydrophobicContact CD2-CE2 4.22Å; A1742-Y1760 HydrophobicContact CB-CD2 4.05Å; A1742-Y1760 HydrophobicContact CB-CG 4.42Å; S1756-Y1760 PolarHBondContact O-N 3.23Å; Y1757-Y1760 PolarHBondContact O-N 3.17Å; A1758-Y1760 VanDerWaalsContact C-N 3.35Å; A1758-Y1760 PolarHBondContact O-N 3.06Å; Y1760-S1763 PolarHBondContact O-OG 2.91Å; Y1760-K1764 VanDerWaalsContact O-CB 3.25Å; Y1760-K1764 WeakPolarHBondContact O-CB 3.46Å; Y1760-K1764 PolarHBondContact O-N 3.37Å; Y1760-I1793 WeakPolarHBondContact OH-CG2 3.4Å |
| 1761 | A | 68 | Low | 61.1 | Low | 38 Ų | 38 | 54.4 Ų | 54.4 | 31% | 0.314 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1757 A1758 K1764 E1765 | Y1757-A1761 WeakPolarHBondContact O-CB 3.38Å; Y1757-A1761 PolarHBondContact O-N 3.37Å; A1758-A1761 PolarHBondContact O-N 3.37Å; A1761-K1764 PolarHBondContact O-N 3.03Å; A1761-E1765 PolarHBondContact O-N 3.11Å |
| 1762 | S | 73.7 | Confident | 62.2 | Low | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.1 | -39.2 | 179.8 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | A1718 N1722 A1758 E1765 A1766 | A1718-S1762 PolarHBondContact O-OG 2.98Å; A1718-S1762 VanDerWaalsContact O-OG 3.12Å; N1722-S1762 WeakPolarHBondContact OD1-CA 3.37Å; N1722-S1762 WeakPolarHBondContact OD1-CB 3.36Å; N1722-S1762 PolarHBondContact OD1-OG 3.3Å; A1758-S1762 WeakPolarHBondContact O-CB 3.47Å; A1758-S1762 PolarHBondContact O-N 3.41Å; A1758-S1762 PolarHBondContact O-OG 3.04Å; S1762-E1765 PolarHBondContact O-N 3.3Å; S1762-A1766 WeakPolarHBondContact O-CB 3.33Å; S1762-A1766 PolarHBondContact O-N 3.4Å |
| 1763 | S | 70.6 | Confident | 63.6 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.5 | -31 | 174.8 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | L1759 Y1760 L1767 | L1759-S1763 WeakPolarHBondContact O-CB 3.32Å; L1759-S1763 PolarHBondContact O-N 3.39Å; L1759-S1763 PolarHBondContact O-OG 3.17Å; Y1760-S1763 PolarHBondContact O-OG 2.91Å; S1763-L1767 WeakPolarHBondContact O-CB 3.27Å; S1763-L1767 PolarHBondContact O-N 3.07Å; S1763-L1767 VanDerWaalsContact O-N 3.09Å |
| 1764 | K | 66.1 | Low | 64.1 | Low | 51 Ų | 51 | 56.3 Ų | 56.3 | 22% | 0.222 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 168.1 | 175 | 177.7 | 169.8 | 175.2 | 0 | 111.8 | Y1760 A1761 L1767 I1768 L1795 | Y1760-K1764 VanDerWaalsContact O-CB 3.25Å; Y1760-K1764 WeakPolarHBondContact O-CB 3.46Å; Y1760-K1764 PolarHBondContact O-N 3.37Å; A1761-K1764 PolarHBondContact O-N 3.03Å; K1764-L1767 PolarHBondContact O-N 2.81Å; K1764-I1768 HydrophobicContact CG-CD1 4.12Å; K1764-I1768 WeakPolarHBondContact O-CG1 3.34Å; K1764-I1768 PolarHBondContact O-N 2.71Å; K1764-I1768 VanDerWaalsContact O-N 3.13Å; K1764-L1795 HydrophobicContact CD-CD2 3.92Å; K1764-L1795 VanDerWaalsContact CE-CD2 3.47Å; K1764-L1795 HydrophobicContact CG-CD2 4.27Å |
| 1765 | E | 71.5 | Confident | 64.1 | Low | 86 Ų | 86 | 51.1 Ų | 51.1 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 177.9 | -94.9 | -64.2 | 175 | 0 | 0 | 112.6 | A1761 S1762 L1767 I1768 V1769 | A1761-E1765 PolarHBondContact O-N 3.11Å; S1762-E1765 PolarHBondContact O-N 3.3Å; E1765-L1767 VanDerWaalsContact C-N 3.28Å; E1765-L1767 PolarHBondContact O-N 2.97Å; E1765-I1768 PolarHBondContact O-N 2.77Å; E1765-V1769 WeakPolarHBondContact O-CG2 3.35Å; E1765-V1769 PolarHBondContact O-N 3.45Å |
| 1766 | A | 69.4 | Low | 64.4 | Low | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | L1725 L1735 S1762 V1769 T1770 | L1725-A1766 HydrophobicContact CB-CB 3.76Å; L1725-A1766 VanDerWaalsContact O-CB 3.31Å; L1725-A1766 WeakPolarHBondContact O-CB 3.43Å; L1735-A1766 HydrophobicContact CD2-CB 3.67Å; S1762-A1766 WeakPolarHBondContact O-CB 3.33Å; S1762-A1766 PolarHBondContact O-N 3.4Å; A1766-V1769 PolarHBondContact O-N 3.04Å; A1766-T1770 PolarHBondContact O-N 3.39Å; A1766-T1770 PolarHBondContact O-OG1 3.32Å |
| 1767 | L | 65.9 | Low | 64.5 | Low | 67 Ų | 67 | 58.6 Ų | 58.6 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 173.4 | -166.3 | 98.5 | 0 | 0 | 0 | 111.8 | L1739 S1763 K1764 E1765 V1769 T1770 L1771 | L1739-L1767 HydrophobicContact CD1-CD1 4.32Å; S1763-L1767 WeakPolarHBondContact O-CB 3.27Å; S1763-L1767 PolarHBondContact O-N 3.07Å; S1763-L1767 VanDerWaalsContact O-N 3.09Å; K1764-L1767 PolarHBondContact O-N 2.81Å; E1765-L1767 VanDerWaalsContact C-N 3.28Å; E1765-L1767 PolarHBondContact O-N 2.97Å; L1767-V1769 VanDerWaalsContact C-N 3.35Å; L1767-T1770 WeakPolarHBondContact CA-OG1 3.17Å; L1767-T1770 PolarHBondContact O-N 3.38Å; L1767-T1770 PolarHBondContact O-OG1 2.94Å; L1767-T1770 VanDerWaalsContact O-OG1 3.09Å; L1767-L1771 HydrophobicContact CD2-CD1 4.11Å; L1767-L1771 HydrophobicContact CG-CD1 4.22Å; L1767-L1771 WeakPolarHBondContact O-CB 3.32Å; L1767-L1771 VanDerWaalsContact O-CG 3.29Å; L1767-L1771 WeakPolarHBondContact O-CG 3.37Å; L1767-L1771 PolarHBondContact O-N 2.96Å |
| 1768 | I | 63.9 | Low | 63.5 | Low | 21 Ų | 21 | 53.1 Ų | 53.1 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 177.8 | -67.8 | 167 | 0 | 0 | 0 | 110.6 | K1764 E1765 L1771 R1772 L1801 | K1764-I1768 HydrophobicContact CG-CD1 4.12Å; K1764-I1768 WeakPolarHBondContact O-CG1 3.34Å; K1764-I1768 PolarHBondContact O-N 2.71Å; K1764-I1768 VanDerWaalsContact O-N 3.13Å; E1765-I1768 PolarHBondContact O-N 2.77Å; I1768-L1771 PolarHBondContact O-N 3.36Å; I1768-R1772 HydrophobicContact CG2-CG 4.46Å; I1768-R1772 WeakPolarHBondContact O-CB 3.47Å; I1768-R1772 WeakPolarHBondContact O-CG 3.4Å; I1768-R1772 PolarHBondContact O-N 2.8Å; I1768-L1801 HydrophobicContact CG2-CD1 4.2Å |
| 1769 | V | 68.2 | Low | 62.3 | Low | 58 Ų | 58 | 58 Ų | 58 | 35% | 0.352 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | E1765 A1766 L1767 R1772 R1773 | E1765-V1769 WeakPolarHBondContact O-CG2 3.35Å; E1765-V1769 PolarHBondContact O-N 3.45Å; A1766-V1769 PolarHBondContact O-N 3.04Å; L1767-V1769 VanDerWaalsContact C-N 3.35Å; V1769-R1772 PolarHBondContact O-N 2.93Å; V1769-R1773 WeakPolarHBondContact O-CB 3.2Å; V1769-R1773 PolarHBondContact O-N 3.04Å; V1769-R1773 VanDerWaalsContact O-N 3.08Å |
| 1770 | T | 64.9 | Low | 60.8 | Low | 61 Ų | 61 | 70.3 Ų | 70.3 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 176.4 | 25.3 | 0 | 0 | 0 | 0 | 111.9 | A1766 L1767 R1773 L1774 | A1766-T1770 PolarHBondContact O-N 3.39Å; A1766-T1770 PolarHBondContact O-OG1 3.32Å; L1767-T1770 WeakPolarHBondContact CA-OG1 3.17Å; L1767-T1770 PolarHBondContact O-N 3.38Å; L1767-T1770 PolarHBondContact O-OG1 2.94Å; L1767-T1770 VanDerWaalsContact O-OG1 3.09Å; T1770-R1773 PolarHBondContact O-N 3.11Å; T1770-L1774 PolarHBondContact O-N 3.28Å; T1770-L1774 VanDerWaalsContact O-N 3.07Å |
| 1771 | L | 57.5 | Low | 58.9 | Low | 35 Ų | 35 | 72.9 Ų | 72.9 | 18% | 0.183 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.3 | -74.6 | 169.5 | 0 | 0 | 0 | 112.1 | L1767 I1768 R1773 L1774 L1775 L1805 | L1767-L1771 HydrophobicContact CD2-CD1 4.11Å; L1767-L1771 HydrophobicContact CG-CD1 4.22Å; L1767-L1771 WeakPolarHBondContact O-CB 3.32Å; L1767-L1771 VanDerWaalsContact O-CG 3.29Å; L1767-L1771 WeakPolarHBondContact O-CG 3.37Å; L1767-L1771 PolarHBondContact O-N 2.96Å; I1768-L1771 PolarHBondContact O-N 3.36Å; L1771-R1773 PolarHBondContact O-N 3.13Å; L1771-L1774 PolarHBondContact O-N 3.37Å; L1771-L1775 WeakPolarHBondContact O-CB 3.41Å; L1771-L1775 VanDerWaalsContact O-CD1 3.27Å; L1771-L1775 WeakPolarHBondContact O-CD1 3.13Å; L1771-L1775 WeakPolarHBondContact O-CG 3.38Å; L1771-L1775 PolarHBondContact O-N 2.94Å; L1771-L1775 VanDerWaalsContact O-N 3.13Å; L1771-L1805 HydrophobicContact CD1-CD2 4.47Å; L1771-L1805 HydrophobicContact CD2-CD2 4.21Å |
| 1772 | R | 59.3 | Low | 57.2 | Low | 125 Ų | 125 | 79.2 Ų | 79.2 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.4 | -34.8 | 176.9 | -80.1 | 178.3 | -177.6 | 167.2 | 4.3 | 112.6 | I1768 V1769 S1776 L1801 | I1768-R1772 HydrophobicContact CG2-CG 4.46Å; I1768-R1772 WeakPolarHBondContact O-CB 3.47Å; I1768-R1772 WeakPolarHBondContact O-CG 3.4Å; I1768-R1772 PolarHBondContact O-N 2.8Å; V1769-R1772 PolarHBondContact O-N 2.93Å; R1772-S1776 PolarHBondContact O-N 3.48Å; R1772-L1801 HydrophobicContact CG-CD1 4.15Å |
| 1773 | R | 63.3 | Low | 54.9 | Low | 125 Ų | 125 | 84.1 Ų | 84.1 | 47% | 0.472 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.7 | -48.1 | -179.1 | -160.4 | 176.4 | 179.4 | 158.5 | 1.4 | 112.1 | E1728 V1769 T1770 L1771 L1775 S1776 | E1728-R1773 VanDerWaalsContact CD-NH2 3.26Å; E1728-R1773 VanDerWaalsContact CG-NH1 3.28Å; E1728-R1773 IonicContact OE1-CZ 3.11Å; E1728-R1773 IonicContact OE1-NH1 3.21Å; E1728-R1773 PolarHBondContact OE1-NH1 2.78Å; E1728-R1773 IonicContact OE1-NH2 2.64Å; E1728-R1773 PolarHBondContact OE1-NH2 2.71Å; E1728-R1773 IonicContact OE2-NH2 3.6Å; V1769-R1773 WeakPolarHBondContact O-CB 3.2Å; V1769-R1773 PolarHBondContact O-N 3.04Å; V1769-R1773 VanDerWaalsContact O-N 3.08Å; T1770-R1773 PolarHBondContact O-N 3.11Å; L1771-R1773 PolarHBondContact O-N 3.13Å; R1773-L1775 PolarHBondContact O-N 3.45Å; R1773-S1776 PolarHBondContact O-N 3.23Å; R1773-S1776 PolarHBondContact O-OG 3.09Å |
| 1774 | L | 55.1 | Low | 52.8 | Low | 114 Ų | 114 | 86.6 Ų | 86.6 | 60% | 0.597 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -56.3 | -34 | 173.4 | -79 | 163.6 | 0 | 0 | 0 | 112.5 | T1770 L1771 S1776 L1808 | T1770-L1774 PolarHBondContact O-N 3.28Å; T1770-L1774 VanDerWaalsContact O-N 3.07Å; L1771-L1774 PolarHBondContact O-N 3.37Å; L1774-S1776 VanDerWaalsContact C-N 3.33Å; L1774-L1808 HydrophobicContact CB-CD1 4.22Å |
| 1775 | L | 52.3 | Low | 50.8 | Low | 17 Ų | 17 | 90.2 Ų | 90.2 | 9% | 0.089 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -72 | -23.2 | 177.1 | -72.7 | 164.3 | 0 | 0 | 0 | 113.7 | L1771 R1773 S1778 R1804 S1807 L1808 | L1771-L1775 WeakPolarHBondContact O-CB 3.41Å; L1771-L1775 VanDerWaalsContact O-CD1 3.27Å; L1771-L1775 WeakPolarHBondContact O-CD1 3.13Å; L1771-L1775 WeakPolarHBondContact O-CG 3.38Å; L1771-L1775 PolarHBondContact O-N 2.94Å; L1771-L1775 VanDerWaalsContact O-N 3.13Å; R1773-L1775 PolarHBondContact O-N 3.45Å; L1775-S1778 PolarHBondContact O-OG 3.17Å; L1775-R1804 HydrophobicContact CD1-CB 3.77Å; L1775-R1804 HydrophobicContact CD2-CB 4.17Å; L1775-R1804 WeakPolarHBondContact CD2-O 3.46Å; L1775-R1804 HydrophobicContact CG-CB 4.44Å; L1775-S1807 WeakPolarHBondContact CD2-OG 3.46Å; L1775-L1808 HydrophobicContact CD2-CB 4.16Å; L1775-L1808 HydrophobicContact CD2-CD1 3.63Å; L1775-L1808 HydrophobicContact CG-CD1 3.95Å |
| 1776 | S | 59.4 | Low | 48.7 | Very low | 84 Ų | 84 | 86.6 Ų | 86.6 | 59% | 0.587 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -79.4 | -21.2 | -177.2 | 67.3 | 0 | 0 | 0 | 0 | 114.9 | R1772 R1773 L1774 | R1772-S1776 PolarHBondContact O-N 3.48Å; R1773-S1776 PolarHBondContact O-N 3.23Å; R1773-S1776 PolarHBondContact O-OG 3.09Å; L1774-S1776 VanDerWaalsContact C-N 3.33Å |
| 1777 | D | 54.2 | Low | 46.7 | Very low | 146 Ų | 146 | 90.5 Ų | 90.5 | 78% | 0.781 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1.2 | 180 | -71.5 | -30.1 | 0 | 0 | 0 | 113.8 | ||
| 1778 | S | 44.2 | Very low | 44.8 | Very low | 36 Ų | 36 | 89.2 Ų | 89.2 | 25% | 0.252 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -89.7 | 141.8 | -178.9 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | L1775 R1780 | L1775-S1778 PolarHBondContact O-OG 3.17Å; S1778-R1780 PolarHBondContact O-N 3.45Å |
| 1779 | P | 40.7 | Very low | 43 | Very low | 115 Ų | 115 | 93.7 Ų | 93.7 | 75% | 0.747 | 48% | 0.482 | S | S | * | . | trans | -66.6 | 131.7 | -178 | 24 | -31.3 | 0 | 0 | 0 | 112.9 | S1781 | P1779-S1781 VanDerWaalsContact C-N 3.28Å; P1779-S1781 PolarHBondContact O-N 3.13Å | ||
| 1780 | R | 37.9 | Very low | 41 | Very low | 259 Ų | 259 | 98.6 Ų | 98.6 | 98% | 0.977 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -68.5 | 20.6 | -165.2 | -74.4 | -173.5 | 175.3 | 177 | -0.2 | 118.3 | S1778 | S1778-R1780 PolarHBondContact O-N 3.45Š|
| 1781 | S | 30.9 | Very low | 39.2 | Very low | 89 Ų | 89 | 102.8 Ų | 102.8 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | trans | -126.8 | 55.4 | -172 | 69.1 | 0 | 0 | 0 | 0 | 115.5 | P1779 | P1779-S1781 VanDerWaalsContact C-N 3.28Å; P1779-S1781 PolarHBondContact O-N 3.13Å | ||
| 1782 | F | 31.8 | Very low | 37.8 | Very low | 172 Ų | 172 | 110.3 Ų | 110.3 | 75% | 0.754 | 55% | 0.551 | S | S | * | * | trans | -148 | 126 | 162.1 | -81.2 | -77.1 | 0 | 0 | 0 | 110.8 | ||||
| 1783 | S | 25.7 | Very low | 36.4 | Very low | 104 Ų | 104 | 107.3 Ų | 107.3 | 73% | 0.727 | 54% | 0.544 | S | S | * | . | trans | -123.9 | 113.3 | 179.4 | 61.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1784 | V | 25.7 | Very low | 34.8 | Very low | 53 Ų | 53 | 109.8 Ų | 109.8 | 32% | 0.321 | 56% | 0.56 | S | S | . | * | trans | -152 | 134.9 | 141 | -169.8 | 0 | 0 | 0 | 0 | 108 | F1786 C1806 H1848 | V1784-F1786 HydrophobicContact CB-CE2 4.4Å; V1784-F1786 HydrophobicContact CG1-CD2 4.36Å; V1784-F1786 HydrophobicContact CG1-CE2 3.53Å; V1784-F1786 HydrophobicContact CG1-CZ 4.12Å; V1784-C1806 WeakPolarHBondContact O-CB 3Å; V1784-H1848 HydrophobicContact CG1-CB 3.81Å | ||
| 1785 | Y | 24.2 | Very low | 33.8 | Very low | 126 Ų | 126 | 109 Ų | 109 | 49% | 0.494 | 56% | 0.556 | S | S | . | * | trans | -88.8 | 154.9 | -173.7 | -83.1 | -133.3 | 0 | 0 | 0 | 112.2 | D1803 H1848 | Y1785-D1803 HydrophobicContact CD1-CB 4.17Å; Y1785-D1803 WeakPolarHBondContact CD1-OD1 3.41Å; Y1785-D1803 HydrophobicContact CD2-CB 4.27Å; Y1785-D1803 HydrophobicContact CE1-CB 3.89Å; Y1785-D1803 WeakPolarHBondContact CE1-OD1 3.39Å; Y1785-D1803 WeakPolarHBondContact CE1-OD2 3.37Å; Y1785-D1803 HydrophobicContact CE2-CB 3.96Å; Y1785-D1803 HydrophobicContact CG-CB 4.29Å; Y1785-D1803 VanDerWaalsContact CG-OD1 3.31Å; Y1785-D1803 PolarHBondContact OH-OD2 3.18Å; Y1785-H1848 PolarHBondContact O-CD2 3.21Å | ||
| 1786 | F | 28.6 | Very low | 33.2 | Very low | 10 Ų | 10 | 115.4 Ų | 115.4 | 4% | 0.044 | 59% | 0.591 | C | S | . | * | trans | -161.8 | 157.4 | 167.8 | -83.6 | -60.5 | 0 | 0 | 0 | 119.7 | V1784 C1806 A1844 N1845 R1847 H1848 | V1784-F1786 HydrophobicContact CB-CE2 4.4Å; V1784-F1786 HydrophobicContact CG1-CD2 4.36Å; V1784-F1786 HydrophobicContact CG1-CE2 3.53Å; V1784-F1786 HydrophobicContact CG1-CZ 4.12Å; F1786-C1806 PolarHBondContact N-SG 3Å; F1786-C1806 VanDerWaalsContact N-SG 3.37Å; F1786-A1844 HydrophobicContact CB-CB 3.27Å; F1786-A1844 WeakPolarHBondContact CD1-O 3.3Å; F1786-A1844 HydrophobicContact CD2-CB 4.02Å; F1786-A1844 WeakPolarHBondContact CD2-O 3.4Å; F1786-A1844 WeakPolarHBondContact CE1-O 3.4Å; F1786-A1844 WeakPolarHBondContact CE2-O 3.45Å; F1786-A1844 VanDerWaalsContact CG-CA 3.42Å; F1786-A1844 HydrophobicContact CG-CB 3.71Å; F1786-A1844 WeakPolarHBondContact CG-O 3.38Å; F1786-A1844 WeakPolarHBondContact CZ-O 3.3Å; F1786-N1845 HydrophobicContact CD2-CB 4.42Å; F1786-N1845 VanDerWaalsContact CD2-N 3.32Å; F1786-N1845 HydrophobicContact CE2-CB 4.17Å; F1786-N1845 VanDerWaalsContact CE2-O 3.3Å; F1786-N1845 WeakPolarHBondContact CE2-O 3.42Å; F1786-N1845 WeakPolarHBondContact CZ-O 3.4Å; F1786-R1847 HydrophobicContact CD1-CB 3.67Å; F1786-R1847 HydrophobicContact CE1-CB 3.3Å; F1786-R1847 HydrophobicContact CZ-CB 4.48Å; F1786-H1848 AromaticContact CD1-CD2 3.62Å; F1786-H1848 HydrophobicContact CE1-CB 3.8Å; F1786-H1848 AromaticContact CE1-CD2 3.26Å; F1786-H1848 WeakPolarHBondContact CE1-CD2 3.27Å; F1786-H1848 AromaticContact CE1-CG 3.84Å; F1786-H1848 HydrophobicContact CE2-CB 4.2Å; F1786-H1848 HydrophobicContact CZ-CB 3.45Å; F1786-H1848 VanDerWaalsContact CZ-CB 3.45Å; F1786-H1848 AromaticContact CZ-CD2 3.68Å; F1786-H1848 AromaticContact CZ-CG 3.95Å | ||
| 1787 | Y | 26.2 | Very low | 32.3 | Very low | 83 Ų | 83 | 113.7 Ų | 113.7 | 33% | 0.325 | 58% | 0.578 | S | S | . | * | trans | -135.8 | 141.4 | 165.8 | -101.6 | -92.6 | 0 | 0 | 0 | 110.7 | C1797 L1799 C1802 R1847 | Y1787-C1797 PolarHBondContact OH-O 2.8Å; Y1787-L1799 HydrophobicContact CE2-CD1 3.8Å; Y1787-L1799 HydrophobicContact CE2-CG 3.97Å; Y1787-C1802 HydrophobicContact CD2-CB 3.97Å; Y1787-C1802 HydrophobicContact CE2-CB 3.6Å; Y1787-C1802 WeakPolarHBondContact CE2-SG 2.86Å; Y1787-C1802 PolarHBondContact OH-SG 3.48Å; Y1787-C1802 VanDerWaalsContact OH-SG 3.41Å; Y1787-R1847 WeakPolarHBondContact O-CD 3.31Å; Y1787-R1847 PolarHBondContact O-NH1 3.44Å | ||
| 1788 | A | 26.1 | Very low | 31.8 | Very low | 41 Ų | 41 | 113.1 Ų | 113.1 | 34% | 0.339 | 58% | 0.575 | S | S | . | * | trans | -154.7 | 127.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1843 | A1788-L1843 HydrophobicContact CB-CB 4.45Š| ||
| 1789 | D | 25.8 | Very low | 32 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 62% | 0.615 | 60% | 0.595 | S | S | * | * | trans | -75.5 | 130.1 | 175 | -60 | -60.6 | 0 | 0 | 0 | 111.3 | ||||
| 1790 | N | 26.6 | Very low | 32.4 | Very low | 160 Ų | 160 | 115 Ų | 115 | 86% | 0.856 | 58% | 0.584 | S | S | * | * | trans | 178.5 | 53.1 | 140.3 | -86.3 | -24.5 | 0 | 0 | 0 | 111.6 | ||||
| 1791 | F | 27.4 | Very low | 32.8 | Very low | 149 Ų | 149 | 104.1 Ų | 104.1 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | trans | -126.1 | 107.4 | 143.6 | -93.4 | -91.5 | 0 | 0 | 0 | 104.4 | I1793 | F1791-I1793 HydrophobicContact CD1-CD1 4.4Å; F1791-I1793 PolarHBondContact O-N 3.49Å | ||
| 1792 | K | 27.3 | Very low | 33.7 | Very low | 194 Ų | 194 | 101.1 Ų | 101.1 | 84% | 0.843 | 52% | 0.524 | S | S | * | . | trans | -72.7 | 67.3 | 167 | -101.8 | -173.2 | 176.8 | -177.8 | 0 | 108.5 | ||||
| 1793 | I | 30.4 | Very low | 34.3 | Very low | 62 Ų | 62 | 94.4 Ų | 94.4 | 32% | 0.318 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -107.7 | 114.7 | 150.6 | -59.1 | 177.7 | 0 | 0 | 0 | 101.7 | Y1760 F1791 L1795 | Y1760-I1793 WeakPolarHBondContact OH-CG2 3.4Å; F1791-I1793 HydrophobicContact CD1-CD1 4.4Å; F1791-I1793 PolarHBondContact O-N 3.49Å; I1793-L1795 HydrophobicContact CG2-CG 4.19Å; I1793-L1795 PolarHBondContact O-N 3.46Å |
| 1794 | E | 30 | Very low | 35.2 | Very low | 176 Ų | 176 | 97 Ų | 97 | 82% | 0.822 | 49% | 0.49 | S | S | * | . | trans | -58.8 | 86.1 | 175.1 | -72.2 | 173.6 | 166.5 | 0 | 0 | 109.2 | ||||
| 1795 | L | 35.2 | Very low | 36.2 | Very low | 97 Ų | 97 | 97.3 Ų | 97.3 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | trans | -97.7 | 75.8 | 169 | -75.6 | 167.7 | 0 | 0 | 0 | 106.2 | K1764 I1793 C1797 | K1764-L1795 HydrophobicContact CD-CD2 3.92Å; K1764-L1795 VanDerWaalsContact CE-CD2 3.47Å; K1764-L1795 HydrophobicContact CG-CD2 4.27Å; I1793-L1795 HydrophobicContact CG2-CG 4.19Å; I1793-L1795 PolarHBondContact O-N 3.46Å; L1795-C1797 VanDerWaalsContact C-N 3.28Å; L1795-C1797 PolarHBondContact O-N 3.34Å | ||
| 1796 | D | 38.8 | Very low | 37.4 | Very low | 153 Ų | 153 | 92.1 Ų | 92.1 | 82% | 0.818 | 47% | 0.471 | S | S | * | . | trans | -56.5 | 98.8 | 158.4 | -74.8 | -25.6 | 0 | 0 | 0 | 107.1 | ||||
| 1797 | C | 40.9 | Very low | 38.4 | Very low | 47 Ų | 47 | 93.4 Ų | 93.4 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | trans | -132.6 | 135.6 | 178.8 | -75.9 | 0 | 0 | 0 | 0 | 108.7 | Y1787 L1795 | Y1787-C1797 PolarHBondContact OH-O 2.8Å; L1795-C1797 VanDerWaalsContact C-N 3.28Å; L1795-C1797 PolarHBondContact O-N 3.34Å | ||
| 1798 | D | 44 | Very low | 39.5 | Very low | 134 Ų | 134 | 90.7 Ų | 90.7 | 72% | 0.717 | 47% | 0.472 | S | S | * | . | trans | -55 | 135.9 | -179.3 | -77.4 | -40.7 | 0 | 0 | 0 | 112.5 | A1800 L1801 | D1798-A1800 PolarHBondContact O-N 2.97Å; D1798-L1801 PolarHBondContact O-N 2.96Å | ||
| 1799 | L | 47 | Very low | 40.6 | Very low | 128 Ų | 128 | 90.1 Ų | 90.1 | 67% | 0.67 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -45.8 | -28.5 | 179.1 | -133.2 | 85 | 0 | 0 | 0 | 114.2 | Y1787 L1801 | Y1787-L1799 HydrophobicContact CE2-CD1 3.8Å; Y1787-L1799 HydrophobicContact CE2-CG 3.97Å; L1799-L1801 PolarHBondContact O-N 3.31Å |
| 1800 | A | 48.9 | Very low | 41.7 | Very low | 64 Ų | 64 | 86.9 Ų | 86.9 | 53% | 0.529 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -75.2 | -17.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1798 | D1798-A1800 PolarHBondContact O-N 2.97Å |
| 1801 | L | 48.3 | Very low | 42.7 | Very low | 30 Ų | 30 | 82 Ų | 82 | 16% | 0.157 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -84.8 | -29.3 | 178.6 | -149.3 | 128.3 | 0 | 0 | 0 | 111.5 | I1768 R1772 D1798 L1799 D1803 R1804 L1805 | I1768-L1801 HydrophobicContact CG2-CD1 4.2Å; R1772-L1801 HydrophobicContact CG-CD1 4.15Å; D1798-L1801 PolarHBondContact O-N 2.96Å; L1799-L1801 PolarHBondContact O-N 3.31Å; L1801-D1803 VanDerWaalsContact C-N 3.33Å; L1801-D1803 PolarHBondContact O-N 3.33Å; L1801-R1804 PolarHBondContact O-N 3.27Å; L1801-L1805 HydrophobicContact CD2-CD1 4.2Å; L1801-L1805 PolarHBondContact O-N 2.88Å; L1801-L1805 VanDerWaalsContact O-N 3.16Å |
| 1802 | C | 48.1 | Very low | 43.7 | Very low | 25 Ų | 25 | 75.7 Ų | 75.7 | 17% | 0.169 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 173.2 | -70.5 | 0 | 0 | 0 | 0 | 112.3 | Y1787 R1804 L1805 C1806 | Y1787-C1802 HydrophobicContact CD2-CB 3.97Å; Y1787-C1802 HydrophobicContact CE2-CB 3.6Å; Y1787-C1802 WeakPolarHBondContact CE2-SG 2.86Å; Y1787-C1802 PolarHBondContact OH-SG 3.48Å; Y1787-C1802 VanDerWaalsContact OH-SG 3.41Å; C1802-R1804 VanDerWaalsContact C-N 3.33Å; C1802-R1804 PolarHBondContact O-N 3.26Å; C1802-L1805 PolarHBondContact O-N 3.3Å; C1802-C1806 PolarHBondContact O-SG 3.11Å; C1802-C1806 VanDerWaalsContact O-SG 3.37Å |
| 1803 | D | 45.6 | Very low | 44.8 | Very low | 32 Ų | 32 | 70.9 Ų | 70.9 | 17% | 0.171 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.6 | -32.9 | 179 | -52.5 | -27.3 | 0 | 0 | 0 | 113.2 | Y1785 L1801 | Y1785-D1803 HydrophobicContact CD1-CB 4.17Å; Y1785-D1803 WeakPolarHBondContact CD1-OD1 3.41Å; Y1785-D1803 HydrophobicContact CD2-CB 4.27Å; Y1785-D1803 HydrophobicContact CE1-CB 3.89Å; Y1785-D1803 WeakPolarHBondContact CE1-OD1 3.39Å; Y1785-D1803 WeakPolarHBondContact CE1-OD2 3.37Å; Y1785-D1803 HydrophobicContact CE2-CB 3.96Å; Y1785-D1803 HydrophobicContact CG-CB 4.29Å; Y1785-D1803 VanDerWaalsContact CG-OD1 3.31Å; Y1785-D1803 PolarHBondContact OH-OD2 3.18Å; L1801-D1803 VanDerWaalsContact C-N 3.33Å; L1801-D1803 PolarHBondContact O-N 3.33Å |
| 1804 | R | 45.1 | Very low | 45.5 | Very low | 159 Ų | 159 | 72.9 Ų | 72.9 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -78.3 | -37.7 | 179.4 | -66.7 | -176.6 | 176.9 | -179.9 | 0.4 | 111.2 | L1775 L1801 C1802 C1806 S1807 | L1775-R1804 HydrophobicContact CD1-CB 3.77Å; L1775-R1804 HydrophobicContact CD2-CB 4.17Å; L1775-R1804 WeakPolarHBondContact CD2-O 3.46Å; L1775-R1804 HydrophobicContact CG-CB 4.44Å; L1801-R1804 PolarHBondContact O-N 3.27Å; C1802-R1804 VanDerWaalsContact C-N 3.33Å; C1802-R1804 PolarHBondContact O-N 3.26Å; R1804-C1806 PolarHBondContact O-N 3.08Å; R1804-C1806 VanDerWaalsContact O-N 3.14Å; R1804-S1807 PolarHBondContact O-N 2.89Å; R1804-S1807 PolarHBondContact O-OG 3.22Å |
| 1805 | L | 45.7 | Very low | 46.3 | Very low | 58 Ų | 58 | 69.6 Ų | 69.6 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.3 | -30.2 | 173.8 | -79 | 164.3 | 0 | 0 | 0 | 113 | L1771 L1801 C1802 S1807 L1808 | L1771-L1805 HydrophobicContact CD1-CD2 4.47Å; L1771-L1805 HydrophobicContact CD2-CD2 4.21Å; L1801-L1805 HydrophobicContact CD2-CD1 4.2Å; L1801-L1805 PolarHBondContact O-N 2.88Å; L1801-L1805 VanDerWaalsContact O-N 3.16Å; C1802-L1805 PolarHBondContact O-N 3.3Å; L1805-S1807 VanDerWaalsContact C-N 3.33Å; L1805-S1807 PolarHBondContact O-N 3.48Å; L1805-L1808 WeakPolarHBondContact O-CB 3.49Å; L1805-L1808 PolarHBondContact O-N 3.22Å |
| 1806 | C | 49.1 | Very low | 46.7 | Very low | 18 Ų | 18 | 67.2 Ų | 67.2 | 12% | 0.122 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -28.2 | 173.5 | -60.8 | 0 | 0 | 0 | 0 | 114.4 | V1784 F1786 C1802 R1804 L1808 H1809 | V1784-C1806 WeakPolarHBondContact O-CB 3Å; F1786-C1806 PolarHBondContact N-SG 3Å; F1786-C1806 VanDerWaalsContact N-SG 3.37Å; C1802-C1806 PolarHBondContact O-SG 3.11Å; C1802-C1806 VanDerWaalsContact O-SG 3.37Å; R1804-C1806 PolarHBondContact O-N 3.08Å; R1804-C1806 VanDerWaalsContact O-N 3.14Å; C1806-L1808 VanDerWaalsContact C-N 3.35Å; C1806-H1809 WeakPolarHBondContact O-CB 3.4Å; C1806-H1809 PolarHBondContact O-N 3.45Å |
| 1807 | S | 51 | Low | 47 | Very low | 36 Ų | 36 | 69 Ų | 69 | 25% | 0.252 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74.6 | -25 | 176.3 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | L1775 R1804 L1805 H1809 | L1775-S1807 WeakPolarHBondContact CD2-OG 3.46Å; R1804-S1807 PolarHBondContact O-N 2.89Å; R1804-S1807 PolarHBondContact O-OG 3.22Å; L1805-S1807 VanDerWaalsContact C-N 3.33Å; L1805-S1807 PolarHBondContact O-N 3.48Å; S1807-H1809 PolarHBondContact O-N 3.07Å |
| 1808 | L | 47.9 | Very low | 47 | Very low | 27 Ų | 27 | 70.5 Ų | 70.5 | 14% | 0.141 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.3 | -28.6 | 173.6 | -144.6 | 94.9 | 0 | 0 | 0 | 111.8 | L1774 L1775 L1805 C1806 A1811 V1812 F1837 | L1774-L1808 HydrophobicContact CB-CD1 4.22Å; L1775-L1808 HydrophobicContact CD2-CB 4.16Å; L1775-L1808 HydrophobicContact CD2-CD1 3.63Å; L1775-L1808 HydrophobicContact CG-CD1 3.95Å; L1805-L1808 WeakPolarHBondContact O-CB 3.49Å; L1805-L1808 PolarHBondContact O-N 3.22Å; C1806-L1808 VanDerWaalsContact C-N 3.35Å; L1808-A1811 PolarHBondContact O-N 3.25Å; L1808-V1812 WeakPolarHBondContact O-CG2 3.42Å; L1808-V1812 PolarHBondContact O-N 2.92Å; L1808-F1837 HydrophobicContact CB-CE1 4.42Å; L1808-F1837 HydrophobicContact CD2-CD1 4.43Å; L1808-F1837 HydrophobicContact CD2-CE1 3.38Å; L1808-F1837 HydrophobicContact CD2-CE2 4.36Å; L1808-F1837 HydrophobicContact CD2-CZ 3.34Å; L1808-F1837 HydrophobicContact CG-CE1 4.47Å |
| 1809 | H | 48.8 | Very low | 47 | Very low | 29 Ų | 29 | 65.7 Ų | 65.7 | 13% | 0.134 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 179.3 | 170.3 | 74.6 | 0 | 0 | 0 | 113.5 | C1806 S1807 A1811 V1812 Q1813 S1841 N1845 | C1806-H1809 WeakPolarHBondContact O-CB 3.4Å; C1806-H1809 PolarHBondContact O-N 3.45Å; S1807-H1809 PolarHBondContact O-N 3.07Å; H1809-A1811 VanDerWaalsContact C-N 3.29Å; H1809-A1811 PolarHBondContact O-N 3.42Å; H1809-V1812 PolarHBondContact O-N 2.65Å; H1809-Q1813 WeakPolarHBondContact O-CB 3.41Å; H1809-Q1813 PolarHBondContact O-N 3.15Å; H1809-S1841 PolarHBondContact CE1-OG 3.44Å; H1809-S1841 WeakPolarHBondContact ND1-CB 3.4Å; H1809-S1841 PolarHBondContact ND1-OG 3.39Å; H1809-N1845 PolarHBondContact CD2-ND2 2.95Å; H1809-N1845 PolarHBondContact NE2-ND2 2.96Å |
| 1810 | A | 48.8 | Very low | 46.8 | Very low | 47 Ų | 47 | 66.3 Ų | 66.3 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.1 | -35.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1814 | A1810-E1814 WeakPolarHBondContact O-CB 3.39Å; A1810-E1814 PolarHBondContact O-N 3.14Å; A1810-E1814 VanDerWaalsContact O-N 3.15Å |
| 1811 | A | 48.5 | Very low | 46.3 | Very low | 57 Ų | 57 | 67.6 Ų | 67.6 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1808 H1809 M1815 | L1808-A1811 PolarHBondContact O-N 3.25Å; H1809-A1811 VanDerWaalsContact C-N 3.29Å; H1809-A1811 PolarHBondContact O-N 3.42Å; A1811-M1815 VanDerWaalsContact O-CB 3.31Å; A1811-M1815 WeakPolarHBondContact O-CB 3.44Å; A1811-M1815 PolarHBondContact O-N 3.38Å |
| 1812 | V | 49.1 | Very low | 45.7 | Very low | 16 Ų | 16 | 68.8 Ų | 68.8 | 10% | 0.097 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72.3 | -39.1 | 178.7 | 173.2 | 0 | 0 | 0 | 0 | 112.6 | L1808 H1809 M1815 I1816 L1834 | L1808-V1812 WeakPolarHBondContact O-CG2 3.42Å; L1808-V1812 PolarHBondContact O-N 2.92Å; H1809-V1812 PolarHBondContact O-N 2.65Å; V1812-M1815 HydrophobicContact CG1-CE 4.45Å; V1812-M1815 HydrophobicContact CG2-CE 4.21Å; V1812-M1815 WeakPolarHBondContact O-CB 3.49Å; V1812-M1815 PolarHBondContact O-N 2.72Å; V1812-I1816 HydrophobicContact CG1-CD1 4.03Å; V1812-I1816 WeakPolarHBondContact O-CG1 3.49Å; V1812-I1816 PolarHBondContact O-N 2.8Å; V1812-L1834 HydrophobicContact CG1-CD2 3.61Å |
| 1813 | Q | 48.9 | Very low | 45.4 | Very low | 93 Ų | 93 | 76.2 Ų | 76.2 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 173.4 | -80.1 | -113.3 | -36 | 0 | 0 | 112 | H1809 M1815 I1816 R1817 | H1809-Q1813 WeakPolarHBondContact O-CB 3.41Å; H1809-Q1813 PolarHBondContact O-N 3.15Å; Q1813-M1815 VanDerWaalsContact C-N 3.29Å; Q1813-M1815 PolarHBondContact O-N 2.99Å; Q1813-I1816 PolarHBondContact O-N 3.19Å; Q1813-R1817 WeakPolarHBondContact O-CB 3.44Å; Q1813-R1817 PolarHBondContact O-N 2.94Å |
| 1814 | E | 46.6 | Very low | 45 | Very low | 105 Ų | 105 | 81.6 Ų | 81.6 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.6 | -32.2 | 176.4 | -155.1 | 64.4 | -176.8 | 0 | 0 | 111.2 | A1810 R1817 C1818 | A1810-E1814 WeakPolarHBondContact O-CB 3.39Å; A1810-E1814 PolarHBondContact O-N 3.14Å; A1810-E1814 VanDerWaalsContact O-N 3.15Å; E1814-R1817 PolarHBondContact O-N 3.03Å; E1814-C1818 VanDerWaalsContact O-CB 3.31Å; E1814-C1818 WeakPolarHBondContact O-CB 3.43Å; E1814-C1818 PolarHBondContact O-N 3.34Å; E1814-C1818 PolarHBondContact O-SG 3.46Å |
| 1815 | M | 45.8 | Very low | 45.1 | Very low | 106 Ų | 106 | 78.9 Ų | 78.9 | 52% | 0.522 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 173.7 | -160.5 | 172.4 | 54.9 | 0 | 0 | 112.5 | A1811 V1812 Q1813 C1818 S1819 L1834 | A1811-M1815 VanDerWaalsContact O-CB 3.31Å; A1811-M1815 WeakPolarHBondContact O-CB 3.44Å; A1811-M1815 PolarHBondContact O-N 3.38Å; V1812-M1815 HydrophobicContact CG1-CE 4.45Å; V1812-M1815 HydrophobicContact CG2-CE 4.21Å; V1812-M1815 WeakPolarHBondContact O-CB 3.49Å; V1812-M1815 PolarHBondContact O-N 2.72Å; Q1813-M1815 VanDerWaalsContact C-N 3.29Å; Q1813-M1815 PolarHBondContact O-N 2.99Å; M1815-C1818 PolarHBondContact O-N 3.48Å; M1815-S1819 WeakPolarHBondContact O-CB 3.45Å; M1815-S1819 PolarHBondContact O-N 3.1Å; M1815-S1819 PolarHBondContact O-OG 3.43Å; M1815-L1834 HydrophobicContact CE-CD2 4.03Å |
| 1816 | I | 44.8 | Very low | 45.1 | Very low | 48 Ų | 48 | 79.2 Ų | 79.2 | 25% | 0.246 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 172.7 | -66.2 | 164.8 | 0 | 0 | 0 | 111.2 | V1812 Q1813 S1819 N1820 L1834 V1838 | V1812-I1816 HydrophobicContact CG1-CD1 4.03Å; V1812-I1816 WeakPolarHBondContact O-CG1 3.49Å; V1812-I1816 PolarHBondContact O-N 2.8Å; Q1813-I1816 PolarHBondContact O-N 3.19Å; I1816-S1819 WeakPolarHBondContact CA-OG 3.41Å; I1816-S1819 PolarHBondContact O-N 3.37Å; I1816-S1819 PolarHBondContact O-OG 3.48Å; I1816-N1820 PolarHBondContact O-N 3.32Å; I1816-N1820 VanDerWaalsContact O-N 3.15Å; I1816-L1834 HydrophobicContact CD1-CD2 4.41Å; I1816-L1834 HydrophobicContact CG1-CD2 4.34Å; I1816-V1838 HydrophobicContact CD1-CG2 3.76Å |
| 1817 | R | 43.6 | Very low | 45 | Very low | 189 Ų | 189 | 79.8 Ų | 79.8 | 71% | 0.713 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.4 | -38.7 | 176.4 | -153.5 | 179.5 | -167.1 | 157.8 | 4 | 111.6 | Q1813 E1814 | Q1813-R1817 WeakPolarHBondContact O-CB 3.44Å; Q1813-R1817 PolarHBondContact O-N 2.94Å; E1814-R1817 PolarHBondContact O-N 3.03Å |
| 1818 | C | 42.6 | Very low | 44.7 | Very low | 80 Ų | 80 | 82.8 Ų | 82.8 | 54% | 0.541 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.6 | -35.1 | 173.5 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | E1814 M1815 A1821 | E1814-C1818 VanDerWaalsContact O-CB 3.31Å; E1814-C1818 WeakPolarHBondContact O-CB 3.43Å; E1814-C1818 PolarHBondContact O-N 3.34Å; E1814-C1818 PolarHBondContact O-SG 3.46Å; M1815-C1818 PolarHBondContact O-N 3.48Å; C1818-A1821 PolarHBondContact O-N 2.93Å |
| 1819 | S | 43.7 | Very low | 44.6 | Very low | 33 Ų | 33 | 89 Ų | 89 | 23% | 0.231 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -69.3 | -32.4 | 177.3 | 69.5 | 0 | 0 | 0 | 0 | 112.6 | M1815 I1816 A1821 A1822 | M1815-S1819 WeakPolarHBondContact O-CB 3.45Å; M1815-S1819 PolarHBondContact O-N 3.1Å; M1815-S1819 PolarHBondContact O-OG 3.43Å; I1816-S1819 WeakPolarHBondContact CA-OG 3.41Å; I1816-S1819 PolarHBondContact O-N 3.37Å; I1816-S1819 PolarHBondContact O-OG 3.48Å; S1819-A1821 PolarHBondContact O-N 3.46Å; S1819-A1822 PolarHBondContact O-N 3.35Å |
| 1820 | N | 41.8 | Very low | 44.5 | Very low | 140 Ų | 140 | 92.4 Ų | 92.4 | 75% | 0.749 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.8 | 173.2 | -77.7 | -14.6 | 0 | 0 | 0 | 114 | I1816 | I1816-N1820 PolarHBondContact O-N 3.32Å; I1816-N1820 VanDerWaalsContact O-N 3.15Å |
| 1821 | A | 37.7 | Very low | 44.4 | Very low | 91 Ų | 91 | 91.9 Ų | 91.9 | 75% | 0.752 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1818 S1819 | C1818-A1821 PolarHBondContact O-N 2.93Å; S1819-A1821 PolarHBondContact O-N 3.46Å |
| 1822 | A | 36.1 | Very low | 44.3 | Very low | 55 Ų | 55 | 90.9 Ų | 90.9 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -120 | 123.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S1819 D1824 | S1819-A1822 PolarHBondContact O-N 3.35Å; A1822-D1824 PolarHBondContact O-N 2.89Å |
| 1823 | E | 41.4 | Very low | 44.2 | Very low | 182 Ų | 182 | 95.6 Ų | 95.6 | 85% | 0.85 | 50% | 0.504 | S | S | * | . | trans | -64.5 | 16.6 | -173.6 | -66.5 | -175.1 | 144.7 | 0 | 0 | 116 | ||||
| 1824 | D | 38.6 | Very low | 44.1 | Very low | 144 Ų | 144 | 92.7 Ų | 92.7 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | trans | -89.4 | 113.4 | -179.1 | -80.1 | -31.1 | 0 | 0 | 0 | 111.9 | A1822 L1826 | A1822-D1824 PolarHBondContact O-N 2.89Å; D1824-L1826 PolarHBondContact O-N 2.92Å | ||
| 1825 | V | 47.2 | Very low | 44.2 | Very low | 103 Ų | 103 | 91.6 Ų | 91.6 | 62% | 0.624 | 48% | 0.483 | S | S | * | . | trans | -64.9 | 107.4 | -179.2 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | S1827 | V1825-S1827 PolarHBondContact O-N 3.34Š| ||
| 1826 | L | 45.1 | Very low | 44.2 | Very low | 65 Ų | 65 | 90 Ų | 90 | 34% | 0.34 | 48% | 0.476 | S | S | . | . | trans | -48.3 | 133.7 | 164.5 | -80.5 | 153.5 | 0 | 0 | 0 | 110 | D1824 E1830 L1834 | D1824-L1826 PolarHBondContact O-N 2.92Å; L1826-E1830 HydrophobicContact CD2-CB 3.98Å; L1826-L1834 HydrophobicContact CD1-CD1 4.11Å; L1826-L1834 HydrophobicContact CD2-CD1 3.76Å | ||
| 1827 | S | 47.5 | Very low | 44.3 | Very low | 30 Ų | 30 | 91.5 Ų | 91.5 | 21% | 0.21 | 48% | 0.481 | C | S | . | . | trans | -64.4 | 148.7 | 175.6 | 66.1 | 0 | 0 | 0 | 0 | 110.9 | V1825 R1829 E1830 A1831 | V1825-S1827 PolarHBondContact O-N 3.34Å; S1827-R1829 PolarHBondContact O-N 3.2Å; S1827-E1830 WeakPolarHBondContact CB-OE2 3.33Å; S1827-E1830 PolarHBondContact N-OE2 3.36Å; S1827-E1830 WeakPolarHBondContact O-CA 3.3Å; S1827-E1830 WeakPolarHBondContact O-CB 3.31Å; S1827-E1830 PolarHBondContact O-N 2.99Å; S1827-E1830 WeakPolarHBondContact OG-CG 3.45Å; S1827-E1830 PolarHBondContact OG-N 3.46Å; S1827-E1830 PolarHBondContact OG-OE2 2.93Å; S1827-A1831 PolarHBondContact O-N 2.97Å | ||
| 1828 | D | 44.8 | Very low | 44.5 | Very low | 98 Ų | 98 | 82.9 Ų | 82.9 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -49.1 | -35.8 | -178.6 | -72.7 | -21.1 | 0 | 0 | 0 | 113.1 | Q1832 I1885 | D1828-Q1832 VanDerWaalsContact O-CB 3.31Å; D1828-Q1832 WeakPolarHBondContact O-CB 3.32Å; D1828-Q1832 PolarHBondContact O-N 3.23Å; D1828-Q1832 VanDerWaalsContact O-N 3.07Å; D1828-I1885 HydrophobicContact CB-CD1 4.2Å |
| 1829 | R | 44.9 | Very low | 44.5 | Very low | 158 Ų | 158 | 80.8 Ų | 80.8 | 60% | 0.596 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -71.1 | -39 | 176.8 | -87.1 | -179 | 167.2 | 173.6 | -2.5 | 113.2 | S1827 Q1832 L1833 | S1827-R1829 PolarHBondContact O-N 3.2Å; R1829-Q1832 PolarHBondContact O-N 3.01Å; R1829-L1833 WeakPolarHBondContact O-CB 3.34Å; R1829-L1833 PolarHBondContact O-N 2.91Å |
| 1830 | E | 46.2 | Very low | 44.6 | Very low | 100 Ų | 100 | 84.4 Ų | 84.4 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 176.9 | -71.4 | 164 | 153.8 | 0 | 0 | 110.9 | L1826 S1827 L1833 L1834 | L1826-E1830 HydrophobicContact CD2-CB 3.98Å; S1827-E1830 WeakPolarHBondContact CB-OE2 3.33Å; S1827-E1830 PolarHBondContact N-OE2 3.36Å; S1827-E1830 WeakPolarHBondContact O-CA 3.3Å; S1827-E1830 WeakPolarHBondContact O-CB 3.31Å; S1827-E1830 PolarHBondContact O-N 2.99Å; S1827-E1830 WeakPolarHBondContact OG-CG 3.45Å; S1827-E1830 PolarHBondContact OG-N 3.46Å; S1827-E1830 PolarHBondContact OG-OE2 2.93Å; E1830-L1833 PolarHBondContact O-N 3.23Å; E1830-L1834 VanDerWaalsContact O-CB 3.25Å; E1830-L1834 WeakPolarHBondContact O-CB 3.48Å; E1830-L1834 WeakPolarHBondContact O-CD1 3.36Å; E1830-L1834 WeakPolarHBondContact O-CG 3.35Å; E1830-L1834 PolarHBondContact O-N 3.35Å |
| 1831 | A | 47.8 | Very low | 44.6 | Very low | 36 Ų | 36 | 78.2 Ų | 78.2 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1827 W1835 | S1827-A1831 PolarHBondContact O-N 2.97Å; A1831-W1835 WeakPolarHBondContact O-CB 3.41Å; A1831-W1835 PolarHBondContact O-N 3.08Å |
| 1832 | Q | 46.8 | Very low | 44.9 | Very low | 37 Ų | 37 | 76.1 Ų | 76.1 | 17% | 0.173 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71 | -40.6 | 178.4 | -158.1 | 174.2 | 8 | 0 | 0 | 112.4 | D1828 R1829 W1835 N1836 | D1828-Q1832 VanDerWaalsContact O-CB 3.31Å; D1828-Q1832 WeakPolarHBondContact O-CB 3.32Å; D1828-Q1832 PolarHBondContact O-N 3.23Å; D1828-Q1832 VanDerWaalsContact O-N 3.07Å; R1829-Q1832 PolarHBondContact O-N 3.01Å; Q1832-W1835 PolarHBondContact O-N 3.43Å; Q1832-N1836 VanDerWaalsContact O-CG 3.26Å; Q1832-N1836 PolarHBondContact O-N 3.4Å |
| 1833 | L | 47 | Very low | 45.2 | Very low | 114 Ų | 114 | 76.3 Ų | 76.3 | 60% | 0.597 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64 | -43 | 172.6 | -90.5 | 156.5 | 0 | 0 | 0 | 112.1 | R1829 E1830 F1837 | R1829-L1833 WeakPolarHBondContact O-CB 3.34Å; R1829-L1833 PolarHBondContact O-N 2.91Å; E1830-L1833 PolarHBondContact O-N 3.23Å; L1833-F1837 PolarHBondContact O-N 2.87Å; L1833-F1837 VanDerWaalsContact O-N 3.12Å |
| 1834 | L | 46.7 | Very low | 45.2 | Very low | 33 Ų | 33 | 68.4 Ų | 68.4 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.9 | -78.2 | 164.1 | 0 | 0 | 0 | 111.4 | V1812 M1815 I1816 L1826 E1830 F1837 V1838 | V1812-L1834 HydrophobicContact CG1-CD2 3.61Å; M1815-L1834 HydrophobicContact CE-CD2 4.03Å; I1816-L1834 HydrophobicContact CD1-CD2 4.41Å; I1816-L1834 HydrophobicContact CG1-CD2 4.34Å; L1826-L1834 HydrophobicContact CD1-CD1 4.11Å; L1826-L1834 HydrophobicContact CD2-CD1 3.76Å; E1830-L1834 VanDerWaalsContact O-CB 3.25Å; E1830-L1834 WeakPolarHBondContact O-CB 3.48Å; E1830-L1834 WeakPolarHBondContact O-CD1 3.36Å; E1830-L1834 WeakPolarHBondContact O-CG 3.35Å; E1830-L1834 PolarHBondContact O-N 3.35Å; L1834-F1837 WeakPolarHBondContact O-CB 2.87Å; L1834-F1837 PolarHBondContact O-N 3.46Å; L1834-V1838 VanDerWaalsContact O-CG2 3.27Å; L1834-V1838 WeakPolarHBondContact O-CG2 3.14Å; L1834-V1838 PolarHBondContact O-N 2.82Å |
| 1835 | W | 48.3 | Very low | 45.2 | Very low | 82 Ų | 82 | 63.6 Ų | 63.6 | 31% | 0.311 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 178.2 | -106.9 | 116.9 | 0 | 0 | 0 | 113.5 | A1831 Q1832 F1837 V1838 E1839 I1842 I1889 | A1831-W1835 WeakPolarHBondContact O-CB 3.41Å; A1831-W1835 PolarHBondContact O-N 3.08Å; Q1832-W1835 PolarHBondContact O-N 3.43Å; W1835-F1837 PolarHBondContact O-N 3.28Å; W1835-V1838 HydrophobicContact CE3-CB 3.9Å; W1835-V1838 HydrophobicContact CE3-CG1 3.79Å; W1835-V1838 HydrophobicContact CH2-CG1 4.21Å; W1835-V1838 HydrophobicContact CZ3-CB 4.19Å; W1835-V1838 HydrophobicContact CZ3-CG1 3.54Å; W1835-V1838 CarbonylContact O-C 3.53Å; W1835-V1838 PolarHBondContact O-N 3.18Å; W1835-V1838 VanDerWaalsContact O-N 3.12Å; W1835-E1839 WeakPolarHBondContact O-CB 3.35Å; W1835-E1839 PolarHBondContact O-N 3.21Å; W1835-I1842 HydrophobicContact CZ3-CD1 4.46Å; W1835-I1889 HydrophobicContact CZ2-CG2 4.24Å |
| 1836 | N | 46 | Very low | 45 | Very low | 72 Ų | 72 | 59.9 Ų | 59.9 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | 173.1 | -70.5 | -8.9 | 0 | 0 | 0 | 111.2 | Q1832 M1840 | Q1832-N1836 VanDerWaalsContact O-CG 3.26Å; Q1832-N1836 PolarHBondContact O-N 3.4Å; N1836-M1840 WeakPolarHBondContact O-CG 3.36Å; N1836-M1840 PolarHBondContact O-N 3.16Å |
| 1837 | F | 46.1 | Very low | 45 | Very low | 80 Ų | 80 | 63.9 Ų | 63.9 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 173.2 | -133.5 | -82.3 | 0 | 0 | 0 | 112.2 | L1808 L1833 L1834 W1835 S1841 | L1808-F1837 HydrophobicContact CB-CE1 4.42Å; L1808-F1837 HydrophobicContact CD2-CD1 4.43Å; L1808-F1837 HydrophobicContact CD2-CE1 3.38Å; L1808-F1837 HydrophobicContact CD2-CE2 4.36Å; L1808-F1837 HydrophobicContact CD2-CZ 3.34Å; L1808-F1837 HydrophobicContact CG-CE1 4.47Å; L1833-F1837 PolarHBondContact O-N 2.87Å; L1833-F1837 VanDerWaalsContact O-N 3.12Å; L1834-F1837 WeakPolarHBondContact O-CB 2.87Å; L1834-F1837 PolarHBondContact O-N 3.46Å; W1835-F1837 PolarHBondContact O-N 3.28Å; F1837-S1841 WeakPolarHBondContact O-CB 3.25Å; F1837-S1841 PolarHBondContact O-N 3Å; F1837-S1841 PolarHBondContact O-OG 3.14Å; F1837-S1841 VanDerWaalsContact O-OG 3.1Å |
| 1838 | V | 47.2 | Very low | 44.8 | Very low | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | I1816 L1834 W1835 S1841 I1842 | I1816-V1838 HydrophobicContact CD1-CG2 3.76Å; L1834-V1838 VanDerWaalsContact O-CG2 3.27Å; L1834-V1838 WeakPolarHBondContact O-CG2 3.14Å; L1834-V1838 PolarHBondContact O-N 2.82Å; W1835-V1838 HydrophobicContact CE3-CB 3.9Å; W1835-V1838 HydrophobicContact CE3-CG1 3.79Å; W1835-V1838 HydrophobicContact CH2-CG1 4.21Å; W1835-V1838 HydrophobicContact CZ3-CB 4.19Å; W1835-V1838 HydrophobicContact CZ3-CG1 3.54Å; W1835-V1838 CarbonylContact O-C 3.53Å; W1835-V1838 PolarHBondContact O-N 3.18Å; W1835-V1838 VanDerWaalsContact O-N 3.12Å; V1838-S1841 VanDerWaalsContact C-OG 3.29Å; V1838-S1841 WeakPolarHBondContact CA-OG 3.37Å; V1838-S1841 CarbonylContact O-C 3.53Å; V1838-S1841 PolarHBondContact O-N 3.4Å; V1838-S1841 PolarHBondContact O-OG 2.9Å; V1838-I1842 HydrophobicContact CG1-CD1 3.56Å; V1838-I1842 HydrophobicContact CG1-CG1 4.11Å; V1838-I1842 VanDerWaalsContact O-CG1 3.32Å; V1838-I1842 WeakPolarHBondContact O-CG1 3.48Å; V1838-I1842 PolarHBondContact O-N 2.99Å |
| 1839 | E | 43.5 | Very low | 44.7 | Very low | 35 Ų | 35 | 62.5 Ų | 62.5 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -51.9 | 175.5 | 178.8 | 177.2 | -167.2 | 0 | 0 | 112.1 | W1835 S1841 I1842 L1843 I1892 T1896 | W1835-E1839 WeakPolarHBondContact O-CB 3.35Å; W1835-E1839 PolarHBondContact O-N 3.21Å; E1839-S1841 PolarHBondContact O-N 3.4Å; E1839-I1842 PolarHBondContact O-N 2.98Å; E1839-L1843 HydrophobicContact CG-CD1 4.08Å; E1839-L1843 WeakPolarHBondContact O-CB 3.24Å; E1839-L1843 PolarHBondContact O-N 2.9Å; E1839-I1892 HydrophobicContact CB-CG2 4.45Å; E1839-I1892 HydrophobicContact CG-CG2 4.2Å; E1839-I1892 WeakPolarHBondContact OE2-CG2 3.36Å; E1839-T1896 HydrophobicContact CG-CG2 3.95Å |
| 1840 | M | 46.1 | Very low | 44.7 | Very low | 109 Ų | 109 | 59 Ų | 59 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.6 | -33.8 | 176.2 | -72.4 | -66.4 | -72.4 | 0 | 0 | 111.9 | N1836 A1844 | N1836-M1840 WeakPolarHBondContact O-CG 3.36Å; N1836-M1840 PolarHBondContact O-N 3.16Å; M1840-A1844 WeakPolarHBondContact O-CB 3.29Å; M1840-A1844 PolarHBondContact O-N 2.87Å |
| 1841 | S | 41.5 | Very low | 44.6 | Very low | 10 Ų | 10 | 62.6 Ų | 62.6 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -83.2 | -27.7 | -178.6 | 74.2 | 0 | 0 | 0 | 0 | 115.1 | H1809 F1837 V1838 E1839 A1844 N1845 | H1809-S1841 PolarHBondContact CE1-OG 3.44Å; H1809-S1841 WeakPolarHBondContact ND1-CB 3.4Å; H1809-S1841 PolarHBondContact ND1-OG 3.39Å; F1837-S1841 WeakPolarHBondContact O-CB 3.25Å; F1837-S1841 PolarHBondContact O-N 3Å; F1837-S1841 PolarHBondContact O-OG 3.14Å; F1837-S1841 VanDerWaalsContact O-OG 3.1Å; V1838-S1841 VanDerWaalsContact C-OG 3.29Å; V1838-S1841 WeakPolarHBondContact CA-OG 3.37Å; V1838-S1841 CarbonylContact O-C 3.53Å; V1838-S1841 PolarHBondContact O-N 3.4Å; V1838-S1841 PolarHBondContact O-OG 2.9Å; E1839-S1841 PolarHBondContact O-N 3.4Å; S1841-A1844 WeakPolarHBondContact O-CB 3.47Å; S1841-N1845 VanDerWaalsContact O-CB 3.26Å; S1841-N1845 WeakPolarHBondContact O-CB 3.44Å; S1841-N1845 VanDerWaalsContact O-CG 3.29Å; S1841-N1845 PolarHBondContact O-N 3.45Å; S1841-N1845 PolarHBondContact O-ND2 3.27Å |
| 1842 | I | 44.1 | Very low | 44.2 | Very low | 47 Ų | 47 | 65.3 Ų | 65.3 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.2 | -46.8 | 170.6 | -69.2 | 170 | 0 | 0 | 0 | 109.1 | W1835 V1838 E1839 A1844 N1845 L1846 | W1835-I1842 HydrophobicContact CZ3-CD1 4.46Å; V1838-I1842 HydrophobicContact CG1-CD1 3.56Å; V1838-I1842 HydrophobicContact CG1-CG1 4.11Å; V1838-I1842 VanDerWaalsContact O-CG1 3.32Å; V1838-I1842 WeakPolarHBondContact O-CG1 3.48Å; V1838-I1842 PolarHBondContact O-N 2.99Å; E1839-I1842 PolarHBondContact O-N 2.98Å; I1842-A1844 CarbonylContact O-C 3.59Å; I1842-A1844 PolarHBondContact O-N 3.45Å; I1842-N1845 PolarHBondContact O-N 3.36Å; I1842-N1845 VanDerWaalsContact O-N 3.12Å; I1842-L1846 HydrophobicContact CG2-CD1 3.78Å; I1842-L1846 WeakPolarHBondContact O-CD1 3.28Å; I1842-L1846 WeakPolarHBondContact O-CG 3.35Å |
| 1843 | L | 43.3 | Very low | 44.2 | Very low | 60 Ų | 60 | 69.7 Ų | 69.7 | 31% | 0.314 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -33.3 | 175.7 | -76.9 | 168.4 | 0 | 0 | 0 | 112.6 | A1788 E1839 A1899 | A1788-L1843 HydrophobicContact CB-CB 4.45Å; E1839-L1843 HydrophobicContact CG-CD1 4.08Å; E1839-L1843 WeakPolarHBondContact O-CB 3.24Å; E1839-L1843 PolarHBondContact O-N 2.9Å; L1843-A1899 HydrophobicContact CD2-CB 4.11Å |
| 1844 | A | 41 | Very low | 44.2 | Very low | 15 Ų | 15 | 68.2 Ų | 68.2 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.9 | -77 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | F1786 M1840 S1841 I1842 L1846 | F1786-A1844 HydrophobicContact CB-CB 3.27Å; F1786-A1844 WeakPolarHBondContact CD1-O 3.3Å; F1786-A1844 HydrophobicContact CD2-CB 4.02Å; F1786-A1844 WeakPolarHBondContact CD2-O 3.4Å; F1786-A1844 WeakPolarHBondContact CE1-O 3.4Å; F1786-A1844 WeakPolarHBondContact CE2-O 3.45Å; F1786-A1844 VanDerWaalsContact CG-CA 3.42Å; F1786-A1844 HydrophobicContact CG-CB 3.71Å; F1786-A1844 WeakPolarHBondContact CG-O 3.38Å; F1786-A1844 WeakPolarHBondContact CZ-O 3.3Å; M1840-A1844 WeakPolarHBondContact O-CB 3.29Å; M1840-A1844 PolarHBondContact O-N 2.87Å; S1841-A1844 WeakPolarHBondContact O-CB 3.47Å; I1842-A1844 CarbonylContact O-C 3.59Å; I1842-A1844 PolarHBondContact O-N 3.45Å; A1844-L1846 PolarHBondContact O-N 2.84Å |
| 1845 | N | 39.1 | Very low | 44.4 | Very low | 43 Ų | 43 | 69.8 Ų | 69.8 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -44.4 | -3.5 | -163.4 | -80.5 | -29.1 | 0 | 0 | 0 | 121.7 | F1786 H1809 S1841 I1842 | F1786-N1845 HydrophobicContact CD2-CB 4.42Å; F1786-N1845 VanDerWaalsContact CD2-N 3.32Å; F1786-N1845 HydrophobicContact CE2-CB 4.17Å; F1786-N1845 VanDerWaalsContact CE2-O 3.3Å; F1786-N1845 WeakPolarHBondContact CE2-O 3.42Å; F1786-N1845 WeakPolarHBondContact CZ-O 3.4Å; H1809-N1845 PolarHBondContact CD2-ND2 2.95Å; H1809-N1845 PolarHBondContact NE2-ND2 2.96Å; S1841-N1845 VanDerWaalsContact O-CB 3.26Å; S1841-N1845 WeakPolarHBondContact O-CB 3.44Å; S1841-N1845 VanDerWaalsContact O-CG 3.29Å; S1841-N1845 PolarHBondContact O-N 3.45Å; S1841-N1845 PolarHBondContact O-ND2 3.27Å; I1842-N1845 PolarHBondContact O-N 3.36Å; I1842-N1845 VanDerWaalsContact O-N 3.12Å |
| 1846 | L | 42.5 | Very low | 44.5 | Very low | 25 Ų | 25 | 74.3 Ų | 74.3 | 13% | 0.131 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -22.5 | -164.3 | -59.7 | 170.5 | 0 | 0 | 0 | 116.8 | I1842 A1844 H1848 L1849 F1900 L1903 | I1842-L1846 HydrophobicContact CG2-CD1 3.78Å; I1842-L1846 WeakPolarHBondContact O-CD1 3.28Å; I1842-L1846 WeakPolarHBondContact O-CG 3.35Å; A1844-L1846 PolarHBondContact O-N 2.84Å; L1846-H1848 PolarHBondContact O-N 3.07Å; L1846-H1848 VanDerWaalsContact O-N 3.16Å; L1846-L1849 HydrophobicContact CB-CD1 4.49Å; L1846-L1849 HydrophobicContact CD2-CD1 4.13Å; L1846-L1849 WeakPolarHBondContact O-CD1 2.92Å; L1846-F1900 HydrophobicContact CD1-CB 4.41Å; L1846-F1900 HydrophobicContact CD1-CD2 3.1Å; L1846-F1900 HydrophobicContact CD1-CE2 3.44Å; L1846-F1900 VanDerWaalsContact CD1-CE2 3.44Å; L1846-F1900 HydrophobicContact CD1-CG 3.92Å; L1846-F1900 HydrophobicContact CD1-CZ 4.43Å; L1846-F1900 HydrophobicContact CD2-CD2 3.75Å; L1846-F1900 HydrophobicContact CD2-CE2 3.05Å; L1846-F1900 HydrophobicContact CD2-CZ 3.5Å; L1846-F1900 VanDerWaalsContact CD2-CZ 3.5Å; L1846-F1900 HydrophobicContact CG-CD2 4Å; L1846-F1900 HydrophobicContact CG-CE2 3.83Å; L1846-L1903 HydrophobicContact CB-CD1 3.64Å; L1846-L1903 HydrophobicContact CD1-CD1 4.49Å |
| 1847 | R | 43.7 | Very low | 44.7 | Very low | 150 Ų | 150 | 72.8 Ų | 72.8 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -6.6 | 172.3 | -96.5 | 176.8 | 175.2 | 178.9 | -5.7 | 114.9 | F1786 Y1787 | F1786-R1847 HydrophobicContact CD1-CB 3.67Å; F1786-R1847 HydrophobicContact CE1-CB 3.3Å; F1786-R1847 HydrophobicContact CZ-CB 4.48Å; Y1787-R1847 WeakPolarHBondContact O-CD 3.31Å; Y1787-R1847 PolarHBondContact O-NH1 3.44Å |
| 1848 | H | 43.7 | Very low | 45 | Very low | 72 Ų | 72 | 76 Ų | 76 | 33% | 0.333 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 25.5 | -176.4 | -71.4 | -74.6 | 0 | 0 | 0 | 113.1 | V1784 Y1785 F1786 L1846 S1850 K1851 | V1784-H1848 HydrophobicContact CG1-CB 3.81Å; Y1785-H1848 PolarHBondContact O-CD2 3.21Å; F1786-H1848 AromaticContact CD1-CD2 3.62Å; F1786-H1848 HydrophobicContact CE1-CB 3.8Å; F1786-H1848 AromaticContact CE1-CD2 3.26Å; F1786-H1848 WeakPolarHBondContact CE1-CD2 3.27Å; F1786-H1848 AromaticContact CE1-CG 3.84Å; F1786-H1848 HydrophobicContact CE2-CB 4.2Å; F1786-H1848 HydrophobicContact CZ-CB 3.45Å; F1786-H1848 VanDerWaalsContact CZ-CB 3.45Å; F1786-H1848 AromaticContact CZ-CD2 3.68Å; F1786-H1848 AromaticContact CZ-CG 3.95Å; L1846-H1848 PolarHBondContact O-N 3.07Å; L1846-H1848 VanDerWaalsContact O-N 3.16Å; H1848-S1850 PolarHBondContact O-N 3.3Å; H1848-K1851 PolarHBondContact O-N 3.45Å |
| 1849 | L | 44.3 | Very low | 45.2 | Very low | 27 Ų | 27 | 79.4 Ų | 79.4 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -51.6 | -15.7 | 175.8 | -99.6 | 155.8 | 0 | 0 | 0 | 115.1 | L1846 K1851 I1857 V1906 | L1846-L1849 HydrophobicContact CB-CD1 4.49Å; L1846-L1849 HydrophobicContact CD2-CD1 4.13Å; L1846-L1849 WeakPolarHBondContact O-CD1 2.92Å; L1849-K1851 PolarHBondContact O-N 3.01Å; L1849-I1857 HydrophobicContact CD2-CD1 4.33Å; L1849-I1857 HydrophobicContact CD2-CG1 4.12Å; L1849-V1906 HydrophobicContact CD1-CG2 4.43Å |
| 1850 | S | 44.4 | Very low | 45.6 | Very low | 84 Ų | 84 | 80.4 Ų | 80.4 | 59% | 0.587 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -70.2 | -5.9 | 178.3 | 59.6 | 0 | 0 | 0 | 0 | 115.6 | H1848 | H1848-S1850 PolarHBondContact O-N 3.3Š|
| 1851 | K | 42.8 | Very low | 45.9 | Very low | 176 Ų | 176 | 76 Ų | 76 | 77% | 0.765 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -112.4 | 2.1 | -176.4 | -70.9 | -174.7 | 177.8 | 178.5 | 0 | 115.9 | H1848 L1849 | H1848-K1851 PolarHBondContact O-N 3.45Å; L1849-K1851 PolarHBondContact O-N 3.01Å |
| 1852 | L | 40.8 | Very low | 46.7 | Very low | 92 Ų | 92 | 79.4 Ų | 79.4 | 48% | 0.482 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -98 | 150.4 | -177.2 | -77.5 | 158.3 | 0 | 0 | 0 | 112.6 | I1857 | L1852-I1857 HydrophobicContact CB-CD1 4.06Å; L1852-I1857 HydrophobicContact CB-CG1 4.11Å; L1852-I1857 WeakPolarHBondContact O-CD1 3.36Å |
| 1853 | N | 46.3 | Very low | 47.2 | Very low | 130 Ų | 130 | 80.4 Ų | 80.4 | 70% | 0.695 | 42% | 0.418 | S | S | * | . | trans | -59.4 | 134 | 179.1 | -91.7 | -22.9 | 0 | 0 | 0 | 112.1 | S1855 Y1856 I1857 | N1853-S1855 VanDerWaalsContact C-N 3.26Å; N1853-S1855 PolarHBondContact O-N 3.31Å; N1853-S1855 VanDerWaalsContact O-N 3.1Å; N1853-Y1856 PolarHBondContact O-N 3.04Å; N1853-Y1856 VanDerWaalsContact O-N 3.12Å; N1853-I1857 PolarHBondContact O-N 3.15Å | ||
| 1854 | A | 47.9 | Very low | 47.7 | Very low | 83 Ų | 83 | 79.2 Ų | 79.2 | 69% | 0.686 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.8 | -27.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1858 | A1854-R1858 PolarHBondContact O-N 3.35Å |
| 1855 | S | 50.3 | Low | 48.3 | Very low | 66 Ų | 66 | 79 Ų | 79 | 46% | 0.462 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.4 | -40.9 | 177.5 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | N1853 R1858 D1859 | N1853-S1855 VanDerWaalsContact C-N 3.26Å; N1853-S1855 PolarHBondContact O-N 3.31Å; N1853-S1855 VanDerWaalsContact O-N 3.1Å; S1855-R1858 PolarHBondContact O-N 3.28Å; S1855-D1859 PolarHBondContact O-N 3.45Å; S1855-D1859 VanDerWaalsContact O-N 3.15Å |
| 1856 | Y | 49.6 | Very low | 49.1 | Very low | 177 Ų | 177 | 80.8 Ų | 80.8 | 69% | 0.694 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -70 | -35.2 | 178.9 | -115.2 | -86.2 | 0 | 0 | 0 | 111.7 | N1853 S1860 | N1853-Y1856 PolarHBondContact O-N 3.04Å; N1853-Y1856 VanDerWaalsContact O-N 3.12Å; Y1856-S1860 WeakPolarHBondContact O-CB 3.33Å; Y1856-S1860 PolarHBondContact O-N 2.98Å; Y1856-S1860 VanDerWaalsContact O-N 3.11Å; Y1856-S1860 PolarHBondContact O-OG 2.98Å |
| 1857 | I | 51.2 | Low | 49.6 | Very low | 40 Ų | 40 | 82.7 Ų | 82.7 | 21% | 0.205 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.5 | -48 | 174.5 | -65.9 | 175.2 | 0 | 0 | 0 | 110 | L1849 L1852 N1853 L1861 | L1849-I1857 HydrophobicContact CD2-CD1 4.33Å; L1849-I1857 HydrophobicContact CD2-CG1 4.12Å; L1852-I1857 HydrophobicContact CB-CD1 4.06Å; L1852-I1857 HydrophobicContact CB-CG1 4.11Å; L1852-I1857 WeakPolarHBondContact O-CD1 3.36Å; N1853-I1857 PolarHBondContact O-N 3.15Å; I1857-L1861 HydrophobicContact CG2-CD1 3.5Å; I1857-L1861 HydrophobicContact CG2-CG 4.26Å; I1857-L1861 WeakPolarHBondContact O-CB 3.42Å; I1857-L1861 WeakPolarHBondContact O-CG 3.3Å; I1857-L1861 PolarHBondContact O-N 3.04Å |
| 1858 | R | 52.6 | Low | 49.9 | Very low | 146 Ų | 146 | 76.5 Ų | 76.5 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.3 | -48 | -179.1 | -172.2 | -166.5 | 65.1 | -164.9 | -4.5 | 112.5 | A1854 S1855 L1861 I1862 | A1854-R1858 PolarHBondContact O-N 3.35Å; S1855-R1858 PolarHBondContact O-N 3.28Å; R1858-L1861 PolarHBondContact O-N 2.68Å; R1858-I1862 HydrophobicContact CG-CD1 3.89Å; R1858-I1862 VanDerWaalsContact O-CG1 3.26Å; R1858-I1862 WeakPolarHBondContact O-CG1 3.24Å; R1858-I1862 PolarHBondContact O-N 3.35Å |
| 1859 | D | 50.3 | Low | 50.4 | Low | 80 Ų | 80 | 77.5 Ų | 77.5 | 43% | 0.428 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -75.2 | -33.4 | -174 | -62.1 | -9.4 | 0 | 0 | 0 | 111.7 | S1855 S1863 | S1855-D1859 PolarHBondContact O-N 3.45Å; S1855-D1859 VanDerWaalsContact O-N 3.15Å; D1859-S1863 WeakPolarHBondContact O-CB 3.42Å; D1859-S1863 PolarHBondContact O-N 3.32Å; D1859-S1863 VanDerWaalsContact O-N 3.17Å; D1859-S1863 PolarHBondContact O-OG 3.27Å |
| 1860 | S | 51.8 | Low | 50.8 | Low | 57 Ų | 57 | 82.2 Ų | 82.2 | 40% | 0.399 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 172.4 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | Y1856 L1864 | Y1856-S1860 WeakPolarHBondContact O-CB 3.33Å; Y1856-S1860 PolarHBondContact O-N 2.98Å; Y1856-S1860 VanDerWaalsContact O-N 3.11Å; Y1856-S1860 PolarHBondContact O-OG 2.98Å; S1860-L1864 WeakPolarHBondContact O-CB 3.27Å; S1860-L1864 PolarHBondContact O-N 3.16Å |
| 1861 | L | 53.1 | Low | 50.8 | Low | 15 Ų | 15 | 81.3 Ų | 81.3 | 8% | 0.079 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 177.1 | -78.6 | 173.8 | 0 | 0 | 0 | 112.9 | I1857 R1858 S1863 L1864 L1865 F1900 V1906 | I1857-L1861 HydrophobicContact CG2-CD1 3.5Å; I1857-L1861 HydrophobicContact CG2-CG 4.26Å; I1857-L1861 WeakPolarHBondContact O-CB 3.42Å; I1857-L1861 WeakPolarHBondContact O-CG 3.3Å; I1857-L1861 PolarHBondContact O-N 3.04Å; R1858-L1861 PolarHBondContact O-N 2.68Å; L1861-S1863 VanDerWaalsContact C-N 3.33Å; L1861-S1863 PolarHBondContact O-N 3.23Å; L1861-L1864 PolarHBondContact O-N 3.4Å; L1861-L1865 WeakPolarHBondContact O-CB 3.27Å; L1861-L1865 VanDerWaalsContact O-CG 3.3Å; L1861-L1865 WeakPolarHBondContact O-CG 3.43Å; L1861-L1865 PolarHBondContact O-N 3.35Å; L1861-F1900 HydrophobicContact CD2-CE1 3.88Å; L1861-V1906 HydrophobicContact CD2-CB 4.32Å; L1861-V1906 HydrophobicContact CD2-CG1 3.31Å; L1861-V1906 HydrophobicContact CD2-CG2 3.96Å |
| 1862 | I | 57.5 | Low | 50.9 | Low | 82 Ų | 82 | 79.9 Ų | 79.9 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.7 | -70 | 167.3 | 0 | 0 | 0 | 110.2 | R1858 L1864 L1865 V1866 | R1858-I1862 HydrophobicContact CG-CD1 3.89Å; R1858-I1862 VanDerWaalsContact O-CG1 3.26Å; R1858-I1862 WeakPolarHBondContact O-CG1 3.24Å; R1858-I1862 PolarHBondContact O-N 3.35Å; I1862-L1864 PolarHBondContact O-N 3.48Å; I1862-L1865 PolarHBondContact O-N 2.85Å; I1862-V1866 HydrophobicContact CG2-CG2 4.34Å; I1862-V1866 WeakPolarHBondContact O-CB 3.22Å; I1862-V1866 VanDerWaalsContact O-CG2 3.26Å; I1862-V1866 WeakPolarHBondContact O-CG2 3.19Å; I1862-V1866 PolarHBondContact O-N 2.92Å |
| 1863 | S | 55.4 | Low | 50.9 | Low | 68 Ų | 68 | 77.4 Ų | 77.4 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 178.1 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | D1859 L1861 I1867 | D1859-S1863 WeakPolarHBondContact O-CB 3.42Å; D1859-S1863 PolarHBondContact O-N 3.32Å; D1859-S1863 VanDerWaalsContact O-N 3.17Å; D1859-S1863 PolarHBondContact O-OG 3.27Å; L1861-S1863 VanDerWaalsContact C-N 3.33Å; L1861-S1863 PolarHBondContact O-N 3.23Å; S1863-I1867 WeakPolarHBondContact O-CD1 3.22Å; S1863-I1867 VanDerWaalsContact O-CG1 3.23Å; S1863-I1867 WeakPolarHBondContact O-CG1 3.48Å; S1863-I1867 PolarHBondContact O-N 2.9Å; S1863-I1867 VanDerWaalsContact O-N 3.17Å |
| 1864 | L | 53.3 | Low | 50.8 | Low | 35 Ų | 35 | 72.8 Ų | 72.8 | 18% | 0.183 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 174.9 | -87.8 | 158.6 | 0 | 0 | 0 | 112.9 | S1860 L1861 I1862 I1867 A1868 V1897 F1900 | S1860-L1864 WeakPolarHBondContact O-CB 3.27Å; S1860-L1864 PolarHBondContact O-N 3.16Å; L1861-L1864 PolarHBondContact O-N 3.4Å; I1862-L1864 PolarHBondContact O-N 3.48Å; L1864-I1867 PolarHBondContact O-N 3.14Å; L1864-A1868 PolarHBondContact O-N 3.18Å; L1864-V1897 HydrophobicContact CD2-CG2 3.96Å; L1864-F1900 HydrophobicContact CD1-CD1 4.26Å; L1864-F1900 HydrophobicContact CD1-CD2 4.03Å; L1864-F1900 HydrophobicContact CD1-CE1 3.87Å; L1864-F1900 HydrophobicContact CD1-CE2 3.57Å; L1864-F1900 HydrophobicContact CD1-CG 4.39Å; L1864-F1900 HydrophobicContact CD1-CZ 3.53Å |
| 1865 | L | 54.7 | Low | 50.5 | Low | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.5 | -34.7 | 178.1 | -77.9 | 165.4 | 0 | 0 | 0 | 112.7 | L1861 I1862 A1868 H1869 M1909 C1910 F1914 | L1861-L1865 WeakPolarHBondContact O-CB 3.27Å; L1861-L1865 VanDerWaalsContact O-CG 3.3Å; L1861-L1865 WeakPolarHBondContact O-CG 3.43Å; L1861-L1865 PolarHBondContact O-N 3.35Å; I1862-L1865 PolarHBondContact O-N 2.85Å; L1865-A1868 PolarHBondContact O-N 3.16Å; L1865-H1869 WeakPolarHBondContact O-CB 3.27Å; L1865-H1869 PolarHBondContact O-N 2.73Å; L1865-M1909 HydrophobicContact CD1-CE 3.81Å; L1865-M1909 HydrophobicContact CD1-CG 4.13Å; L1865-M1909 HydrophobicContact CD1-SD 4.13Å; L1865-C1910 HydrophobicContact CD2-CB 4.31Å; L1865-C1910 VanDerWaalsContact CD2-SG 3.55Å; L1865-F1914 HydrophobicContact CB-CE2 4.32Å; L1865-F1914 HydrophobicContact CB-CZ 4.1Å; L1865-F1914 HydrophobicContact CD1-CZ 4.2Å; L1865-F1914 HydrophobicContact CD2-CE2 4.28Å; L1865-F1914 HydrophobicContact CD2-CZ 3.84Å; L1865-F1914 HydrophobicContact CG-CZ 4.26Å |
| 1866 | V | 55.7 | Low | 50.1 | Low | 79 Ų | 79 | 76 Ų | 76 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 174 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | I1862 A1868 H1869 K1870 | I1862-V1866 HydrophobicContact CG2-CG2 4.34Å; I1862-V1866 WeakPolarHBondContact O-CB 3.22Å; I1862-V1866 VanDerWaalsContact O-CG2 3.26Å; I1862-V1866 WeakPolarHBondContact O-CG2 3.19Å; I1862-V1866 PolarHBondContact O-N 2.92Å; V1866-A1868 VanDerWaalsContact C-N 3.35Å; V1866-H1869 PolarHBondContact O-N 3.24Å; V1866-K1870 PolarHBondContact O-N 3.07Å |
| 1867 | I | 52.8 | Low | 49.6 | Very low | 65 Ų | 65 | 71 Ų | 71 | 33% | 0.333 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 174.2 | -67.5 | 164.9 | 0 | 0 | 0 | 110.8 | S1863 L1864 F1893 | S1863-I1867 WeakPolarHBondContact O-CD1 3.22Å; S1863-I1867 VanDerWaalsContact O-CG1 3.23Å; S1863-I1867 WeakPolarHBondContact O-CG1 3.48Å; S1863-I1867 PolarHBondContact O-N 2.9Å; S1863-I1867 VanDerWaalsContact O-N 3.17Å; L1864-I1867 PolarHBondContact O-N 3.14Å; I1867-F1893 HydrophobicContact CG2-CE1 3.82Å; I1867-F1893 HydrophobicContact CG2-CZ 4.18Å |
| 1868 | A | 50.8 | Low | 49.1 | Very low | 20 Ų | 20 | 71 Ų | 71 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70 | -31.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1864 L1865 V1866 | L1864-A1868 PolarHBondContact O-N 3.18Å; L1865-A1868 PolarHBondContact O-N 3.16Å; V1866-A1868 VanDerWaalsContact C-N 3.35Å |
| 1869 | H | 53 | Low | 48.5 | Very low | 93 Ų | 93 | 66 Ų | 66 | 43% | 0.431 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -81.7 | -30.1 | -176.3 | -165 | 48.7 | 0 | 0 | 0 | 114.1 | L1865 V1866 A1871 F1914 R1954 | L1865-H1869 WeakPolarHBondContact O-CB 3.27Å; L1865-H1869 PolarHBondContact O-N 2.73Å; V1866-H1869 PolarHBondContact O-N 3.24Å; H1869-A1871 PolarHBondContact O-N 3.06Å; H1869-F1914 HydrophobicContact CB-CD2 4.2Å; H1869-F1914 HydrophobicContact CB-CE2 4.36Å; H1869-F1914 AromaticContact CD2-CD2 3.99Å; H1869-F1914 AromaticContact CE1-CD2 3.97Å; H1869-F1914 AromaticContact CG-CD2 3.76Å; H1869-F1914 AromaticContact ND1-CD2 3.76Å; H1869-R1954 PolarHBondContact CE1-NH2 3.39Å; H1869-R1954 PolarHBondContact ND1-NH2 2.83Å |
| 1870 | K | 51.8 | Low | 47.9 | Very low | 127 Ų | 127 | 67.6 Ų | 67.6 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | trans | -81.7 | 80.5 | 176.3 | -77.9 | -171.9 | 174.2 | -176.9 | 0 | 111.3 | V1866 E1872 T1873 | V1866-K1870 PolarHBondContact O-N 3.07Å; K1870-E1872 PolarHBondContact O-N 3.07Å; K1870-T1873 HydrophobicContact CB-CG2 3.91Å; K1870-T1873 HydrophobicContact CD-CG2 4.38Å; K1870-T1873 PolarHBondContact O-N 3.43Å; K1870-T1873 PolarHBondContact O-OG1 2.81Å | ||
| 1871 | A | 44.9 | Very low | 47.3 | Very low | 64 Ų | 64 | 67.6 Ų | 67.6 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53.6 | -22.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H1869 T1873 R1874 K1875 | H1869-A1871 PolarHBondContact O-N 3.06Å; A1871-T1873 VanDerWaalsContact C-N 3.33Å; A1871-T1873 PolarHBondContact O-N 2.65Å; A1871-R1874 WeakPolarHBondContact O-CB 3.14Å; A1871-R1874 PolarHBondContact O-N 3.08Å; A1871-K1875 PolarHBondContact O-N 3.38Å |
| 1872 | E | 44.5 | Very low | 46.5 | Very low | 146 Ų | 146 | 69.5 Ų | 69.5 | 68% | 0.682 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.6 | -31.6 | 170.8 | -79.2 | -176.3 | 147 | 0 | 0 | 113.8 | K1870 R1874 K1875 I1876 | K1870-E1872 PolarHBondContact O-N 3.07Å; E1872-R1874 VanDerWaalsContact C-N 3.26Å; E1872-R1874 PolarHBondContact O-N 3.41Å; E1872-K1875 CarbonylContact O-C 3.59Å; E1872-K1875 WeakPolarHBondContact O-CA 3.44Å; E1872-K1875 VanDerWaalsContact O-CB 3.31Å; E1872-K1875 WeakPolarHBondContact O-CB 3.1Å; E1872-K1875 PolarHBondContact O-N 3.31Å; E1872-K1875 VanDerWaalsContact O-N 3.1Å; E1872-I1876 VanDerWaalsContact O-CG1 3.25Å; E1872-I1876 WeakPolarHBondContact O-CG1 3.31Å; E1872-I1876 PolarHBondContact O-N 2.71Å |
| 1873 | T | 42.4 | Very low | 45.8 | Very low | 41 Ų | 41 | 66.4 Ų | 66.4 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.7 | -30.1 | 175.9 | 59.5 | 0 | 0 | 0 | 0 | 112 | K1870 A1871 I1876 L1877 | K1870-T1873 HydrophobicContact CB-CG2 3.91Å; K1870-T1873 HydrophobicContact CD-CG2 4.38Å; K1870-T1873 PolarHBondContact O-N 3.43Å; K1870-T1873 PolarHBondContact O-OG1 2.81Å; A1871-T1873 VanDerWaalsContact C-N 3.33Å; A1871-T1873 PolarHBondContact O-N 2.65Å; T1873-I1876 PolarHBondContact O-N 2.71Å; T1873-L1877 WeakPolarHBondContact O-CB 3.2Å; T1873-L1877 PolarHBondContact O-N 3.3Å |
| 1874 | R | 43.4 | Very low | 45.3 | Very low | 33 Ų | 33 | 65.8 Ų | 65.8 | 13% | 0.125 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 171.2 | -164.1 | -173.5 | -152.8 | 164.8 | 13.7 | 111.7 | F636 A1871 E1872 L1878 W1894 | F636-R1874 VanDerWaalsContact CZ-NE 3.31Å; A1871-R1874 WeakPolarHBondContact O-CB 3.14Å; A1871-R1874 PolarHBondContact O-N 3.08Å; E1872-R1874 VanDerWaalsContact C-N 3.26Å; E1872-R1874 PolarHBondContact O-N 3.41Å; R1874-L1878 HydrophobicContact CG-CD1 4.05Å; R1874-L1878 WeakPolarHBondContact O-CB 3.43Å; R1874-L1878 WeakPolarHBondContact O-CD1 3.45Å; R1874-L1878 WeakPolarHBondContact O-CG 3.47Å; R1874-L1878 PolarHBondContact O-N 2.98Å; R1874-W1894 HydrophobicContact CB-CZ2 4.4Å |
| 1875 | K | 42.7 | Very low | 44.7 | Very low | 126 Ų | 126 | 66 Ų | 66 | 55% | 0.548 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.1 | -51.1 | 170.4 | -123.1 | 178 | -178.4 | -178.7 | 0 | 109.1 | A1871 E1872 L1877 L1878 S1879 | A1871-K1875 PolarHBondContact O-N 3.38Å; E1872-K1875 CarbonylContact O-C 3.59Å; E1872-K1875 WeakPolarHBondContact O-CA 3.44Å; E1872-K1875 VanDerWaalsContact O-CB 3.31Å; E1872-K1875 WeakPolarHBondContact O-CB 3.1Å; E1872-K1875 PolarHBondContact O-N 3.31Å; E1872-K1875 VanDerWaalsContact O-N 3.1Å; K1875-L1877 PolarHBondContact O-N 3.5Å; K1875-L1878 CarbonylContact O-C 3.56Å; K1875-L1878 PolarHBondContact O-N 3.22Å; K1875-S1879 VanDerWaalsContact O-CA 3.3Å; K1875-S1879 WeakPolarHBondContact O-CA 3.4Å; K1875-S1879 WeakPolarHBondContact O-CB 3.2Å; K1875-S1879 PolarHBondContact O-N 2.88Å; K1875-S1879 PolarHBondContact O-OG 2.7Å |
| 1876 | I | 41.3 | Very low | 44.3 | Very low | 91 Ų | 91 | 72.1 Ų | 72.1 | 47% | 0.467 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | -178.4 | -64.3 | 161 | 0 | 0 | 0 | 112.8 | E1872 T1873 L1878 S1879 Q1880 | E1872-I1876 VanDerWaalsContact O-CG1 3.25Å; E1872-I1876 WeakPolarHBondContact O-CG1 3.31Å; E1872-I1876 PolarHBondContact O-N 2.71Å; T1873-I1876 PolarHBondContact O-N 2.71Å; I1876-L1878 VanDerWaalsContact C-N 3.33Å; I1876-L1878 PolarHBondContact O-N 3.16Å; I1876-S1879 WeakPolarHBondContact CA-OG 3.44Å; I1876-S1879 PolarHBondContact O-N 2.73Å; I1876-Q1880 HydrophobicContact CG2-CG 4.32Å; I1876-Q1880 WeakPolarHBondContact O-CG 3.44Å; I1876-Q1880 PolarHBondContact O-N 3.25Å |
| 1877 | L | 38.5 | Very low | 43.9 | Very low | 72 Ų | 72 | 73.1 Ų | 73.1 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.7 | -27.2 | 177.6 | -97.8 | 135 | 0 | 0 | 0 | 113.4 | T1873 K1875 | T1873-L1877 WeakPolarHBondContact O-CB 3.2Å; T1873-L1877 PolarHBondContact O-N 3.3Å; K1875-L1877 PolarHBondContact O-N 3.5Å |
| 1878 | L | 41.3 | Very low | 43.5 | Very low | 40 Ų | 40 | 71 Ų | 71 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -94.7 | -19.6 | 175.7 | -68.2 | 169.1 | 0 | 0 | 0 | 113.1 | F636 R1874 K1875 I1876 R1887 | F636-L1878 HydrophobicContact CD2-CD1 3.91Å; F636-L1878 HydrophobicContact CE2-CD1 4.21Å; R1874-L1878 HydrophobicContact CG-CD1 4.05Å; R1874-L1878 WeakPolarHBondContact O-CB 3.43Å; R1874-L1878 WeakPolarHBondContact O-CD1 3.45Å; R1874-L1878 WeakPolarHBondContact O-CG 3.47Å; R1874-L1878 PolarHBondContact O-N 2.98Å; K1875-L1878 CarbonylContact O-C 3.56Å; K1875-L1878 PolarHBondContact O-N 3.22Å; I1876-L1878 VanDerWaalsContact C-N 3.33Å; I1876-L1878 PolarHBondContact O-N 3.16Å; L1878-R1887 HydrophobicContact CD2-CG 4.1Å; L1878-R1887 PolarHBondContact O-NH2 3.38Å |
| 1879 | S | 39.8 | Very low | 43.4 | Very low | 41 Ų | 41 | 71.8 Ų | 71.8 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -100.2 | 1.5 | -174.2 | 81 | 0 | 0 | 0 | 0 | 114.7 | F631 K1875 I1876 | F631-S1879 VanDerWaalsContact CD1-C 3.45Å; F631-S1879 WeakPolarHBondContact CD1-O 3.49Å; F631-S1879 WeakPolarHBondContact CE1-O 3.27Å; F631-S1879 WeakPolarHBondContact CE2-O 3.41Å; F631-S1879 WeakPolarHBondContact CZ-O 3.41Å; K1875-S1879 VanDerWaalsContact O-CA 3.3Å; K1875-S1879 WeakPolarHBondContact O-CA 3.4Å; K1875-S1879 WeakPolarHBondContact O-CB 3.2Å; K1875-S1879 PolarHBondContact O-N 2.88Å; K1875-S1879 PolarHBondContact O-OG 2.7Å; I1876-S1879 WeakPolarHBondContact CA-OG 3.44Å; I1876-S1879 PolarHBondContact O-N 2.73Å |
| 1880 | Q | 37.5 | Very low | 43.3 | Very low | 113 Ų | 113 | 67.7 Ų | 67.7 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | trans | -87.8 | 134.1 | 173.2 | -75.8 | -83.7 | -19.5 | 0 | 0 | 109.4 | I1876 Q1882 | I1876-Q1880 HydrophobicContact CG2-CG 4.32Å; I1876-Q1880 WeakPolarHBondContact O-CG 3.44Å; I1876-Q1880 PolarHBondContact O-N 3.25Å; Q1880-Q1882 PolarHBondContact O-N 2.91Å | ||
| 1881 | P | 38.6 | Very low | 43.2 | Very low | 57 Ų | 57 | 63.4 Ų | 63.4 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | trans | -71.6 | -11.7 | -172.9 | 22.4 | -27.8 | 0 | 0 | 0 | 114.2 | F631 A1561 A1883 | F631-P1881 HydrophobicContact CZ-CB 3.83Å; F631-P1881 HydrophobicContact CZ-CG 4.26Å; A1561-P1881 WeakPolarHBondContact CB-O 3.44Å; P1881-A1883 PolarHBondContact O-N 3Å | ||
| 1882 | Q | 36.1 | Very low | 43.4 | Very low | 55 Ų | 55 | 61.4 Ų | 61.4 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -92.1 | 112.3 | -166.4 | -57 | -177.4 | -9.3 | 0 | 0 | 110.8 | K1557 Q1880 Y1886 | K1557-Q1882 WeakPolarHBondContact O-CG 2.97Å; K1557-Q1882 PolarHBondContact O-NE2 2.76Å; K1557-Q1882 VanDerWaalsContact O-NE2 3.17Å; K1557-Q1882 PolarHBondContact O-OE1 2.76Å; Q1880-Q1882 PolarHBondContact O-N 2.91Å; Q1882-Y1886 WeakPolarHBondContact O-CD2 2.75Å |
| 1883 | A | 42.7 | Very low | 43.9 | Very low | 17 Ų | 17 | 57.4 Ų | 57.4 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | trans | 60.6 | 121.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | D1560 P1881 I1885 Y1886 | D1560-A1883 HydrophobicContact CB-CB 4Å; P1881-A1883 PolarHBondContact O-N 3Å; A1883-I1885 HydrophobicContact CB-CB 4.42Å; A1883-I1885 PolarHBondContact O-N 3.32Å; A1883-Y1886 HydrophobicContact CB-CD2 4.04Å; A1883-Y1886 HydrophobicContact CB-CE2 4.45Å; A1883-Y1886 PolarHBondContact O-N 2.8Å | ||
| 1884 | S | 45.8 | Very low | 44.5 | Very low | 54 Ų | 54 | 56.4 Ų | 56.4 | 38% | 0.378 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -51.1 | -22.5 | 167.6 | 46.8 | 0 | 0 | 0 | 0 | 114 | R1887 L1888 F2058 | S1884-R1887 WeakPolarHBondContact O-CB 3.37Å; S1884-R1887 PolarHBondContact O-N 2.84Å; S1884-L1888 PolarHBondContact O-N 3.42Å; S1884-L1888 VanDerWaalsContact O-N 3.15Å; S1884-F2058 WeakPolarHBondContact O-CE1 3.3Å; S1884-F2058 WeakPolarHBondContact O-CZ 3.33Å |
| 1885 | I | 41.1 | Very low | 45 | Very low | 39 Ų | 39 | 56.7 Ų | 56.7 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 174.9 | -60.5 | 172 | 0 | 0 | 0 | 111.6 | D1828 A1883 R1887 L1888 I1889 F2058 | D1828-I1885 HydrophobicContact CB-CD1 4.2Å; A1883-I1885 HydrophobicContact CB-CB 4.42Å; A1883-I1885 PolarHBondContact O-N 3.32Å; I1885-R1887 VanDerWaalsContact C-N 3.3Å; I1885-R1887 PolarHBondContact O-N 3.49Å; I1885-L1888 PolarHBondContact O-N 3.17Å; I1885-L1888 VanDerWaalsContact O-N 3.16Å; I1885-I1889 HydrophobicContact CG2-CD1 3.83Å; I1885-I1889 HydrophobicContact CG2-CG1 4.36Å; I1885-I1889 VanDerWaalsContact O-CG1 3.31Å; I1885-I1889 WeakPolarHBondContact O-CG1 3.03Å; I1885-I1889 PolarHBondContact O-N 3.3Å; I1885-F2058 HydrophobicContact CB-CE2 4.45Å; I1885-F2058 HydrophobicContact CB-CZ 4.44Å; I1885-F2058 HydrophobicContact CG1-CE2 3.73Å; I1885-F2058 HydrophobicContact CG1-CZ 4.09Å |
| 1886 | Y | 46.7 | Very low | 45.6 | Very low | 142 Ų | 142 | 51.2 Ų | 51.2 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -70.4 | -23.9 | 174.9 | -70.9 | -74.1 | 0 | 0 | 0 | 113.2 | Q1882 A1883 I1889 G1890 | Q1882-Y1886 WeakPolarHBondContact O-CD2 2.75Å; A1883-Y1886 HydrophobicContact CB-CD2 4.04Å; A1883-Y1886 HydrophobicContact CB-CE2 4.45Å; A1883-Y1886 PolarHBondContact O-N 2.8Å; Y1886-I1889 HydrophobicContact CD1-CD1 4.33Å; Y1886-G1890 WeakPolarHBondContact O-CA 3.29Å; Y1886-G1890 PolarHBondContact O-N 3.27Å |
| 1887 | R | 45.4 | Very low | 46.4 | Very low | 99 Ų | 99 | 47.1 Ų | 47.1 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.4 | -40.5 | 168.2 | -79.7 | -167.3 | -178.2 | 157.5 | 7 | 112.1 | P632 L1878 S1884 I1885 G1890 C1891 | P632-R1887 VanDerWaalsContact CD-NH2 3.3Å; L1878-R1887 HydrophobicContact CD2-CG 4.1Å; L1878-R1887 PolarHBondContact O-NH2 3.38Å; S1884-R1887 WeakPolarHBondContact O-CB 3.37Å; S1884-R1887 PolarHBondContact O-N 2.84Å; I1885-R1887 VanDerWaalsContact C-N 3.3Å; I1885-R1887 PolarHBondContact O-N 3.49Å; R1887-G1890 PolarHBondContact O-N 3.24Å; R1887-C1891 VanDerWaalsContact O-CB 3.32Å; R1887-C1891 WeakPolarHBondContact O-CB 3.41Å; R1887-C1891 PolarHBondContact O-N 3.42Å; R1887-C1891 PolarHBondContact O-SG 2.99Å |
| 1888 | L | 45.8 | Very low | 47.3 | Very low | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.2 | -46.7 | 176 | -173.7 | 110.1 | 0 | 0 | 0 | 110.2 | S1884 I1885 G1890 C1891 I1892 F2058 L2062 | S1884-L1888 PolarHBondContact O-N 3.42Å; S1884-L1888 VanDerWaalsContact O-N 3.15Å; I1885-L1888 PolarHBondContact O-N 3.17Å; I1885-L1888 VanDerWaalsContact O-N 3.16Å; L1888-G1890 VanDerWaalsContact C-N 3.31Å; L1888-G1890 PolarHBondContact O-N 2.71Å; L1888-C1891 PolarHBondContact O-N 3.06Å; L1888-I1892 HydrophobicContact CD2-CD1 3.67Å; L1888-I1892 HydrophobicContact CG-CD1 3.68Å; L1888-I1892 HydrophobicContact CG-CG1 4.44Å; L1888-I1892 WeakPolarHBondContact O-CB 3.24Å; L1888-I1892 WeakPolarHBondContact O-CG1 3.37Å; L1888-I1892 PolarHBondContact O-N 2.94Å; L1888-F2058 HydrophobicContact CB-CE1 4.06Å; L1888-F2058 HydrophobicContact CB-CE2 4.25Å; L1888-F2058 HydrophobicContact CB-CZ 3.45Å; L1888-F2058 VanDerWaalsContact CB-CZ 3.45Å; L1888-F2058 HydrophobicContact CD1-CE1 4.37Å; L1888-F2058 HydrophobicContact CD1-CE2 4.48Å; L1888-F2058 HydrophobicContact CD1-CZ 4.1Å; L1888-F2058 HydrophobicContact CD2-CE2 4.25Å; L1888-F2058 HydrophobicContact CD2-CZ 4.26Å; L1888-F2058 HydrophobicContact CG-CZ 4.14Å; L1888-L2062 HydrophobicContact CB-CD1 4.43Å; L1888-L2062 HydrophobicContact CD1-CB 4.28Å; L1888-L2062 HydrophobicContact CD1-CD1 3.56Å; L1888-L2062 HydrophobicContact CG-CD1 4.43Å |
| 1889 | I | 48.3 | Very low | 48 | Very low | 37 Ų | 37 | 44 Ų | 44 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 172 | -64.7 | 167.1 | 0 | 0 | 0 | 110.1 | W1835 I1885 Y1886 I1892 F1893 | W1835-I1889 HydrophobicContact CZ2-CG2 4.24Å; I1885-I1889 HydrophobicContact CG2-CD1 3.83Å; I1885-I1889 HydrophobicContact CG2-CG1 4.36Å; I1885-I1889 VanDerWaalsContact O-CG1 3.31Å; I1885-I1889 WeakPolarHBondContact O-CG1 3.03Å; I1885-I1889 PolarHBondContact O-N 3.3Å; Y1886-I1889 HydrophobicContact CD1-CD1 4.33Å; I1889-I1892 PolarHBondContact O-N 2.66Å; I1889-F1893 WeakPolarHBondContact O-CA 3.49Å; I1889-F1893 WeakPolarHBondContact O-CB 3.41Å; I1889-F1893 PolarHBondContact O-N 2.92Å |
| 1890 | G | 49.8 | Very low | 48.9 | Very low | 6 Ų | 6 | 43.2 Ų | 43.2 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.9 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1886 R1887 L1888 W1894 | Y1886-G1890 WeakPolarHBondContact O-CA 3.29Å; Y1886-G1890 PolarHBondContact O-N 3.27Å; R1887-G1890 PolarHBondContact O-N 3.24Å; L1888-G1890 VanDerWaalsContact C-N 3.31Å; L1888-G1890 PolarHBondContact O-N 2.71Å; G1890-W1894 WeakPolarHBondContact O-CB 3.46Å; G1890-W1894 PolarHBondContact O-N 3.03Å |
| 1891 | C | 50 | Low | 50 | Low | 38 Ų | 38 | 38.1 Ų | 38.1 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.3 | -45.9 | 174 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | R1887 L1888 W1894 L1895 | R1887-C1891 VanDerWaalsContact O-CB 3.32Å; R1887-C1891 WeakPolarHBondContact O-CB 3.41Å; R1887-C1891 PolarHBondContact O-N 3.42Å; R1887-C1891 PolarHBondContact O-SG 2.99Å; L1888-C1891 PolarHBondContact O-N 3.06Å; C1891-W1894 PolarHBondContact O-N 2.94Å; C1891-L1895 WeakPolarHBondContact O-CB 3.42Å; C1891-L1895 PolarHBondContact O-N 3.28Å |
| 1892 | I | 49.4 | Very low | 51.1 | Low | 22 Ų | 22 | 38.3 Ų | 38.3 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 176.8 | -66.3 | 166.8 | 0 | 0 | 0 | 110.4 | E1839 L1888 I1889 L1895 T1896 | E1839-I1892 HydrophobicContact CB-CG2 4.45Å; E1839-I1892 HydrophobicContact CG-CG2 4.2Å; E1839-I1892 WeakPolarHBondContact OE2-CG2 3.36Å; L1888-I1892 HydrophobicContact CD2-CD1 3.67Å; L1888-I1892 HydrophobicContact CG-CD1 3.68Å; L1888-I1892 HydrophobicContact CG-CG1 4.44Å; L1888-I1892 WeakPolarHBondContact O-CB 3.24Å; L1888-I1892 WeakPolarHBondContact O-CG1 3.37Å; L1888-I1892 PolarHBondContact O-N 2.94Å; I1889-I1892 PolarHBondContact O-N 2.66Å; I1892-L1895 WeakPolarHBondContact O-CB 3.28Å; I1892-L1895 PolarHBondContact O-N 3.13Å; I1892-T1896 WeakPolarHBondContact O-CB 3.49Å; I1892-T1896 WeakPolarHBondContact O-CG2 3.29Å; I1892-T1896 PolarHBondContact O-N 3.13Å; I1892-T1896 PolarHBondContact O-OG1 3.23Å |
| 1893 | F | 55.8 | Low | 52.3 | Low | 62 Ų | 62 | 37.3 Ų | 37.3 | 27% | 0.272 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 173.8 | -177.2 | -96 | 0 | 0 | 0 | 111.6 | I1867 I1889 T1896 V1897 | I1867-F1893 HydrophobicContact CG2-CE1 3.82Å; I1867-F1893 HydrophobicContact CG2-CZ 4.18Å; I1889-F1893 WeakPolarHBondContact O-CA 3.49Å; I1889-F1893 WeakPolarHBondContact O-CB 3.41Å; I1889-F1893 PolarHBondContact O-N 2.92Å; F1893-T1896 VanDerWaalsContact CA-OG1 3.28Å; F1893-T1896 WeakPolarHBondContact CA-OG1 3.44Å; F1893-T1896 PolarHBondContact O-N 3.31Å; F1893-T1896 PolarHBondContact O-OG1 2.91Å; F1893-V1897 HydrophobicContact CD1-CG2 4.19Å; F1893-V1897 HydrophobicContact CE1-CG2 3.89Å; F1893-V1897 HydrophobicContact CZ-CG2 4.06Å; F1893-V1897 WeakPolarHBondContact O-CB 3.37Å; F1893-V1897 WeakPolarHBondContact O-CG2 3.39Å; F1893-V1897 PolarHBondContact O-N 3.27Å |
| 1894 | W | 54.6 | Low | 53 | Low | 20 Ų | 20 | 41.1 Ų | 41.1 | 8% | 0.076 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70 | -33.7 | 175 | -99.5 | 106 | 0 | 0 | 0 | 113.3 | R1874 G1890 C1891 V1897 S1898 F1957 Y2069 | R1874-W1894 HydrophobicContact CB-CZ2 4.4Å; G1890-W1894 WeakPolarHBondContact O-CB 3.46Å; G1890-W1894 PolarHBondContact O-N 3.03Å; C1891-W1894 PolarHBondContact O-N 2.94Å; W1894-V1897 HydrophobicContact CE3-CG1 4.34Å; W1894-V1897 HydrophobicContact CZ3-CG1 4.32Å; W1894-S1898 WeakPolarHBondContact O-CB 3.5Å; W1894-S1898 PolarHBondContact O-N 2.99Å; W1894-F1957 HydrophobicContact CD2-CZ 4.43Å; W1894-F1957 HydrophobicContact CE3-CE1 4.05Å; W1894-F1957 AromaticContact CE3-CE2 3.75Å; W1894-F1957 HydrophobicContact CE3-CE2 3.75Å; W1894-F1957 AromaticContact CE3-CZ 3.2Å; W1894-F1957 HydrophobicContact CE3-CZ 3.2Å; W1894-F1957 HydrophobicContact CH2-CE1 4.39Å; W1894-F1957 HydrophobicContact CH2-CE2 4.34Å; W1894-F1957 HydrophobicContact CH2-CZ 4.06Å; W1894-F1957 HydrophobicContact CZ3-CD1 4.37Å; W1894-F1957 HydrophobicContact CZ3-CD2 4.5Å; W1894-F1957 AromaticContact CZ3-CE1 3.42Å; W1894-F1957 HydrophobicContact CZ3-CE1 3.42Å; W1894-F1957 VanDerWaalsContact CZ3-CE1 3.42Å; W1894-F1957 AromaticContact CZ3-CE2 3.56Å; W1894-F1957 HydrophobicContact CZ3-CE2 3.56Å; W1894-F1957 AromaticContact CZ3-CZ 2.97Å; W1894-F1957 HydrophobicContact CZ3-CZ 2.97Å; W1894-Y2069 PolarHBondContact O-OH 3.5Å |
| 1895 | L | 54 | Low | 53.5 | Low | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.199 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -47.8 | 171.7 | -101.7 | 146.8 | 0 | 0 | 0 | 111.3 | C1891 I1892 S1898 A1899 Y2069 | C1891-L1895 WeakPolarHBondContact O-CB 3.42Å; C1891-L1895 PolarHBondContact O-N 3.28Å; I1892-L1895 WeakPolarHBondContact O-CB 3.28Å; I1892-L1895 PolarHBondContact O-N 3.13Å; L1895-S1898 PolarHBondContact O-N 3.34Å; L1895-A1899 WeakPolarHBondContact O-CB 3.45Å; L1895-A1899 PolarHBondContact O-N 2.98Å; L1895-Y2069 HydrophobicContact CB-CE2 4.21Å; L1895-Y2069 HydrophobicContact CD1-CD2 4.14Å; L1895-Y2069 HydrophobicContact CD1-CG 4.22Å; L1895-Y2069 HydrophobicContact CD2-CD2 3.09Å; L1895-Y2069 HydrophobicContact CD2-CE2 3.29Å; L1895-Y2069 HydrophobicContact CD2-CG 3.96Å; L1895-Y2069 HydrophobicContact CG-CD1 4.37Å; L1895-Y2069 HydrophobicContact CG-CD2 3.38Å; L1895-Y2069 HydrophobicContact CG-CE1 4.35Å; L1895-Y2069 HydrophobicContact CG-CE2 3.36Å; L1895-Y2069 HydrophobicContact CG-CG 3.88Å |
| 1896 | T | 54.7 | Low | 54.7 | Low | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.7 | -41.3 | 177.5 | 46 | 0 | 0 | 0 | 0 | 111.9 | E1839 I1892 F1893 A1899 F1900 | E1839-T1896 HydrophobicContact CG-CG2 3.95Å; I1892-T1896 WeakPolarHBondContact O-CB 3.49Å; I1892-T1896 WeakPolarHBondContact O-CG2 3.29Å; I1892-T1896 PolarHBondContact O-N 3.13Å; I1892-T1896 PolarHBondContact O-OG1 3.23Å; F1893-T1896 VanDerWaalsContact CA-OG1 3.28Å; F1893-T1896 WeakPolarHBondContact CA-OG1 3.44Å; F1893-T1896 PolarHBondContact O-N 3.31Å; F1893-T1896 PolarHBondContact O-OG1 2.91Å; T1896-A1899 PolarHBondContact O-N 3.22Å; T1896-F1900 VanDerWaalsContact O-CB 3.32Å; T1896-F1900 WeakPolarHBondContact O-CB 3.23Å; T1896-F1900 PolarHBondContact O-N 2.92Å |
| 1897 | V | 59 | Low | 55.8 | Low | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 173.4 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | L1864 F1893 W1894 F1900 C1901 | L1864-V1897 HydrophobicContact CD2-CG2 3.96Å; F1893-V1897 HydrophobicContact CD1-CG2 4.19Å; F1893-V1897 HydrophobicContact CE1-CG2 3.89Å; F1893-V1897 HydrophobicContact CZ-CG2 4.06Å; F1893-V1897 WeakPolarHBondContact O-CB 3.37Å; F1893-V1897 WeakPolarHBondContact O-CG2 3.39Å; F1893-V1897 PolarHBondContact O-N 3.27Å; W1894-V1897 HydrophobicContact CE3-CG1 4.34Å; W1894-V1897 HydrophobicContact CZ3-CG1 4.32Å; V1897-F1900 WeakPolarHBondContact O-CB 3.36Å; V1897-F1900 PolarHBondContact O-N 3.42Å; V1897-C1901 PolarHBondContact O-N 2.93Å; V1897-C1901 PolarHBondContact O-SG 2.98Å |
| 1898 | S | 57.1 | Low | 56.8 | Low | 7 Ų | 7 | 29 Ų | 29 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | W1894 L1895 F1900 C1901 Q1902 Y2069 | W1894-S1898 WeakPolarHBondContact O-CB 3.5Å; W1894-S1898 PolarHBondContact O-N 2.99Å; L1895-S1898 PolarHBondContact O-N 3.34Å; S1898-F1900 VanDerWaalsContact C-N 3.33Å; S1898-F1900 PolarHBondContact O-N 3.21Å; S1898-C1901 PolarHBondContact O-N 3.22Å; S1898-Q1902 WeakPolarHBondContact O-CG 3.17Å; S1898-Q1902 PolarHBondContact O-N 3.35Å; S1898-Q1902 VanDerWaalsContact O-N 3.14Å; S1898-Y2069 WeakPolarHBondContact CB-OH 3.43Å; S1898-Y2069 PolarHBondContact OG-OH 3.45Å |
| 1899 | A | 55.2 | Low | 57.9 | Low | 39 Ų | 39 | 30.2 Ų | 30.2 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.1 | -36.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1843 L1895 T1896 Q1902 | L1843-A1899 HydrophobicContact CD2-CB 4.11Å; L1895-A1899 WeakPolarHBondContact O-CB 3.45Å; L1895-A1899 PolarHBondContact O-N 2.98Å; T1896-A1899 PolarHBondContact O-N 3.22Å; A1899-Q1902 PolarHBondContact O-N 3.08Å |
| 1900 | F | 58.4 | Low | 58.9 | Low | 25 Ų | 25 | 28.6 Ų | 28.6 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -47.5 | 173.7 | -164 | -62.9 | 0 | 0 | 0 | 111.2 | L1846 L1861 L1864 T1896 V1897 S1898 Q1902 L1903 V1906 | L1846-F1900 HydrophobicContact CD1-CB 4.41Å; L1846-F1900 HydrophobicContact CD1-CD2 3.1Å; L1846-F1900 HydrophobicContact CD1-CE2 3.44Å; L1846-F1900 VanDerWaalsContact CD1-CE2 3.44Å; L1846-F1900 HydrophobicContact CD1-CG 3.92Å; L1846-F1900 HydrophobicContact CD1-CZ 4.43Å; L1846-F1900 HydrophobicContact CD2-CD2 3.75Å; L1846-F1900 HydrophobicContact CD2-CE2 3.05Å; L1846-F1900 HydrophobicContact CD2-CZ 3.5Å; L1846-F1900 VanDerWaalsContact CD2-CZ 3.5Å; L1846-F1900 HydrophobicContact CG-CD2 4Å; L1846-F1900 HydrophobicContact CG-CE2 3.83Å; L1861-F1900 HydrophobicContact CD2-CE1 3.88Å; L1864-F1900 HydrophobicContact CD1-CD1 4.26Å; L1864-F1900 HydrophobicContact CD1-CD2 4.03Å; L1864-F1900 HydrophobicContact CD1-CE1 3.87Å; L1864-F1900 HydrophobicContact CD1-CE2 3.57Å; L1864-F1900 HydrophobicContact CD1-CG 4.39Å; L1864-F1900 HydrophobicContact CD1-CZ 3.53Å; T1896-F1900 VanDerWaalsContact O-CB 3.32Å; T1896-F1900 WeakPolarHBondContact O-CB 3.23Å; T1896-F1900 PolarHBondContact O-N 2.92Å; V1897-F1900 WeakPolarHBondContact O-CB 3.36Å; V1897-F1900 PolarHBondContact O-N 3.42Å; S1898-F1900 VanDerWaalsContact C-N 3.33Å; S1898-F1900 PolarHBondContact O-N 3.21Å; F1900-Q1902 PolarHBondContact O-N 3.45Å; F1900-L1903 WeakPolarHBondContact O-CB 3.44Å; F1900-L1903 PolarHBondContact O-N 3.37Å; F1900-V1906 HydrophobicContact CE1-CG2 4.22Å |
| 1901 | C | 61.7 | Low | 60.1 | Low | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.3 | -19.1 | -178.5 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | V1897 S1898 L1903 L1907 C1910 L1958 | V1897-C1901 PolarHBondContact O-N 2.93Å; V1897-C1901 PolarHBondContact O-SG 2.98Å; S1898-C1901 PolarHBondContact O-N 3.22Å; C1901-L1903 VanDerWaalsContact C-N 3.32Å; C1901-L1907 VanDerWaalsContact O-CA 3.25Å; C1901-L1907 WeakPolarHBondContact O-CA 3.47Å; C1901-L1907 VanDerWaalsContact O-CB 3.31Å; C1901-L1907 WeakPolarHBondContact O-CB 3.46Å; C1901-L1907 WeakPolarHBondContact O-CD1 3.44Å; C1901-C1910 HydrophobicContact CB-CB 4.22Å; C1901-C1910 VanDerWaalsContact SG-SG 3.69Å; C1901-L1958 HydrophobicContact CB-CD2 3.18Å |
| 1902 | Q | 61.5 | Low | 61.3 | Low | 61 Ų | 61 | 27.1 Ų | 27.1 | 29% | 0.285 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -6.2 | 174 | -75.5 | -179.1 | -1.8 | 0 | 0 | 114.3 | S1898 A1899 F1900 L1958 | S1898-Q1902 WeakPolarHBondContact O-CG 3.17Å; S1898-Q1902 PolarHBondContact O-N 3.35Å; S1898-Q1902 VanDerWaalsContact O-N 3.14Å; A1899-Q1902 PolarHBondContact O-N 3.08Å; F1900-Q1902 PolarHBondContact O-N 3.45Å; Q1902-L1958 VanDerWaalsContact CG-O 3.3Å; Q1902-L1958 WeakPolarHBondContact CG-O 3.43Å; Q1902-L1958 PolarHBondContact NE2-O 3.28Å |
| 1903 | L | 60.4 | Low | 62.6 | Low | 35 Ų | 35 | 26 Ų | 26 | 18% | 0.183 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -67.3 | 134.4 | 177.4 | -80.6 | 155.5 | 0 | 0 | 0 | 111.2 | L1846 F1900 C1901 A1905 V1906 L1907 | L1846-L1903 HydrophobicContact CB-CD1 3.64Å; L1846-L1903 HydrophobicContact CD1-CD1 4.49Å; F1900-L1903 WeakPolarHBondContact O-CB 3.44Å; F1900-L1903 PolarHBondContact O-N 3.37Å; C1901-L1903 VanDerWaalsContact C-N 3.32Å; L1903-A1905 PolarHBondContact O-N 3.08Å; L1903-V1906 PolarHBondContact O-N 2.89Å; L1903-L1907 WeakPolarHBondContact O-CB 3.37Å; L1903-L1907 PolarHBondContact O-N 2.79Å |
| 1904 | P | 57.6 | Low | 63.5 | Low | 96 Ų | 96 | 24.9 Ų | 24.9 | 62% | 0.623 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.1 | -178.3 | -24.3 | 31.7 | 0 | 0 | 0 | 114.4 | V1906 | P1904-V1906 VanDerWaalsContact C-N 3.31Å; P1904-V1906 PolarHBondContact O-N 3.22Å |
| 1905 | A | 57.5 | Low | 64.4 | Low | 29 Ų | 29 | 25 Ų | 25 | 24% | 0.24 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -12.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1903 I1931 | L1903-A1905 PolarHBondContact O-N 3.08Å; A1905-I1931 HydrophobicContact CB-CG2 3.68Å |
| 1906 | V | 65.7 | Low | 65.4 | Low | 7 Ų | 7 | 23.2 Ų | 23.2 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | -27 | -170.6 | -168.2 | 0 | 0 | 0 | 0 | 112.2 | L1849 L1861 F1900 L1903 P1904 D1908 M1909 C1910 | L1849-V1906 HydrophobicContact CD1-CG2 4.43Å; L1861-V1906 HydrophobicContact CD2-CB 4.32Å; L1861-V1906 HydrophobicContact CD2-CG1 3.31Å; L1861-V1906 HydrophobicContact CD2-CG2 3.96Å; F1900-V1906 HydrophobicContact CE1-CG2 4.22Å; L1903-V1906 PolarHBondContact O-N 2.89Å; P1904-V1906 VanDerWaalsContact C-N 3.31Å; P1904-V1906 PolarHBondContact O-N 3.22Å; V1906-D1908 VanDerWaalsContact C-N 3.31Å; V1906-D1908 PolarHBondContact O-N 3.16Å; V1906-M1909 WeakPolarHBondContact O-CA 3.38Å; V1906-M1909 WeakPolarHBondContact O-CB 3.28Å; V1906-M1909 PolarHBondContact O-N 3.34Å; V1906-C1910 PolarHBondContact O-N 2.7Å; V1906-C1910 VanDerWaalsContact O-N 3.08Å |
| 1907 | L | 69.1 | Low | 66.4 | Low | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.6 | -39.7 | -173.1 | -177.8 | 59.1 | 0 | 0 | 0 | 113.7 | C1901 L1903 M1909 C1910 L1911 L1958 S1961 | C1901-L1907 VanDerWaalsContact O-CA 3.25Å; C1901-L1907 WeakPolarHBondContact O-CA 3.47Å; C1901-L1907 VanDerWaalsContact O-CB 3.31Å; C1901-L1907 WeakPolarHBondContact O-CB 3.46Å; C1901-L1907 WeakPolarHBondContact O-CD1 3.44Å; L1903-L1907 WeakPolarHBondContact O-CB 3.37Å; L1903-L1907 PolarHBondContact O-N 2.79Å; L1907-M1909 VanDerWaalsContact C-N 3.26Å; L1907-M1909 PolarHBondContact O-N 3.04Å; L1907-C1910 PolarHBondContact O-N 3.26Å; L1907-C1910 VanDerWaalsContact O-N 3.15Å; L1907-L1911 HydrophobicContact CD1-CD1 4.01Å; L1907-L1911 HydrophobicContact CD1-CG 4.13Å; L1907-L1911 HydrophobicContact CG-CD1 3.94Å; L1907-L1911 PolarHBondContact O-N 3.31Å; L1907-L1958 HydrophobicContact CD1-CB 4.01Å; L1907-L1958 HydrophobicContact CD1-CD1 4.3Å; L1907-S1961 VanDerWaalsContact CD2-OG 3.22Å; L1907-S1961 WeakPolarHBondContact CD2-OG 3.26Å |
| 1908 | D | 66.3 | Low | 67 | Low | 45 Ų | 45 | 35.6 Ų | 35.6 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -32.3 | 177.5 | -63.1 | -15 | 0 | 0 | 0 | 112.4 | V1906 F1934 Q1965 | V1906-D1908 VanDerWaalsContact C-N 3.31Å; V1906-D1908 PolarHBondContact O-N 3.16Å; D1908-F1934 HydrophobicContact CB-CB 4.46Å; D1908-Q1965 PolarHBondContact OD1-NE2 2.93Å; D1908-Q1965 VanDerWaalsContact OD1-NE2 3.09Å |
| 1909 | M | 69.8 | Low | 67.8 | Low | 45 Ų | 45 | 40.6 Ų | 40.6 | 22% | 0.222 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -77.6 | -32.8 | 175.9 | -166 | 176.4 | 177.2 | 0 | 0 | 111.6 | L1865 V1906 L1907 A1912 F1934 | L1865-M1909 HydrophobicContact CD1-CE 3.81Å; L1865-M1909 HydrophobicContact CD1-CG 4.13Å; L1865-M1909 HydrophobicContact CD1-SD 4.13Å; V1906-M1909 WeakPolarHBondContact O-CA 3.38Å; V1906-M1909 WeakPolarHBondContact O-CB 3.28Å; V1906-M1909 PolarHBondContact O-N 3.34Å; L1907-M1909 VanDerWaalsContact C-N 3.26Å; L1907-M1909 PolarHBondContact O-N 3.04Å; M1909-A1912 WeakPolarHBondContact O-CB 3.3Å; M1909-F1934 HydrophobicContact CB-CD2 3.99Å; M1909-F1934 HydrophobicContact CB-CE2 4.14Å; M1909-F1934 HydrophobicContact CB-CG 4.43Å; M1909-F1934 HydrophobicContact CE-CE2 4.06Å; M1909-F1934 HydrophobicContact CE-CZ 3.84Å; M1909-F1934 HydrophobicContact CG-CD2 3.91Å; M1909-F1934 HydrophobicContact CG-CE1 4.23Å; M1909-F1934 HydrophobicContact CG-CE2 3.56Å; M1909-F1934 HydrophobicContact CG-CG 4.41Å; M1909-F1934 HydrophobicContact CG-CZ 3.76Å; M1909-F1934 HydrophobicContact SD-CD2 4.44Å; M1909-F1934 HydrophobicContact SD-CE2 3.68Å; M1909-F1934 HydrophobicContact SD-CZ 4.05Å |
| 1910 | C | 69.8 | Low | 68.7 | Low | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -75.5 | -31.8 | 177.8 | -69.4 | 0 | 0 | 0 | 0 | 113.6 | L1865 C1901 V1906 L1907 A1912 R1954 L1958 | L1865-C1910 HydrophobicContact CD2-CB 4.31Å; L1865-C1910 VanDerWaalsContact CD2-SG 3.55Å; C1901-C1910 HydrophobicContact CB-CB 4.22Å; C1901-C1910 VanDerWaalsContact SG-SG 3.69Å; V1906-C1910 PolarHBondContact O-N 2.7Å; V1906-C1910 VanDerWaalsContact O-N 3.08Å; L1907-C1910 PolarHBondContact O-N 3.26Å; L1907-C1910 VanDerWaalsContact O-N 3.15Å; C1910-A1912 VanDerWaalsContact C-N 3.28Å; C1910-A1912 PolarHBondContact O-N 3.12Å; C1910-R1954 PolarHBondContact O-NH1 3.32Å; C1910-R1954 VanDerWaalsContact O-NH1 3.1Å; C1910-L1958 HydrophobicContact CB-CD1 3.65Å |
| 1911 | L | 74.7 | Confident | 69.4 | Low | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -72.7 | -17.3 | 175.5 | -79.2 | 165.7 | 0 | 0 | 0 | 113 | L1907 Y1951 V1955 L1958 Q1965 | L1907-L1911 HydrophobicContact CD1-CD1 4.01Å; L1907-L1911 HydrophobicContact CD1-CG 4.13Å; L1907-L1911 HydrophobicContact CG-CD1 3.94Å; L1907-L1911 PolarHBondContact O-N 3.31Å; L1911-Y1951 WeakPolarHBondContact O-CD2 2.93Å; L1911-Y1951 WeakPolarHBondContact O-CE2 3.11Å; L1911-V1955 HydrophobicContact CD2-CG2 4.1Å; L1911-L1958 HydrophobicContact CD2-CD1 4.18Å; L1911-L1958 HydrophobicContact CG-CD1 4.18Å; L1911-Q1965 HydrophobicContact CD1-CG 4.47Å |
| 1912 | A | 75 | Confident | 70 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -63.4 | 123.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1909 C1910 F1914 W1921 | M1909-A1912 WeakPolarHBondContact O-CB 3.3Å; C1910-A1912 VanDerWaalsContact C-N 3.28Å; C1910-A1912 PolarHBondContact O-N 3.12Å; A1912-F1914 PolarHBondContact O-N 3.37Å; A1912-W1921 HydrophobicContact CB-CH2 4.2Å; A1912-W1921 HydrophobicContact CB-CZ3 4.04Å |
| 1913 | P | 77.7 | Confident | 70.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -77.2 | 111.5 | 178 | 29 | -27.3 | 0 | 0 | 0 | 109.4 | S1915 A1916 V1937 V1947 D1950 Y1951 | P1913-S1915 PolarHBondContact O-N 2.9Å; P1913-A1916 HydrophobicContact CG-CB 4.18Å; P1913-A1916 VanDerWaalsContact O-CB 3.25Å; P1913-A1916 WeakPolarHBondContact O-CB 3.4Å; P1913-A1916 PolarHBondContact O-N 3.42Å; P1913-V1937 HydrophobicContact CG-CG2 3.66Å; P1913-V1947 HydrophobicContact CB-CG1 4.09Å; P1913-V1947 HydrophobicContact CG-CG1 3.86Å; P1913-D1950 HydrophobicContact CB-CB 4.28Å; P1913-Y1951 HydrophobicContact CB-CD2 4.45Å; P1913-Y1951 HydrophobicContact CG-CD2 4Å | ||
| 1914 | F | 73.4 | Confident | 70.3 | Confident | 38 Ų | 38 | 51 Ų | 51 | 17% | 0.167 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -66 | -24.6 | -177.2 | -64.9 | -38.9 | 0 | 0 | 0 | 113.3 | L1865 H1869 A1912 A1916 F1917 D1950 | L1865-F1914 HydrophobicContact CB-CE2 4.32Å; L1865-F1914 HydrophobicContact CB-CZ 4.1Å; L1865-F1914 HydrophobicContact CD1-CZ 4.2Å; L1865-F1914 HydrophobicContact CD2-CE2 4.28Å; L1865-F1914 HydrophobicContact CD2-CZ 3.84Å; L1865-F1914 HydrophobicContact CG-CZ 4.26Å; H1869-F1914 HydrophobicContact CB-CD2 4.2Å; H1869-F1914 HydrophobicContact CB-CE2 4.36Å; H1869-F1914 AromaticContact CD2-CD2 3.99Å; H1869-F1914 AromaticContact CE1-CD2 3.97Å; H1869-F1914 AromaticContact CG-CD2 3.76Å; H1869-F1914 AromaticContact ND1-CD2 3.76Å; A1912-F1914 PolarHBondContact O-N 3.37Å; F1914-A1916 PolarHBondContact O-N 3.25Å; F1914-F1917 HydrophobicContact CB-CD2 4.31Å; F1914-F1917 AromaticContact CD1-CD2 3.86Å; F1914-F1917 HydrophobicContact CD1-CD2 3.86Å; F1914-F1917 AromaticContact CD1-CE2 3.27Å; F1914-F1917 HydrophobicContact CD1-CE2 3.27Å; F1914-F1917 AromaticContact CD1-CZ 3.97Å; F1914-F1917 HydrophobicContact CD1-CZ 3.97Å; F1914-F1917 AromaticContact CE1-CE2 3.79Å; F1914-F1917 HydrophobicContact CE1-CE2 3.79Å; F1914-F1917 HydrophobicContact CE1-CZ 4.32Å; F1914-F1917 HydrophobicContact CG-CE2 4.3Å; F1914-F1917 WeakPolarHBondContact O-CB 3.33Å; F1914-F1917 PolarHBondContact O-N 3.24Å; F1914-F1917 VanDerWaalsContact O-N 3.08Å; F1914-D1950 PolarHBondContact N-OD2 2.89Å |
| 1915 | S | 74.8 | Confident | 70.5 | Confident | 22 Ų | 22 | 52 Ų | 52 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -54.7 | -30.9 | 167.5 | 41.9 | 0 | 0 | 0 | 0 | 113.3 | P1913 F1917 K1918 Y1919 V1947 D1950 | P1913-S1915 PolarHBondContact O-N 2.9Å; S1915-F1917 VanDerWaalsContact C-N 3.27Å; S1915-F1917 PolarHBondContact O-N 3.11Å; S1915-K1918 PolarHBondContact O-N 3.47Å; S1915-Y1919 WeakPolarHBondContact O-CD2 3.49Å; S1915-V1947 WeakPolarHBondContact OG-CA 2.98Å; S1915-D1950 WeakPolarHBondContact CB-OD2 3.37Å; S1915-D1950 PolarHBondContact N-OD2 2.71Å; S1915-D1950 VanDerWaalsContact N-OD2 3.17Å; S1915-D1950 WeakPolarHBondContact OG-CB 3.49Å; S1915-D1950 PolarHBondContact OG-OD2 3.08Å |
| 1916 | A | 74.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -67.3 | -25.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1913 F1914 K1918 Y1919 G1920 W1921 V1947 | P1913-A1916 HydrophobicContact CG-CB 4.18Å; P1913-A1916 VanDerWaalsContact O-CB 3.25Å; P1913-A1916 WeakPolarHBondContact O-CB 3.4Å; P1913-A1916 PolarHBondContact O-N 3.42Å; F1914-A1916 PolarHBondContact O-N 3.25Å; A1916-K1918 VanDerWaalsContact C-N 3.26Å; A1916-K1918 PolarHBondContact O-N 2.92Å; A1916-Y1919 PolarHBondContact O-N 2.72Å; A1916-Y1919 VanDerWaalsContact O-N 3.07Å; A1916-G1920 PolarHBondContact O-N 3.48Å; A1916-W1921 HydrophobicContact CB-CB 4.14Å; A1916-W1921 HydrophobicContact CB-CD2 4.43Å; A1916-W1921 HydrophobicContact CB-CE3 3.83Å; A1916-W1921 PolarHBondContact O-N 3.15Å; A1916-V1947 HydrophobicContact CB-CG1 3.79Å; A1916-V1947 HydrophobicContact CB-CG2 4.4Å |
| 1917 | F | 76 | Confident | 70.2 | Confident | 84 Ų | 84 | 62.7 Ų | 62.7 | 37% | 0.368 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -64.7 | -31.8 | 176.9 | -62.5 | -27.3 | 0 | 0 | 0 | 112 | F1914 S1915 Y1919 G1920 W1921 P1923 | F1914-F1917 HydrophobicContact CB-CD2 4.31Å; F1914-F1917 AromaticContact CD1-CD2 3.86Å; F1914-F1917 HydrophobicContact CD1-CD2 3.86Å; F1914-F1917 AromaticContact CD1-CE2 3.27Å; F1914-F1917 HydrophobicContact CD1-CE2 3.27Å; F1914-F1917 AromaticContact CD1-CZ 3.97Å; F1914-F1917 HydrophobicContact CD1-CZ 3.97Å; F1914-F1917 AromaticContact CE1-CE2 3.79Å; F1914-F1917 HydrophobicContact CE1-CE2 3.79Å; F1914-F1917 HydrophobicContact CE1-CZ 4.32Å; F1914-F1917 HydrophobicContact CG-CE2 4.3Å; F1914-F1917 WeakPolarHBondContact O-CB 3.33Å; F1914-F1917 PolarHBondContact O-N 3.24Å; F1914-F1917 VanDerWaalsContact O-N 3.08Å; S1915-F1917 VanDerWaalsContact C-N 3.27Å; S1915-F1917 PolarHBondContact O-N 3.11Å; F1917-Y1919 PolarHBondContact O-N 3.44Å; F1917-G1920 PolarHBondContact O-N 3.12Å; F1917-W1921 HydrophobicContact CD1-CE3 4.04Å; F1917-W1921 VanDerWaalsContact CD1-O 3.28Å; F1917-W1921 WeakPolarHBondContact CD1-O 3.4Å; F1917-W1921 AromaticContact CE1-CE3 3.76Å; F1917-W1921 HydrophobicContact CE1-CE3 3.76Å; F1917-W1921 AromaticContact CE1-CZ3 3.94Å; F1917-W1921 HydrophobicContact CE1-CZ3 3.94Å; F1917-P1923 HydrophobicContact CE1-CG 3.93Å; F1917-P1923 HydrophobicContact CZ-CG 4.31Å |
| 1918 | K | 71.4 | Confident | 69.4 | Low | 193 Ų | 193 | 66.8 Ų | 66.8 | 84% | 0.839 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -63.6 | -26.3 | 173.5 | -78.2 | -175.3 | 174.4 | -179.1 | 0 | 112.9 | S1915 A1916 | S1915-K1918 PolarHBondContact O-N 3.47Å; A1916-K1918 VanDerWaalsContact C-N 3.26Å; A1916-K1918 PolarHBondContact O-N 2.92Å |
| 1919 | Y | 73.3 | Confident | 68.6 | Low | 112 Ų | 112 | 72.2 Ų | 72.2 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -97.9 | 12.8 | -178.3 | -62 | -73.4 | 0 | 0 | 0 | 113.2 | S1915 A1916 F1917 F1941 N1944 V1947 | S1915-Y1919 WeakPolarHBondContact O-CD2 3.49Å; A1916-Y1919 PolarHBondContact O-N 2.72Å; A1916-Y1919 VanDerWaalsContact O-N 3.07Å; F1917-Y1919 PolarHBondContact O-N 3.44Å; Y1919-F1941 WeakPolarHBondContact O-CE1 3.35Å; Y1919-N1944 VanDerWaalsContact CZ-ND2 3.35Å; Y1919-N1944 PolarHBondContact OH-ND2 2.9Å; Y1919-V1947 HydrophobicContact CD2-CG2 3.63Å; Y1919-V1947 HydrophobicContact CE2-CG2 3.78Å |
| 1920 | G | 73.9 | Confident | 67.9 | Low | 57 Ų | 57 | 72.8 Ų | 72.8 | 59% | 0.588 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | 14.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1916 F1917 | A1916-G1920 PolarHBondContact O-N 3.48Å; F1917-G1920 PolarHBondContact O-N 3.12Å |
| 1921 | W | 73.1 | Confident | 66.9 | Low | 21 Ų | 21 | 76.1 Ų | 76.1 | 8% | 0.08 | 40% | 0.403 | C | S | . | . | trans | -77.1 | 122.7 | 172.4 | -175.1 | 53.2 | 0 | 0 | 0 | 111.1 | A1912 A1916 F1917 P1923 S1935 V1937 F1941 | A1912-W1921 HydrophobicContact CB-CH2 4.2Å; A1912-W1921 HydrophobicContact CB-CZ3 4.04Å; A1916-W1921 HydrophobicContact CB-CB 4.14Å; A1916-W1921 HydrophobicContact CB-CD2 4.43Å; A1916-W1921 HydrophobicContact CB-CE3 3.83Å; A1916-W1921 PolarHBondContact O-N 3.15Å; F1917-W1921 HydrophobicContact CD1-CE3 4.04Å; F1917-W1921 VanDerWaalsContact CD1-O 3.28Å; F1917-W1921 WeakPolarHBondContact CD1-O 3.4Å; F1917-W1921 AromaticContact CE1-CE3 3.76Å; F1917-W1921 HydrophobicContact CE1-CE3 3.76Å; F1917-W1921 AromaticContact CE1-CZ3 3.94Å; F1917-W1921 HydrophobicContact CE1-CZ3 3.94Å; W1921-P1923 HydrophobicContact CH2-CB 4.06Å; W1921-P1923 HydrophobicContact CZ2-CB 3.97Å; W1921-S1935 WeakPolarHBondContact CZ2-O 3.42Å; W1921-V1937 HydrophobicContact CE3-CG2 4.17Å; W1921-V1937 HydrophobicContact CH2-CB 4.3Å; W1921-V1937 HydrophobicContact CH2-CG2 3.33Å; W1921-V1937 HydrophobicContact CZ2-CB 4.22Å; W1921-V1937 HydrophobicContact CZ2-CG2 3.73Å; W1921-V1937 HydrophobicContact CZ3-CG2 3.58Å; W1921-F1941 HydrophobicContact CB-CD1 4.27Å; W1921-F1941 HydrophobicContact CB-CD2 3.99Å; W1921-F1941 HydrophobicContact CB-CE1 4.01Å; W1921-F1941 HydrophobicContact CB-CE2 3.71Å; W1921-F1941 HydrophobicContact CB-CG 4.27Å; W1921-F1941 HydrophobicContact CB-CZ 3.72Å; W1921-F1941 AromaticContact CD1-CD2 3.82Å; W1921-F1941 AromaticContact CD1-CE2 3.43Å; W1921-F1941 VanDerWaalsContact CD1-CE2 3.43Å; W1921-F1941 AromaticContact CG-CD2 3.95Å; W1921-F1941 HydrophobicContact CG-CD2 3.95Å; W1921-F1941 AromaticContact CG-CE2 3.79Å; W1921-F1941 HydrophobicContact CG-CE2 3.79Å; W1921-F1941 HydrophobicContact CG-CZ 4.29Å | ||
| 1922 | I | 73.4 | Confident | 66 | Low | 149 Ų | 149 | 78.2 Ų | 78.2 | 76% | 0.764 | 42% | 0.419 | S | S | * | . | trans | -117.9 | 113.1 | 174.5 | -54.8 | 173 | 0 | 0 | 0 | 107.5 | ||||
| 1923 | P | 65.3 | Low | 65.3 | Low | 25 Ų | 25 | 79.7 Ų | 79.7 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | trans | -76.1 | 138.7 | -175 | 24.9 | -28.5 | 0 | 0 | 0 | 112.2 | F1917 W1921 F1934 | F1917-P1923 HydrophobicContact CE1-CG 3.93Å; F1917-P1923 HydrophobicContact CZ-CG 4.31Å; W1921-P1923 HydrophobicContact CH2-CB 4.06Å; W1921-P1923 HydrophobicContact CZ2-CB 3.97Å; P1923-F1934 HydrophobicContact CB-CD1 3.45Å; P1923-F1934 VanDerWaalsContact CB-CD1 3.45Å; P1923-F1934 HydrophobicContact CB-CE1 3.79Å; P1923-F1934 HydrophobicContact CB-CG 4.37Å; P1923-F1934 HydrophobicContact CG-CD1 3.49Å; P1923-F1934 VanDerWaalsContact CG-CD1 3.49Å; P1923-F1934 HydrophobicContact CG-CE1 3.26Å; P1923-F1934 HydrophobicContact CG-CZ 4.32Å | ||
| 1924 | E | 64.8 | Low | 64.8 | Low | 132 Ų | 132 | 81 Ų | 81 | 62% | 0.617 | 43% | 0.434 | S | S | * | . | trans | -80.6 | 122.3 | 172.2 | -77.7 | -173.6 | 165 | 0 | 0 | 110.1 | S1935 | E1924-S1935 PolarHBondContact N-OG 2.65Å; E1924-S1935 PolarHBondContact O-N 3.42Å | ||
| 1925 | L | 61.1 | Low | 64.5 | Low | 117 Ų | 117 | 81.1 Ų | 81.1 | 61% | 0.613 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 114.1 | 174.3 | -93.1 | 151.2 | 0 | 0 | 0 | 110 | F1934 | L1925-F1934 HydrophobicContact CD1-CE2 4.45Å; L1925-F1934 HydrophobicContact CD2-CD2 3.94Å; L1925-F1934 HydrophobicContact CD2-CE2 3.65Å; L1925-F1934 HydrophobicContact CG-CD2 4.35Å; L1925-F1934 HydrophobicContact CG-CE2 3.98Å; L1925-F1934 HydrophobicContact CG-CZ 4.48Å |
| 1926 | K | 60 | Low | 64.2 | Low | 123 Ų | 123 | 83.6 Ų | 83.6 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.3 | 172.3 | -75 | -179.4 | -179.9 | 172.7 | 0 | 109.8 | S1933 | K1926-S1933 PolarHBondContact N-O 2.98Å; K1926-S1933 PolarHBondContact O-N 3.2Å; K1926-S1933 PolarHBondContact O-OG 3.32Å |
| 1927 | L | 55.9 | Low | 64.1 | Low | 137 Ų | 137 | 84.4 Ų | 84.4 | 72% | 0.717 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 108.6 | 174.5 | -108 | 148 | 0 | 0 | 0 | 108.6 | ||
| 1928 | V | 53.6 | Low | 63.9 | Low | 86 Ų | 86 | 83 Ų | 83 | 52% | 0.521 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.8 | 176.3 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | G1930 I1931 | V1928-G1930 VanDerWaalsContact C-N 3.32Å; V1928-G1930 PolarHBondContact O-N 3.29Å; V1928-I1931 PolarHBondContact N-O 2.72Å; V1928-I1931 PolarHBondContact O-N 2.87Å |
| 1929 | N | 48.8 | Very low | 64.1 | Low | 159 Ų | 159 | 76.4 Ų | 76.4 | 85% | 0.85 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 35.6 | -178.9 | -60.7 | -19.4 | 0 | 0 | 0 | 115.7 | I1931 | N1929-I1931 VanDerWaalsContact C-N 3.32Š|
| 1930 | G | 54.4 | Low | 64.2 | Low | 58 Ų | 58 | 81.5 Ų | 81.5 | 60% | 0.598 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 11 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1928 | V1928-G1930 VanDerWaalsContact C-N 3.32Å; V1928-G1930 PolarHBondContact O-N 3.29Å |
| 1931 | I | 49.8 | Very low | 64.5 | Low | 73 Ų | 73 | 81.2 Ų | 81.2 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.9 | 176.5 | -55.7 | 172.3 | 0 | 0 | 0 | 108.2 | A1905 V1928 N1929 | A1905-I1931 HydrophobicContact CB-CG2 3.68Å; V1928-I1931 PolarHBondContact N-O 2.72Å; V1928-I1931 PolarHBondContact O-N 2.87Å; N1929-I1931 VanDerWaalsContact C-N 3.32Å |
| 1932 | S | 55.6 | Low | 64.7 | Low | 52 Ų | 52 | 80.2 Ų | 80.2 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 115.5 | 179.7 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1933 | S | 60.2 | Low | 64.8 | Low | 35 Ų | 35 | 79.1 Ų | 79.1 | 25% | 0.245 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 143.2 | 172.3 | 69 | 0 | 0 | 0 | 0 | 111.8 | K1926 | K1926-S1933 PolarHBondContact N-O 2.98Å; K1926-S1933 PolarHBondContact O-N 3.2Å; K1926-S1933 PolarHBondContact O-OG 3.32Å |
| 1934 | F | 67.2 | Low | 65.5 | Low | 29 Ų | 29 | 79.9 Ų | 79.9 | 13% | 0.127 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 141.9 | 175 | -91 | -126 | 0 | 0 | 0 | 109.8 | D1908 M1909 P1923 L1925 | D1908-F1934 HydrophobicContact CB-CB 4.46Å; M1909-F1934 HydrophobicContact CB-CD2 3.99Å; M1909-F1934 HydrophobicContact CB-CE2 4.14Å; M1909-F1934 HydrophobicContact CB-CG 4.43Å; M1909-F1934 HydrophobicContact CE-CE2 4.06Å; M1909-F1934 HydrophobicContact CE-CZ 3.84Å; M1909-F1934 HydrophobicContact CG-CD2 3.91Å; M1909-F1934 HydrophobicContact CG-CE1 4.23Å; M1909-F1934 HydrophobicContact CG-CE2 3.56Å; M1909-F1934 HydrophobicContact CG-CG 4.41Å; M1909-F1934 HydrophobicContact CG-CZ 3.76Å; M1909-F1934 HydrophobicContact SD-CD2 4.44Å; M1909-F1934 HydrophobicContact SD-CE2 3.68Å; M1909-F1934 HydrophobicContact SD-CZ 4.05Å; P1923-F1934 HydrophobicContact CB-CD1 3.45Å; P1923-F1934 VanDerWaalsContact CB-CD1 3.45Å; P1923-F1934 HydrophobicContact CB-CE1 3.79Å; P1923-F1934 HydrophobicContact CB-CG 4.37Å; P1923-F1934 HydrophobicContact CG-CD1 3.49Å; P1923-F1934 VanDerWaalsContact CG-CD1 3.49Å; P1923-F1934 HydrophobicContact CG-CE1 3.26Å; P1923-F1934 HydrophobicContact CG-CZ 4.32Å; L1925-F1934 HydrophobicContact CD1-CE2 4.45Å; L1925-F1934 HydrophobicContact CD2-CD2 3.94Å; L1925-F1934 HydrophobicContact CD2-CE2 3.65Å; L1925-F1934 HydrophobicContact CG-CD2 4.35Å; L1925-F1934 HydrophobicContact CG-CE2 3.98Å; L1925-F1934 HydrophobicContact CG-CZ 4.48Å |
| 1935 | S | 68.1 | Low | 66.1 | Low | 39 Ų | 39 | 74.9 Ų | 74.9 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 135.5 | 168.1 | 61 | 0 | 0 | 0 | 0 | 111.1 | W1921 E1924 | W1921-S1935 WeakPolarHBondContact CZ2-O 3.42Å; E1924-S1935 PolarHBondContact N-OG 2.65Å; E1924-S1935 PolarHBondContact O-N 3.42Å |
| 1936 | N | 66.8 | Low | 66.8 | Low | 75 Ų | 75 | 73.8 Ų | 73.8 | 40% | 0.401 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 148.2 | 173.9 | -87.6 | -26.2 | 0 | 0 | 0 | 112.8 | S1938 E1968 | N1936-S1938 PolarHBondContact O-N 2.87Å; N1936-E1968 PolarHBondContact ND2-OE2 2.82Å |
| 1937 | V | 73.4 | Confident | 67.9 | Low | 16 Ų | 16 | 67.9 Ų | 67.9 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.8 | 179.4 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | P1913 W1921 V1939 F1941 L1942 | P1913-V1937 HydrophobicContact CG-CG2 3.66Å; W1921-V1937 HydrophobicContact CE3-CG2 4.17Å; W1921-V1937 HydrophobicContact CH2-CB 4.3Å; W1921-V1937 HydrophobicContact CH2-CG2 3.33Å; W1921-V1937 HydrophobicContact CZ2-CB 4.22Å; W1921-V1937 HydrophobicContact CZ2-CG2 3.73Å; W1921-V1937 HydrophobicContact CZ3-CG2 3.58Å; V1937-V1939 PolarHBondContact O-N 3.22Å; V1937-F1941 HydrophobicContact CG1-CB 4.05Å; V1937-L1942 HydrophobicContact CG1-CD1 4.32Å; V1937-L1942 HydrophobicContact CG1-CD2 4.36Å; V1937-L1942 HydrophobicContact CG1-CG 3.89Å |
| 1938 | S | 72.5 | Confident | 69.3 | Low | 54 Ų | 54 | 61.4 Ų | 61.4 | 38% | 0.378 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 133.4 | 171.8 | 159.9 | 0 | 0 | 0 | 0 | 110.6 | N1936 R1940 F1941 | N1936-S1938 PolarHBondContact O-N 2.87Å; S1938-R1940 PolarHBondContact O-N 2.95Å; S1938-R1940 PolarHBondContact OG-N 2.62Å; S1938-F1941 PolarHBondContact O-N 3.24Å |
| 1939 | V | 74.2 | Confident | 70.4 | Confident | 55 Ų | 55 | 63 Ų | 63 | 33% | 0.333 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -51.6 | -27.4 | 179.3 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | V1937 F1941 L1942 R1943 A1975 | V1937-V1939 PolarHBondContact O-N 3.22Å; V1939-F1941 PolarHBondContact O-N 3.39Å; V1939-L1942 PolarHBondContact O-N 2.91Å; V1939-R1943 PolarHBondContact O-N 3.06Å; V1939-A1975 HydrophobicContact CB-CB 4.2Å; V1939-A1975 HydrophobicContact CG1-CB 3.5Å; V1939-A1975 HydrophobicContact CG2-CB 3.6Å |
| 1940 | R | 77.4 | Confident | 71.7 | Confident | 220 Ų | 220 | 56.6 Ų | 56.6 | 83% | 0.83 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -55.5 | -36.9 | 175.5 | -107.7 | -178.8 | 176.7 | 152.8 | -0.9 | 113.1 | S1938 | S1938-R1940 PolarHBondContact O-N 2.95Å; S1938-R1940 PolarHBondContact OG-N 2.62Å |
| 1941 | F | 79.7 | Confident | 73.1 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 22% | 0.219 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.5 | -27.8 | -179 | -62.9 | -74 | 0 | 0 | 0 | 112.7 | Y1919 W1921 V1937 S1938 V1939 R1943 N1944 V1947 | Y1919-F1941 WeakPolarHBondContact O-CE1 3.35Å; W1921-F1941 HydrophobicContact CB-CD1 4.27Å; W1921-F1941 HydrophobicContact CB-CD2 3.99Å; W1921-F1941 HydrophobicContact CB-CE1 4.01Å; W1921-F1941 HydrophobicContact CB-CE2 3.71Å; W1921-F1941 HydrophobicContact CB-CG 4.27Å; W1921-F1941 HydrophobicContact CB-CZ 3.72Å; W1921-F1941 AromaticContact CD1-CD2 3.82Å; W1921-F1941 AromaticContact CD1-CE2 3.43Å; W1921-F1941 VanDerWaalsContact CD1-CE2 3.43Å; W1921-F1941 AromaticContact CG-CD2 3.95Å; W1921-F1941 HydrophobicContact CG-CD2 3.95Å; W1921-F1941 AromaticContact CG-CE2 3.79Å; W1921-F1941 HydrophobicContact CG-CE2 3.79Å; W1921-F1941 HydrophobicContact CG-CZ 4.29Å; V1937-F1941 HydrophobicContact CG1-CB 4.05Å; S1938-F1941 PolarHBondContact O-N 3.24Å; V1939-F1941 PolarHBondContact O-N 3.39Å; F1941-R1943 PolarHBondContact O-N 2.8Å; F1941-N1944 PolarHBondContact O-N 2.91Å; F1941-V1947 HydrophobicContact CB-CG1 4.46Å; F1941-V1947 WeakPolarHBondContact O-CB 3.38Å |
| 1942 | L | 77.2 | Confident | 74.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.2 | -10.1 | 178.2 | -71.3 | 168.3 | 0 | 0 | 0 | 113.5 | V1937 V1939 N1944 L1948 Y1951 A1972 V1976 | V1937-L1942 HydrophobicContact CG1-CD1 4.32Å; V1937-L1942 HydrophobicContact CG1-CD2 4.36Å; V1937-L1942 HydrophobicContact CG1-CG 3.89Å; V1939-L1942 PolarHBondContact O-N 2.91Å; L1942-N1944 VanDerWaalsContact C-N 3.25Å; L1942-N1944 PolarHBondContact O-N 3.15Å; L1942-L1948 HydrophobicContact CB-CD1 4.29Å; L1942-L1948 HydrophobicContact CD2-CD1 3.88Å; L1942-Y1951 HydrophobicContact CD2-CD1 3.81Å; L1942-Y1951 HydrophobicContact CD2-CE1 4.46Å; L1942-Y1951 HydrophobicContact CD2-CG 3.82Å; L1942-A1972 HydrophobicContact CD1-CB 4.14Å; L1942-V1976 HydrophobicContact CB-CG2 3.93Å |
| 1943 | R | 74.9 | Confident | 75.3 | Confident | 125 Ų | 125 | 52.8 Ų | 52.8 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -21.2 | 169.4 | -78.2 | -171.4 | 177 | -175.7 | -0.9 | 113.2 | V1939 F1941 | V1939-R1943 PolarHBondContact O-N 3.06Å; F1941-R1943 PolarHBondContact O-N 2.8Å |
| 1944 | N | 79.7 | Confident | 75.9 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 23% | 0.225 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -82.6 | 125.7 | 177.5 | -171.6 | -56.3 | 0 | 0 | 0 | 110.2 | Y1919 F1941 L1942 D1946 V1947 L1948 | Y1919-N1944 VanDerWaalsContact CZ-ND2 3.35Å; Y1919-N1944 PolarHBondContact OH-ND2 2.9Å; F1941-N1944 PolarHBondContact O-N 2.91Å; L1942-N1944 VanDerWaalsContact C-N 3.25Å; L1942-N1944 PolarHBondContact O-N 3.15Å; N1944-D1946 VanDerWaalsContact C-N 3.32Å; N1944-D1946 PolarHBondContact O-N 3.18Å; N1944-D1946 PolarHBondContact OD1-N 3.28Å; N1944-V1947 HydrophobicContact CB-CB 4.37Å; N1944-V1947 HydrophobicContact CB-CG2 4.09Å; N1944-V1947 PolarHBondContact O-N 3.07Å; N1944-L1948 PolarHBondContact O-N 3.29Å |
| 1945 | N | 78.4 | Confident | 76.2 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.1 | -37.5 | -173.9 | -99.6 | -40.6 | 0 | 0 | 0 | 114.4 | L1948 K1949 T1999 A2000 L2003 | N1945-L1948 PolarHBondContact O-N 3.33Å; N1945-K1949 WeakPolarHBondContact O-CB 3.37Å; N1945-K1949 WeakPolarHBondContact O-CG 3.21Å; N1945-K1949 PolarHBondContact O-N 3.3Å; N1945-T1999 PolarHBondContact ND2-OG1 2.97Å; N1945-A2000 PolarHBondContact OD1-N 2.84Å; N1945-L2003 WeakPolarHBondContact OD1-CD1 3.47Å |
| 1946 | D | 76.2 | Confident | 76.1 | Confident | 94 Ų | 94 | 52.2 Ų | 52.2 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.3 | -41.7 | -178.5 | -70.6 | -22.9 | 0 | 0 | 0 | 110.8 | N1944 D1950 | N1944-D1946 VanDerWaalsContact C-N 3.32Å; N1944-D1946 PolarHBondContact O-N 3.18Å; N1944-D1946 PolarHBondContact OD1-N 3.28Å; D1946-D1950 PolarHBondContact O-N 3.4Å; D1946-D1950 VanDerWaalsContact O-N 3.12Å |
| 1947 | V | 82.8 | Confident | 76 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | P1913 S1915 A1916 Y1919 F1941 N1944 D1950 Y1951 | P1913-V1947 HydrophobicContact CB-CG1 4.09Å; P1913-V1947 HydrophobicContact CG-CG1 3.86Å; S1915-V1947 WeakPolarHBondContact OG-CA 2.98Å; A1916-V1947 HydrophobicContact CB-CG1 3.79Å; A1916-V1947 HydrophobicContact CB-CG2 4.4Å; Y1919-V1947 HydrophobicContact CD2-CG2 3.63Å; Y1919-V1947 HydrophobicContact CE2-CG2 3.78Å; F1941-V1947 HydrophobicContact CB-CG1 4.46Å; F1941-V1947 WeakPolarHBondContact O-CB 3.38Å; N1944-V1947 HydrophobicContact CB-CB 4.37Å; N1944-V1947 HydrophobicContact CB-CG2 4.09Å; N1944-V1947 PolarHBondContact O-N 3.07Å; V1947-D1950 PolarHBondContact O-N 3.47Å; V1947-Y1951 WeakPolarHBondContact O-CB 3.47Å; V1947-Y1951 PolarHBondContact O-N 3.14Å |
| 1948 | L | 84.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 179.1 | -169.3 | 64.8 | 0 | 0 | 0 | 111.8 | L1942 N1944 N1945 D1950 Y1951 V1952 M1973 V1976 A2000 L2003 | L1942-L1948 HydrophobicContact CB-CD1 4.29Å; L1942-L1948 HydrophobicContact CD2-CD1 3.88Å; N1944-L1948 PolarHBondContact O-N 3.29Å; N1945-L1948 PolarHBondContact O-N 3.33Å; L1948-D1950 PolarHBondContact O-N 3.09Å; L1948-Y1951 PolarHBondContact O-N 2.83Å; L1948-V1952 HydrophobicContact CD1-CG2 4.36Å; L1948-V1952 HydrophobicContact CG-CG2 4.25Å; L1948-V1952 WeakPolarHBondContact O-CB 3.49Å; L1948-V1952 VanDerWaalsContact O-CG2 3.23Å; L1948-V1952 WeakPolarHBondContact O-CG2 3.4Å; L1948-V1952 PolarHBondContact O-N 3.32Å; L1948-M1973 HydrophobicContact CD1-CE 4.06Å; L1948-M1973 HydrophobicContact CD1-SD 4.5Å; L1948-V1976 HydrophobicContact CD2-CG1 4.41Å; L1948-A2000 HydrophobicContact CD2-CB 3.92Å; L1948-A2000 VanDerWaalsContact CD2-O 3.27Å; L1948-A2000 WeakPolarHBondContact CD2-O 3.29Å; L1948-L2003 HydrophobicContact CD2-CB 3.72Å; L1948-L2003 HydrophobicContact CD2-CD1 4.36Å; L1948-L2003 HydrophobicContact CG-CB 4.29Å |
| 1949 | K | 75.6 | Confident | 75.5 | Confident | 120 Ų | 120 | 48.3 Ų | 48.3 | 52% | 0.522 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.5 | -81.3 | 178.7 | -179.1 | 169.3 | 0 | 112.3 | N1945 Y1951 V1952 F1953 L2003 | N1945-K1949 WeakPolarHBondContact O-CB 3.37Å; N1945-K1949 WeakPolarHBondContact O-CG 3.21Å; N1945-K1949 PolarHBondContact O-N 3.3Å; K1949-Y1951 VanDerWaalsContact C-N 3.32Å; K1949-V1952 PolarHBondContact O-N 3.46Å; K1949-F1953 VanDerWaalsContact O-CB 3.29Å; K1949-F1953 WeakPolarHBondContact O-CB 3.36Å; K1949-F1953 PolarHBondContact O-N 3.4Å; K1949-L2003 HydrophobicContact CD-CD1 4.47Å; K1949-L2003 HydrophobicContact CG-CD1 3.64Å; K1949-L2003 HydrophobicContact CG-CD2 4.09Å |
| 1950 | D | 77.7 | Confident | 75.3 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.6 | -169 | 11.7 | 0 | 0 | 0 | 110.6 | P1913 F1914 S1915 D1946 V1947 L1948 R1954 | P1913-D1950 HydrophobicContact CB-CB 4.28Å; F1914-D1950 PolarHBondContact N-OD2 2.89Å; S1915-D1950 WeakPolarHBondContact CB-OD2 3.37Å; S1915-D1950 PolarHBondContact N-OD2 2.71Å; S1915-D1950 VanDerWaalsContact N-OD2 3.17Å; S1915-D1950 WeakPolarHBondContact OG-CB 3.49Å; S1915-D1950 PolarHBondContact OG-OD2 3.08Å; D1946-D1950 PolarHBondContact O-N 3.4Å; D1946-D1950 VanDerWaalsContact O-N 3.12Å; V1947-D1950 PolarHBondContact O-N 3.47Å; L1948-D1950 PolarHBondContact O-N 3.09Å; D1950-R1954 WeakPolarHBondContact O-CD 3.39Å; D1950-R1954 VanDerWaalsContact O-CG 3.26Å; D1950-R1954 WeakPolarHBondContact O-CG 3.21Å; D1950-R1954 PolarHBondContact O-N 3.13Å; D1950-R1954 VanDerWaalsContact O-N 3.11Å; D1950-R1954 IonicContact OD1-CZ 2.75Å; D1950-R1954 IonicContact OD1-NE 2.69Å; D1950-R1954 PolarHBondContact OD1-NE 3.29Å; D1950-R1954 IonicContact OD1-NH2 3.93Å; D1950-R1954 PolarHBondContact OD1-NH2 3.1Å; D1950-R1954 IonicContact OD2-NE 3Å; D1950-R1954 IonicContact OD2-NH2 4Å |
| 1951 | Y | 83.6 | Confident | 74.8 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.2 | -50 | 175.8 | -168.7 | -109.1 | 0 | 0 | 0 | 112.7 | L1911 P1913 L1942 V1947 L1948 K1949 F1953 R1954 V1955 M1973 | L1911-Y1951 WeakPolarHBondContact O-CD2 2.93Å; L1911-Y1951 WeakPolarHBondContact O-CE2 3.11Å; P1913-Y1951 HydrophobicContact CB-CD2 4.45Å; P1913-Y1951 HydrophobicContact CG-CD2 4Å; L1942-Y1951 HydrophobicContact CD2-CD1 3.81Å; L1942-Y1951 HydrophobicContact CD2-CE1 4.46Å; L1942-Y1951 HydrophobicContact CD2-CG 3.82Å; V1947-Y1951 WeakPolarHBondContact O-CB 3.47Å; V1947-Y1951 PolarHBondContact O-N 3.14Å; L1948-Y1951 PolarHBondContact O-N 2.83Å; K1949-Y1951 VanDerWaalsContact C-N 3.32Å; Y1951-F1953 VanDerWaalsContact C-N 3.32Å; Y1951-F1953 PolarHBondContact O-N 3.03Å; Y1951-R1954 PolarHBondContact O-N 3.43Å; Y1951-R1954 VanDerWaalsContact O-N 3.13Å; Y1951-V1955 HydrophobicContact CD1-CG2 4.21Å; Y1951-V1955 HydrophobicContact CE1-CG2 3.95Å; Y1951-V1955 WeakPolarHBondContact O-CG2 3.49Å; Y1951-V1955 PolarHBondContact O-N 2.98Å; Y1951-M1973 HydrophobicContact CD1-CE 3.63Å; Y1951-M1973 HydrophobicContact CE1-CE 3.6Å |
| 1952 | V | 76.9 | Confident | 74.3 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 178.3 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L1948 K1949 R1954 V1955 F1956 C2007 | L1948-V1952 HydrophobicContact CD1-CG2 4.36Å; L1948-V1952 HydrophobicContact CG-CG2 4.25Å; L1948-V1952 WeakPolarHBondContact O-CB 3.49Å; L1948-V1952 VanDerWaalsContact O-CG2 3.23Å; L1948-V1952 WeakPolarHBondContact O-CG2 3.4Å; L1948-V1952 PolarHBondContact O-N 3.32Å; K1949-V1952 PolarHBondContact O-N 3.46Å; V1952-R1954 PolarHBondContact O-N 3.25Å; V1952-V1955 PolarHBondContact O-N 3.42Å; V1952-F1956 HydrophobicContact CG1-CD2 3.76Å; V1952-F1956 HydrophobicContact CG1-CE2 3.47Å; V1952-F1956 VanDerWaalsContact CG1-CE2 3.47Å; V1952-F1956 HydrophobicContact CG1-CZ 4.4Å; V1952-F1956 WeakPolarHBondContact O-CD2 3.23Å; V1952-F1956 PolarHBondContact O-N 2.77Å; V1952-C2007 HydrophobicContact CB-CB 4.43Å; V1952-C2007 HydrophobicContact CG1-CB 3.95Å; V1952-C2007 HydrophobicContact CG2-CB 3.72Å |
| 1953 | F | 73.2 | Confident | 74 | Confident | 83 Ų | 83 | 43.8 Ų | 43.8 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 175 | 174.2 | -98.8 | 0 | 0 | 0 | 112 | K1949 Y1951 F1956 F1957 | K1949-F1953 VanDerWaalsContact O-CB 3.29Å; K1949-F1953 WeakPolarHBondContact O-CB 3.36Å; K1949-F1953 PolarHBondContact O-N 3.4Å; Y1951-F1953 VanDerWaalsContact C-N 3.32Å; Y1951-F1953 PolarHBondContact O-N 3.03Å; F1953-F1956 PolarHBondContact O-N 3.46Å; F1953-F1957 VanDerWaalsContact O-CB 3.29Å; F1953-F1957 WeakPolarHBondContact O-CB 3.43Å; F1953-F1957 PolarHBondContact O-N 3.47Å |
| 1954 | R | 72.8 | Confident | 74 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 178.1 | -72.4 | 167.4 | -171.4 | -91.8 | -1.7 | 112.4 | H1869 C1910 D1950 Y1951 V1952 F1957 L1958 | H1869-R1954 PolarHBondContact CE1-NH2 3.39Å; H1869-R1954 PolarHBondContact ND1-NH2 2.83Å; C1910-R1954 PolarHBondContact O-NH1 3.32Å; C1910-R1954 VanDerWaalsContact O-NH1 3.1Å; D1950-R1954 WeakPolarHBondContact O-CD 3.39Å; D1950-R1954 VanDerWaalsContact O-CG 3.26Å; D1950-R1954 WeakPolarHBondContact O-CG 3.21Å; D1950-R1954 PolarHBondContact O-N 3.13Å; D1950-R1954 VanDerWaalsContact O-N 3.11Å; D1950-R1954 IonicContact OD1-CZ 2.75Å; D1950-R1954 IonicContact OD1-NE 2.69Å; D1950-R1954 PolarHBondContact OD1-NE 3.29Å; D1950-R1954 IonicContact OD1-NH2 3.93Å; D1950-R1954 PolarHBondContact OD1-NH2 3.1Å; D1950-R1954 IonicContact OD2-NE 3Å; D1950-R1954 IonicContact OD2-NH2 4Å; Y1951-R1954 PolarHBondContact O-N 3.43Å; Y1951-R1954 VanDerWaalsContact O-N 3.13Å; V1952-R1954 PolarHBondContact O-N 3.25Å; R1954-F1957 PolarHBondContact O-N 2.95Å; R1954-L1958 HydrophobicContact CB-CD1 4.41Å; R1954-L1958 VanDerWaalsContact O-CB 3.29Å; R1954-L1958 WeakPolarHBondContact O-CB 3.49Å; R1954-L1958 WeakPolarHBondContact O-CG 3.01Å; R1954-L1958 PolarHBondContact O-N 2.91Å |
| 1955 | V | 75 | Confident | 73.7 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 175.3 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | L1911 Y1951 V1952 F1957 G1959 I1969 I2011 | L1911-V1955 HydrophobicContact CD2-CG2 4.1Å; Y1951-V1955 HydrophobicContact CD1-CG2 4.21Å; Y1951-V1955 HydrophobicContact CE1-CG2 3.95Å; Y1951-V1955 WeakPolarHBondContact O-CG2 3.49Å; Y1951-V1955 PolarHBondContact O-N 2.98Å; V1952-V1955 PolarHBondContact O-N 3.42Å; V1955-F1957 PolarHBondContact O-N 2.9Å; V1955-G1959 WeakPolarHBondContact O-CA 3.23Å; V1955-G1959 PolarHBondContact O-N 3.08Å; V1955-I1969 HydrophobicContact CG1-CD1 4.39Å; V1955-I1969 HydrophobicContact CG1-CG2 4.28Å; V1955-I1969 HydrophobicContact CG2-CD1 4.43Å; V1955-I1969 HydrophobicContact CG2-CG2 4.38Å; V1955-I2011 HydrophobicContact CG1-CD1 3.93Å; V1955-I2011 HydrophobicContact CG1-CG1 3.79Å |
| 1956 | F | 65.7 | Low | 73.7 | Confident | 70 Ų | 70 | 42 Ų | 42 | 31% | 0.307 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.4 | -34.5 | 176.3 | -73.6 | -43.8 | 0 | 0 | 0 | 113.9 | V1952 F1953 G2010 L2076 | V1952-F1956 HydrophobicContact CG1-CD2 3.76Å; V1952-F1956 HydrophobicContact CG1-CE2 3.47Å; V1952-F1956 VanDerWaalsContact CG1-CE2 3.47Å; V1952-F1956 HydrophobicContact CG1-CZ 4.4Å; V1952-F1956 WeakPolarHBondContact O-CD2 3.23Å; V1952-F1956 PolarHBondContact O-N 2.77Å; F1953-F1956 PolarHBondContact O-N 3.46Å; F1956-G2010 VanDerWaalsContact CE1-CA 3.47Å; F1956-L2076 HydrophobicContact CE1-CD1 4.43Å |
| 1957 | F | 64.1 | Low | 73.8 | Confident | 38 Ų | 38 | 41.9 Ų | 41.9 | 17% | 0.167 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.9 | -39.9 | -179.2 | -176.5 | -99.7 | 0 | 0 | 0 | 113 | W1894 F1953 R1954 V1955 | W1894-F1957 HydrophobicContact CD2-CZ 4.43Å; W1894-F1957 HydrophobicContact CE3-CE1 4.05Å; W1894-F1957 AromaticContact CE3-CE2 3.75Å; W1894-F1957 HydrophobicContact CE3-CE2 3.75Å; W1894-F1957 AromaticContact CE3-CZ 3.2Å; W1894-F1957 HydrophobicContact CE3-CZ 3.2Å; W1894-F1957 HydrophobicContact CH2-CE1 4.39Å; W1894-F1957 HydrophobicContact CH2-CE2 4.34Å; W1894-F1957 HydrophobicContact CH2-CZ 4.06Å; W1894-F1957 HydrophobicContact CZ3-CD1 4.37Å; W1894-F1957 HydrophobicContact CZ3-CD2 4.5Å; W1894-F1957 AromaticContact CZ3-CE1 3.42Å; W1894-F1957 HydrophobicContact CZ3-CE1 3.42Å; W1894-F1957 VanDerWaalsContact CZ3-CE1 3.42Å; W1894-F1957 AromaticContact CZ3-CE2 3.56Å; W1894-F1957 HydrophobicContact CZ3-CE2 3.56Å; W1894-F1957 AromaticContact CZ3-CZ 2.97Å; W1894-F1957 HydrophobicContact CZ3-CZ 2.97Å; F1953-F1957 VanDerWaalsContact O-CB 3.29Å; F1953-F1957 WeakPolarHBondContact O-CB 3.43Å; F1953-F1957 PolarHBondContact O-N 3.47Å; R1954-F1957 PolarHBondContact O-N 2.95Å; V1955-F1957 PolarHBondContact O-N 2.9Å |
| 1958 | L | 67.1 | Low | 73.7 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -97.1 | -30.3 | -172.7 | -63.3 | 170.5 | 0 | 0 | 0 | 113.1 | C1901 Q1902 L1907 C1910 L1911 R1954 | C1901-L1958 HydrophobicContact CB-CD2 3.18Å; Q1902-L1958 VanDerWaalsContact CG-O 3.3Å; Q1902-L1958 WeakPolarHBondContact CG-O 3.43Å; Q1902-L1958 PolarHBondContact NE2-O 3.28Å; L1907-L1958 HydrophobicContact CD1-CB 4.01Å; L1907-L1958 HydrophobicContact CD1-CD1 4.3Å; C1910-L1958 HydrophobicContact CB-CD1 3.65Å; L1911-L1958 HydrophobicContact CD2-CD1 4.18Å; L1911-L1958 HydrophobicContact CG-CD1 4.18Å; R1954-L1958 HydrophobicContact CB-CD1 4.41Å; R1954-L1958 VanDerWaalsContact O-CB 3.29Å; R1954-L1958 WeakPolarHBondContact O-CB 3.49Å; R1954-L1958 WeakPolarHBondContact O-CG 3.01Å; R1954-L1958 PolarHBondContact O-N 2.91Å |
| 1959 | G | 68.5 | Low | 73.5 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | trans | 65.6 | -159.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1955 | V1955-G1959 WeakPolarHBondContact O-CA 3.23Å; V1955-G1959 PolarHBondContact O-N 3.08Å | ||
| 1960 | W | 71 | Confident | 73.9 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 13% | 0.129 | 20% | 0.204 | C | C | . | . | trans | -126.1 | 147 | -177.4 | 48.2 | -89.2 | 0 | 0 | 0 | 111.1 | F1966 I1969 R2115 M2118 | W1960-F1966 HydrophobicContact CD2-CB 4.39Å; W1960-F1966 HydrophobicContact CD2-CD2 4.43Å; W1960-F1966 HydrophobicContact CE3-CB 4.4Å; W1960-I1969 HydrophobicContact CB-CD1 4.45Å; W1960-R2115 HydrophobicContact CH2-CB 4.44Å; W1960-R2115 HydrophobicContact CH2-CG 3.92Å; W1960-R2115 HydrophobicContact CZ3-CG 4.07Å; W1960-M2118 HydrophobicContact CE3-SD 4.18Å; W1960-M2118 HydrophobicContact CH2-CE 4.14Å; W1960-M2118 HydrophobicContact CH2-SD 3.41Å; W1960-M2118 WeakPolarHBondContact CH2-SD 3.45Å; W1960-M2118 HydrophobicContact CZ2-CE 4.27Å; W1960-M2118 HydrophobicContact CZ2-SD 4.09Å; W1960-M2118 HydrophobicContact CZ3-SD 3.46Å; W1960-M2118 WeakPolarHBondContact CZ3-SD 3.44Å | ||
| 1961 | S | 66.5 | Low | 74.2 | Confident | 57 Ų | 57 | 45.9 Ų | 45.9 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | trans | -111.1 | -20.8 | -172.2 | 68.7 | 0 | 0 | 0 | 0 | 115.1 | L1907 Q1965 | L1907-S1961 VanDerWaalsContact CD2-OG 3.22Å; L1907-S1961 WeakPolarHBondContact CD2-OG 3.26Å; S1961-Q1965 PolarHBondContact OG-OE1 3.23Å | ||
| 1962 | S | 67.9 | Low | 74.3 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 36% | 0.357 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -144.1 | 159.6 | -179.7 | 77.5 | 0 | 0 | 0 | 0 | 111.4 | Q1964 Q1965 F1966 | S1962-Q1964 VanDerWaalsContact C-N 3.27Å; S1962-Q1964 PolarHBondContact O-N 2.85Å; S1962-Q1965 PolarHBondContact O-N 2.97Å; S1962-Q1965 PolarHBondContact OG-N 3.27Å; S1962-F1966 PolarHBondContact O-N 3.33Å |
| 1963 | K | 71.6 | Confident | 74.7 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 38% | 0.383 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.4 | -42.4 | 175.4 | 176.9 | 174.6 | 176.1 | 166.5 | 0 | 112.3 | Q1965 F1966 E1967 S2117 M2118 | K1963-Q1965 VanDerWaalsContact C-N 3.28Å; K1963-Q1965 PolarHBondContact O-N 2.92Å; K1963-F1966 PolarHBondContact O-N 3.43Å; K1963-E1967 WeakPolarHBondContact CE-OE1 3.34Å; K1963-E1967 PolarHBondContact O-N 2.85Å; K1963-S2117 PolarHBondContact NZ-O 3.16Å; K1963-M2118 HydrophobicContact CG-CG 4.31Å |
| 1964 | Q | 75 | Confident | 75.2 | Confident | 133 Ų | 133 | 43.2 Ų | 43.2 | 62% | 0.621 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.6 | -38.9 | -180 | -169.1 | 175.8 | -6.6 | 0 | 0 | 111.6 | S1962 E1967 E1968 | S1962-Q1964 VanDerWaalsContact C-N 3.27Å; S1962-Q1964 PolarHBondContact O-N 2.85Å; Q1964-E1967 PolarHBondContact O-N 2.96Å; Q1964-E1968 WeakPolarHBondContact O-CG 3.34Å; Q1964-E1968 PolarHBondContact O-N 3.41Å |
| 1965 | Q | 73.9 | Confident | 75.6 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.7 | -35.1 | -180 | -150.3 | 174.9 | 33.7 | 0 | 0 | 112.6 | D1908 L1911 S1961 S1962 K1963 E1968 I1969 | D1908-Q1965 PolarHBondContact OD1-NE2 2.93Å; D1908-Q1965 VanDerWaalsContact OD1-NE2 3.09Å; L1911-Q1965 HydrophobicContact CD1-CG 4.47Å; S1961-Q1965 PolarHBondContact OG-OE1 3.23Å; S1962-Q1965 PolarHBondContact O-N 2.97Å; S1962-Q1965 PolarHBondContact OG-N 3.27Å; K1963-Q1965 VanDerWaalsContact C-N 3.28Å; K1963-Q1965 PolarHBondContact O-N 2.92Å; Q1965-E1968 PolarHBondContact O-N 2.95Å; Q1965-I1969 WeakPolarHBondContact O-CG1 3.37Å; Q1965-I1969 PolarHBondContact O-N 3.11Å; Q1965-I1969 VanDerWaalsContact O-N 3.1Å |
| 1966 | F | 78.1 | Confident | 76.1 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 170.2 | 173.2 | -88.1 | 0 | 0 | 0 | 111.1 | W1960 S1962 K1963 E1968 I1969 W1970 I2011 M2118 | W1960-F1966 HydrophobicContact CD2-CB 4.39Å; W1960-F1966 HydrophobicContact CD2-CD2 4.43Å; W1960-F1966 HydrophobicContact CE3-CB 4.4Å; S1962-F1966 PolarHBondContact O-N 3.33Å; K1963-F1966 PolarHBondContact O-N 3.43Å; F1966-E1968 VanDerWaalsContact C-N 3.3Å; F1966-E1968 PolarHBondContact O-N 3.36Å; F1966-I1969 PolarHBondContact O-N 3.26Å; F1966-W1970 VanDerWaalsContact O-CB 3.28Å; F1966-W1970 WeakPolarHBondContact O-CB 3.17Å; F1966-W1970 PolarHBondContact O-N 3.47Å; F1966-I2011 HydrophobicContact CD2-CG2 3.85Å; F1966-I2011 HydrophobicContact CE2-CG2 3.6Å; F1966-M2118 HydrophobicContact CB-CE 4.29Å; F1966-M2118 HydrophobicContact CB-SD 4.11Å; F1966-M2118 HydrophobicContact CD1-CE 3.54Å; F1966-M2118 HydrophobicContact CD1-SD 4.2Å; F1966-M2118 HydrophobicContact CD2-CE 3.36Å; F1966-M2118 HydrophobicContact CD2-SD 4.2Å; F1966-M2118 HydrophobicContact CE1-CE 3.58Å; F1966-M2118 HydrophobicContact CE2-CE 3.37Å; F1966-M2118 HydrophobicContact CG-CE 3.44Å; F1966-M2118 VanDerWaalsContact CG-CE 3.44Å; F1966-M2118 HydrophobicContact CG-SD 3.91Å; F1966-M2118 HydrophobicContact CZ-CE 3.49Å; F1966-M2118 VanDerWaalsContact CZ-CE 3.49Å |
| 1967 | E | 78.4 | Confident | 76.9 | Confident | 92 Ų | 92 | 40.7 Ų | 40.7 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.4 | -36.4 | 178.1 | -72.1 | 175.1 | -176.8 | 0 | 0 | 112 | K1963 Q1964 M1971 | K1963-E1967 WeakPolarHBondContact CE-OE1 3.34Å; K1963-E1967 PolarHBondContact O-N 2.85Å; Q1964-E1967 PolarHBondContact O-N 2.96Å; E1967-M1971 WeakPolarHBondContact O-CB 3.46Å; E1967-M1971 VanDerWaalsContact O-CG 3.26Å; E1967-M1971 WeakPolarHBondContact O-CG 3.22Å; E1967-M1971 PolarHBondContact O-N 2.99Å |
| 1968 | E | 79.9 | Confident | 77.7 | Confident | 68 Ų | 68 | 43.6 Ų | 43.6 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.6 | -46.4 | 175 | -76 | 173.4 | -179.2 | 0 | 0 | 112.8 | N1936 Q1964 Q1965 F1966 W1970 M1971 A1972 | N1936-E1968 PolarHBondContact ND2-OE2 2.82Å; Q1964-E1968 WeakPolarHBondContact O-CG 3.34Å; Q1964-E1968 PolarHBondContact O-N 3.41Å; Q1965-E1968 PolarHBondContact O-N 2.95Å; F1966-E1968 VanDerWaalsContact C-N 3.3Å; F1966-E1968 PolarHBondContact O-N 3.36Å; E1968-W1970 VanDerWaalsContact C-N 3.34Å; E1968-M1971 PolarHBondContact O-N 3.18Å; E1968-A1972 WeakPolarHBondContact O-CB 3.48Å; E1968-A1972 PolarHBondContact O-N 3.39Å |
| 1969 | I | 81.9 | Confident | 78.2 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.5 | -63.6 | 165.8 | 0 | 0 | 0 | 110.2 | V1955 W1960 Q1965 F1966 A1972 M1973 I2011 | V1955-I1969 HydrophobicContact CG1-CD1 4.39Å; V1955-I1969 HydrophobicContact CG1-CG2 4.28Å; V1955-I1969 HydrophobicContact CG2-CD1 4.43Å; V1955-I1969 HydrophobicContact CG2-CG2 4.38Å; W1960-I1969 HydrophobicContact CB-CD1 4.45Å; Q1965-I1969 WeakPolarHBondContact O-CG1 3.37Å; Q1965-I1969 PolarHBondContact O-N 3.11Å; Q1965-I1969 VanDerWaalsContact O-N 3.1Å; F1966-I1969 PolarHBondContact O-N 3.26Å; I1969-A1972 PolarHBondContact O-N 3.03Å; I1969-M1973 WeakPolarHBondContact O-CG 2.88Å; I1969-M1973 PolarHBondContact O-N 3.24Å; I1969-I2011 HydrophobicContact CG2-CD1 3.48Å; I1969-I2011 VanDerWaalsContact CG2-CD1 3.48Å |
| 1970 | W | 82.6 | Confident | 78.6 | Confident | 33 Ų | 33 | 43.7 Ų | 43.7 | 13% | 0.125 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 175.8 | 176.7 | -105.1 | 0 | 0 | 0 | 111.9 | F1966 E1968 A1972 M1973 L1974 I2008 F2012 C2123 F2126 L2127 | F1966-W1970 VanDerWaalsContact O-CB 3.28Å; F1966-W1970 WeakPolarHBondContact O-CB 3.17Å; F1966-W1970 PolarHBondContact O-N 3.47Å; E1968-W1970 VanDerWaalsContact C-N 3.34Å; W1970-A1972 VanDerWaalsContact C-N 3.35Å; W1970-A1972 PolarHBondContact O-N 3.03Å; W1970-M1973 PolarHBondContact O-N 3.31Å; W1970-L1974 HydrophobicContact CD2-CD1 4.42Å; W1970-L1974 HydrophobicContact CG-CD1 4.42Å; W1970-L1974 HydrophobicContact CZ2-CD1 4.19Å; W1970-L1974 HydrophobicContact CZ2-CG 4.49Å; W1970-L1974 VanDerWaalsContact NE1-CD1 3.26Å; W1970-L1974 PolarHBondContact O-N 3.49Å; W1970-I2008 HydrophobicContact CZ3-CD1 4.48Å; W1970-I2008 HydrophobicContact CZ3-CG1 4.26Å; W1970-I2008 HydrophobicContact CZ3-CG2 3.76Å; W1970-F2012 HydrophobicContact CE3-CE2 4.36Å; W1970-F2012 HydrophobicContact CE3-CZ 4.47Å; W1970-F2012 HydrophobicContact CH2-CE2 4Å; W1970-F2012 HydrophobicContact CH2-CZ 4.07Å; W1970-F2012 AromaticContact CZ3-CE2 3.46Å; W1970-F2012 HydrophobicContact CZ3-CE2 3.46Å; W1970-F2012 VanDerWaalsContact CZ3-CE2 3.46Å; W1970-F2012 AromaticContact CZ3-CZ 3.74Å; W1970-F2012 HydrophobicContact CZ3-CZ 3.74Å; W1970-C2123 HydrophobicContact CH2-CB 3.77Å; W1970-C2123 HydrophobicContact CZ2-CB 3.64Å; W1970-C2123 HydrophobicContact CZ3-CB 4.31Å; W1970-F2126 HydrophobicContact CZ2-CD1 4.42Å; W1970-L2127 HydrophobicContact CH2-CD1 4.3Å; W1970-L2127 HydrophobicContact CH2-CG 4.38Å |
| 1971 | M | 85 | Confident | 78.7 | Confident | 123 Ų | 123 | 42.3 Ų | 42.3 | 61% | 0.606 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65.4 | -35.6 | 178.2 | -72.3 | -63.6 | -75.1 | 0 | 0 | 112.7 | E1967 E1968 L1974 A1975 | E1967-M1971 WeakPolarHBondContact O-CB 3.46Å; E1967-M1971 VanDerWaalsContact O-CG 3.26Å; E1967-M1971 WeakPolarHBondContact O-CG 3.22Å; E1967-M1971 PolarHBondContact O-N 2.99Å; E1968-M1971 PolarHBondContact O-N 3.18Å; M1971-L1974 PolarHBondContact O-N 2.7Å; M1971-L1974 HydrophobicContact SD-CD1 4.23Å; M1971-A1975 WeakPolarHBondContact O-CB 2.78Å; M1971-A1975 PolarHBondContact O-N 3.29Å |
| 1972 | A | 84.2 | Confident | 78.9 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 13% | 0.132 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L1942 E1968 I1969 W1970 A1975 V1976 | L1942-A1972 HydrophobicContact CD1-CB 4.14Å; E1968-A1972 WeakPolarHBondContact O-CB 3.48Å; E1968-A1972 PolarHBondContact O-N 3.39Å; I1969-A1972 PolarHBondContact O-N 3.03Å; W1970-A1972 VanDerWaalsContact C-N 3.35Å; W1970-A1972 PolarHBondContact O-N 3.03Å; A1972-A1975 PolarHBondContact O-N 3.4Å; A1972-V1976 PolarHBondContact O-N 3.13Å |
| 1973 | M | 87 | Confident | 79.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.4 | -39.1 | 176.9 | -65.8 | -60.4 | 122 | 0 | 0 | 112.3 | L1948 Y1951 I1969 W1970 A1975 V1976 L1977 A2004 C2007 I2008 | L1948-M1973 HydrophobicContact CD1-CE 4.06Å; L1948-M1973 HydrophobicContact CD1-SD 4.5Å; Y1951-M1973 HydrophobicContact CD1-CE 3.63Å; Y1951-M1973 HydrophobicContact CE1-CE 3.6Å; I1969-M1973 WeakPolarHBondContact O-CG 2.88Å; I1969-M1973 PolarHBondContact O-N 3.24Å; W1970-M1973 PolarHBondContact O-N 3.31Å; M1973-A1975 VanDerWaalsContact C-N 3.29Å; M1973-A1975 PolarHBondContact O-N 3.44Å; M1973-V1976 PolarHBondContact O-N 3.38Å; M1973-L1977 WeakPolarHBondContact O-CG 3.33Å; M1973-L1977 PolarHBondContact O-N 3.08Å; M1973-A2004 HydrophobicContact SD-CB 4.01Å; M1973-C2007 HydrophobicContact SD-CB 3.92Å; M1973-I2008 HydrophobicContact CB-CD1 3.81Å; M1973-I2008 HydrophobicContact CB-CG1 3.8Å; M1973-I2008 HydrophobicContact CG-CG1 4.18Å |
| 1974 | L | 83.1 | Confident | 78.6 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -38.9 | 173.4 | -83.6 | 174.6 | 0 | 0 | 0 | 112.6 | W1970 M1971 V1976 L1977 S1978 F2126 | W1970-L1974 HydrophobicContact CD2-CD1 4.42Å; W1970-L1974 HydrophobicContact CG-CD1 4.42Å; W1970-L1974 HydrophobicContact CZ2-CD1 4.19Å; W1970-L1974 HydrophobicContact CZ2-CG 4.49Å; W1970-L1974 VanDerWaalsContact NE1-CD1 3.26Å; W1970-L1974 PolarHBondContact O-N 3.49Å; M1971-L1974 PolarHBondContact O-N 2.7Å; M1971-L1974 HydrophobicContact SD-CD1 4.23Å; L1974-V1976 VanDerWaalsContact C-N 3.32Å; L1974-V1976 PolarHBondContact O-N 2.99Å; L1974-L1977 PolarHBondContact O-N 3.07Å; L1974-S1978 PolarHBondContact O-N 2.8Å; L1974-F2126 HydrophobicContact CD2-CD1 3.8Å; L1974-F2126 HydrophobicContact CD2-CE1 3.16Å; L1974-F2126 HydrophobicContact CD2-CZ 3.81Å; L1974-F2126 HydrophobicContact CG-CE1 4.47Å |
| 1975 | A | 81.9 | Confident | 78.1 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 22% | 0.223 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.3 | -33.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1939 M1971 A1972 M1973 S1978 | V1939-A1975 HydrophobicContact CB-CB 4.2Å; V1939-A1975 HydrophobicContact CG1-CB 3.5Å; V1939-A1975 HydrophobicContact CG2-CB 3.6Å; M1971-A1975 WeakPolarHBondContact O-CB 2.78Å; M1971-A1975 PolarHBondContact O-N 3.29Å; A1972-A1975 PolarHBondContact O-N 3.4Å; M1973-A1975 VanDerWaalsContact C-N 3.29Å; M1973-A1975 PolarHBondContact O-N 3.44Å; A1975-S1978 PolarHBondContact O-OG 3.04Å |
| 1976 | V | 84.9 | Confident | 77.7 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.1 | -45.6 | 170.6 | 178 | 0 | 0 | 0 | 0 | 110.7 | L1942 L1948 A1972 M1973 L1974 S1978 A1979 A2000 A2004 | L1942-V1976 HydrophobicContact CB-CG2 3.93Å; L1948-V1976 HydrophobicContact CD2-CG1 4.41Å; A1972-V1976 PolarHBondContact O-N 3.13Å; M1973-V1976 PolarHBondContact O-N 3.38Å; L1974-V1976 VanDerWaalsContact C-N 3.32Å; L1974-V1976 PolarHBondContact O-N 2.99Å; V1976-S1978 VanDerWaalsContact C-N 3.27Å; V1976-S1978 PolarHBondContact O-N 3.15Å; V1976-A1979 PolarHBondContact O-N 3.37Å; V1976-A2000 HydrophobicContact CG1-CB 4.42Å; V1976-A2004 HydrophobicContact CB-CB 4.29Å; V1976-A2004 HydrophobicContact CG1-CB 4.04Å |
| 1977 | L | 83.1 | Confident | 76.8 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -25.3 | 178.1 | -72.3 | 172.6 | 0 | 0 | 0 | 114 | M1973 L1974 A1979 T1980 A2004 V2005 I2008 L2130 W2134 | M1973-L1977 WeakPolarHBondContact O-CG 3.33Å; M1973-L1977 PolarHBondContact O-N 3.08Å; L1974-L1977 PolarHBondContact O-N 3.07Å; L1977-A1979 PolarHBondContact O-N 2.65Å; L1977-A1979 VanDerWaalsContact O-N 3.16Å; L1977-T1980 PolarHBondContact O-N 2.8Å; L1977-T1980 PolarHBondContact O-OG1 2.86Å; L1977-A2004 HydrophobicContact CD2-CB 4.2Å; L1977-A2004 HydrophobicContact CG-CB 4.12Å; L1977-V2005 HydrophobicContact CD2-CG2 3.94Å; L1977-I2008 HydrophobicContact CD1-CD1 3.42Å; L1977-I2008 VanDerWaalsContact CD1-CD1 3.42Å; L1977-L2130 HydrophobicContact CD1-CD2 3.96Å; L1977-W2134 HydrophobicContact CD2-CH2 3.62Å; L1977-W2134 HydrophobicContact CD2-CZ2 3.84Å |
| 1978 | S | 80.2 | Confident | 75.5 | Confident | 99 Ų | 99 | 49.9 Ų | 49.9 | 69% | 0.692 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -11.9 | 175.5 | 73.6 | 0 | 0 | 0 | 0 | 114 | L1974 A1975 V1976 | L1974-S1978 PolarHBondContact O-N 2.8Å; A1975-S1978 PolarHBondContact O-OG 3.04Å; V1976-S1978 VanDerWaalsContact C-N 3.27Å; V1976-S1978 PolarHBondContact O-N 3.15Å |
| 1979 | A | 77 | Confident | 74 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 13.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1976 L1977 P1981 | V1976-A1979 PolarHBondContact O-N 3.37Å; L1977-A1979 PolarHBondContact O-N 2.65Å; L1977-A1979 VanDerWaalsContact O-N 3.16Å; A1979-P1981 WeakPolarHBondContact O-CD 3.5Å |
| 1980 | T | 77.9 | Confident | 72.7 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | trans | -71.5 | 119.8 | -176.2 | -41.2 | 0 | 0 | 0 | 0 | 110.5 | L1977 S2001 W2134 L2146 | L1977-T1980 PolarHBondContact O-N 2.8Å; L1977-T1980 PolarHBondContact O-OG1 2.86Å; T1980-S2001 PolarHBondContact OG1-OG 2.8Å; T1980-W2134 HydrophobicContact CG2-CZ2 4.14Å; T1980-L2146 HydrophobicContact CG2-CD2 3.5Å | ||
| 1981 | P | 72.9 | Confident | 71.4 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | trans | -75.4 | 129 | 177.1 | 28.9 | -31.2 | 0 | 0 | 0 | 110.7 | A1979 E1985 I1994 R1997 V1998 | A1979-P1981 WeakPolarHBondContact O-CD 3.5Å; P1981-E1985 HydrophobicContact CB-CB 4.37Å; P1981-I1994 HydrophobicContact CG-CG2 4.08Å; P1981-R1997 HydrophobicContact CG-CB 4.35Å; P1981-V1998 HydrophobicContact CG-CG2 4.01Å | ||
| 1982 | I | 70 | Confident | 70.1 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 20% | 0.195 | 35% | 0.345 | C | S | . | . | trans | -135 | 141.8 | -177.7 | -44.2 | 148 | 0 | 0 | 0 | 109.8 | H1984 E1985 W2134 | I1982-H1984 PolarHBondContact O-N 3.49Å; I1982-E1985 PolarHBondContact O-N 3.35Å; I1982-W2134 HydrophobicContact CD1-CG 4.44Å | ||
| 1983 | G | 71.5 | Confident | 69.5 | Low | 4 Ų | 4 | 61.4 Ų | 61.4 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | 58.9 | -128.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1985 L1986 E2141 | G1983-E1985 PolarHBondContact O-N 3.16Å; G1983-L1986 VanDerWaalsContact O-CB 3.31Å; G1983-L1986 WeakPolarHBondContact O-CB 3.47Å; G1983-L1986 PolarHBondContact O-N 3.41Å; G1983-E2141 WeakPolarHBondContact CA-OE2 3.36Å |
| 1984 | H | 62.3 | Low | 68.8 | Low | 139 Ų | 139 | 62.5 Ų | 62.5 | 64% | 0.644 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -54.8 | -20.1 | -176.7 | -84.5 | -66.7 | 0 | 0 | 0 | 115.3 | I1982 L1986 C1987 | I1982-H1984 PolarHBondContact O-N 3.49Å; H1984-L1986 VanDerWaalsContact C-N 3.27Å; H1984-L1986 PolarHBondContact O-N 3.48Å; H1984-C1987 PolarHBondContact O-N 2.91Å |
| 1985 | E | 64 | Low | 68.4 | Low | 125 Ų | 125 | 64.3 Ų | 64.3 | 58% | 0.584 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -68.3 | -24.1 | 173.9 | -66.8 | -171.2 | 166.2 | 0 | 0 | 113.2 | P1981 I1982 G1983 C1987 | P1981-E1985 HydrophobicContact CB-CB 4.37Å; I1982-E1985 PolarHBondContact O-N 3.35Å; G1983-E1985 PolarHBondContact O-N 3.16Å; E1985-C1987 VanDerWaalsContact C-N 3.27Å; E1985-C1987 PolarHBondContact O-N 2.96Å |
| 1986 | L | 65.1 | Low | 68.1 | Low | 54 Ų | 54 | 67.7 Ų | 67.7 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -70.4 | -23.1 | 175.7 | -67.4 | 163 | 0 | 0 | 0 | 112.6 | G1983 H1984 I1994 E2141 P2143 | G1983-L1986 VanDerWaalsContact O-CB 3.31Å; G1983-L1986 WeakPolarHBondContact O-CB 3.47Å; G1983-L1986 PolarHBondContact O-N 3.41Å; H1984-L1986 VanDerWaalsContact C-N 3.27Å; H1984-L1986 PolarHBondContact O-N 3.48Å; L1986-I1994 HydrophobicContact CD2-CG2 3.65Å; L1986-E2141 VanDerWaalsContact CD1-O 3.23Å; L1986-E2141 WeakPolarHBondContact CD1-O 3.3Å; L1986-P2143 HydrophobicContact CD2-CG 4.43Å |
| 1987 | C | 60 | Low | 67.8 | Low | 100 Ų | 100 | 71.5 Ų | 71.5 | 68% | 0.676 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -89.5 | -14.4 | -176.6 | -58.7 | 0 | 0 | 0 | 0 | 113.9 | H1984 E1985 | H1984-C1987 PolarHBondContact O-N 2.91Å; E1985-C1987 VanDerWaalsContact C-N 3.27Å; E1985-C1987 PolarHBondContact O-N 2.96Å |
| 1988 | N | 51.8 | Low | 67.7 | Low | 143 Ų | 143 | 71.5 Ų | 71.5 | 77% | 0.765 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -120.9 | 9.1 | -164.5 | -71.4 | -21.2 | 0 | 0 | 0 | 115.2 | ||
| 1989 | G | 47.8 | Very low | 67.8 | Low | 38 Ų | 38 | 68.9 Ų | 68.9 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -132.6 | 162 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C1991 I1994 | G1989-C1991 PolarHBondContact O-N 2.72Å; G1989-I1994 VanDerWaalsContact O-CD1 3.26Å; G1989-I1994 WeakPolarHBondContact O-CD1 3.47Å |
| 1990 | D | 54.9 | Low | 68.1 | Low | 136 Ų | 136 | 68.1 Ų | 68.1 | 73% | 0.727 | 38% | 0.377 | S | S | * | . | trans | -58.3 | 122.1 | 179.1 | -65.9 | -36.7 | 0 | 0 | 0 | 111.6 | L1992 D1993 I1994 | D1990-L1992 PolarHBondContact O-N 3.49Å; D1990-D1993 PolarHBondContact O-N 3.38Å; D1990-D1993 VanDerWaalsContact O-N 3.13Å; D1990-I1994 PolarHBondContact O-N 3.34Å | ||
| 1991 | C | 55.4 | Low | 68.5 | Low | 110 Ų | 110 | 67.8 Ų | 67.8 | 74% | 0.743 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -53.1 | -31.3 | -172.6 | -70.7 | 0 | 0 | 0 | 0 | 114.6 | G1989 S1995 | G1989-C1991 PolarHBondContact O-N 2.72Å; C1991-S1995 WeakPolarHBondContact O-CB 3.47Å; C1991-S1995 PolarHBondContact O-N 2.84Å |
| 1992 | L | 57.4 | Low | 69 | Low | 129 Ų | 129 | 67.7 Ų | 67.7 | 68% | 0.675 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -69.9 | -47.2 | 180 | -86.8 | 156.7 | 0 | 0 | 0 | 112.4 | D1990 I1994 S1995 E1996 | D1990-L1992 PolarHBondContact O-N 3.49Å; L1992-I1994 VanDerWaalsContact C-N 3.34Å; L1992-I1994 PolarHBondContact O-N 3.31Å; L1992-S1995 PolarHBondContact O-N 3.43Å; L1992-E1996 PolarHBondContact O-N 2.9Å |
| 1993 | D | 70.6 | Confident | 69.6 | Low | 73 Ų | 73 | 66.8 Ų | 66.8 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.2 | -35.8 | -179.3 | -164.2 | -4.8 | 0 | 0 | 0 | 110.5 | D1990 R1997 | D1990-D1993 PolarHBondContact O-N 3.38Å; D1990-D1993 VanDerWaalsContact O-N 3.13Å; D1993-R1997 VanDerWaalsContact CG-NH2 3.26Å; D1993-R1997 WeakPolarHBondContact O-CB 3.37Å; D1993-R1997 WeakPolarHBondContact O-CG 3.33Å; D1993-R1997 PolarHBondContact O-N 3.34Å; D1993-R1997 IonicContact OD1-CZ 3.19Å; D1993-R1997 IonicContact OD1-NE 3.5Å; D1993-R1997 PolarHBondContact OD1-NE 2.9Å; D1993-R1997 IonicContact OD1-NH2 3.49Å; D1993-R1997 PolarHBondContact OD1-NH2 3.27Å; D1993-R1997 IonicContact OD2-CZ 3.94Å; D1993-R1997 IonicContact OD2-NE 3.01Å; D1993-R1997 IonicContact OD2-NH2 3.56Å; D1993-R1997 PolarHBondContact OD2-NH2 3.41Å |
| 1994 | I | 73.1 | Confident | 70.2 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62 | -47.4 | 172.2 | -62.7 | 172 | 0 | 0 | 0 | 110.7 | P1981 L1986 G1989 D1990 L1992 E1996 R1997 V1998 | P1981-I1994 HydrophobicContact CG-CG2 4.08Å; L1986-I1994 HydrophobicContact CD2-CG2 3.65Å; G1989-I1994 VanDerWaalsContact O-CD1 3.26Å; G1989-I1994 WeakPolarHBondContact O-CD1 3.47Å; D1990-I1994 PolarHBondContact O-N 3.34Å; L1992-I1994 VanDerWaalsContact C-N 3.34Å; L1992-I1994 PolarHBondContact O-N 3.31Å; I1994-E1996 PolarHBondContact O-N 3.04Å; I1994-R1997 PolarHBondContact O-N 3.03Å; I1994-V1998 HydrophobicContact CG2-CG2 4.25Å; I1994-V1998 WeakPolarHBondContact O-CB 3.02Å; I1994-V1998 VanDerWaalsContact O-CG2 3.24Å; I1994-V1998 WeakPolarHBondContact O-CG2 3.27Å; I1994-V1998 PolarHBondContact O-N 3.34Å |
| 1995 | S | 75.2 | Confident | 71.3 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | -179.9 | -177.1 | 0 | 0 | 0 | 0 | 112.7 | C1991 L1992 V1998 T1999 | C1991-S1995 WeakPolarHBondContact O-CB 3.47Å; C1991-S1995 PolarHBondContact O-N 2.84Å; L1992-S1995 PolarHBondContact O-N 3.43Å; S1995-V1998 PolarHBondContact O-N 3.44Å; S1995-T1999 PolarHBondContact O-N 3.14Å; S1995-T1999 PolarHBondContact O-OG1 2.9Å |
| 1996 | E | 75.5 | Confident | 72 | Confident | 97 Ų | 97 | 56.3 Ų | 56.3 | 45% | 0.453 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.5 | -75.6 | -166.3 | 164.1 | 0 | 0 | 112 | L1992 I1994 T1999 A2000 | L1992-E1996 PolarHBondContact O-N 2.9Å; I1994-E1996 PolarHBondContact O-N 3.04Å; E1996-T1999 WeakPolarHBondContact CA-OG1 3.23Å; E1996-T1999 PolarHBondContact O-N 2.68Å; E1996-T1999 PolarHBondContact O-OG1 3.25Å; E1996-A2000 VanDerWaalsContact O-CB 3.28Å; E1996-A2000 WeakPolarHBondContact O-CB 3.41Å; E1996-A2000 PolarHBondContact O-N 3.4Å |
| 1997 | R | 79.1 | Confident | 72.8 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 32% | 0.317 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 176.8 | -68.8 | 174.1 | -159.5 | -172.4 | 7.9 | 112.5 | P1981 D1993 I1994 S2001 | P1981-R1997 HydrophobicContact CG-CB 4.35Å; D1993-R1997 VanDerWaalsContact CG-NH2 3.26Å; D1993-R1997 WeakPolarHBondContact O-CB 3.37Å; D1993-R1997 WeakPolarHBondContact O-CG 3.33Å; D1993-R1997 PolarHBondContact O-N 3.34Å; D1993-R1997 IonicContact OD1-CZ 3.19Å; D1993-R1997 IonicContact OD1-NE 3.5Å; D1993-R1997 PolarHBondContact OD1-NE 2.9Å; D1993-R1997 IonicContact OD1-NH2 3.49Å; D1993-R1997 PolarHBondContact OD1-NH2 3.27Å; D1993-R1997 IonicContact OD2-CZ 3.94Å; D1993-R1997 IonicContact OD2-NE 3.01Å; D1993-R1997 IonicContact OD2-NH2 3.56Å; D1993-R1997 PolarHBondContact OD2-NH2 3.41Å; I1994-R1997 PolarHBondContact O-N 3.03Å; R1997-S2001 VanDerWaalsContact O-CB 3.31Å; R1997-S2001 WeakPolarHBondContact O-CB 3.43Å; R1997-S2001 PolarHBondContact O-N 2.85Å; R1997-S2001 PolarHBondContact O-OG 3.41Å |
| 1998 | V | 81.1 | Confident | 73.8 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 177.4 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | P1981 I1994 S1995 S2001 S2002 P2143 P2145 L2146 | P1981-V1998 HydrophobicContact CG-CG2 4.01Å; I1994-V1998 HydrophobicContact CG2-CG2 4.25Å; I1994-V1998 WeakPolarHBondContact O-CB 3.02Å; I1994-V1998 VanDerWaalsContact O-CG2 3.24Å; I1994-V1998 WeakPolarHBondContact O-CG2 3.27Å; I1994-V1998 PolarHBondContact O-N 3.34Å; S1995-V1998 PolarHBondContact O-N 3.44Å; V1998-S2001 WeakPolarHBondContact O-CB 3.08Å; V1998-S2001 PolarHBondContact O-N 3.24Å; V1998-S2002 PolarHBondContact O-N 3.42Å; V1998-S2002 PolarHBondContact O-OG 3.03Å; V1998-P2143 HydrophobicContact CB-CG 4.37Å; V1998-P2143 HydrophobicContact CG1-CB 3.97Å; V1998-P2143 HydrophobicContact CG1-CG 3.79Å; V1998-P2143 HydrophobicContact CG2-CB 4.2Å; V1998-P2143 HydrophobicContact CG2-CG 3.57Å; V1998-P2145 HydrophobicContact CG1-CB 4.48Å; V1998-P2145 HydrophobicContact CG1-CG 4.35Å; V1998-L2146 HydrophobicContact CG1-CB 4.27Å |
| 1999 | T | 81.7 | Confident | 75 | Confident | 44 Ų | 44 | 42.9 Ų | 42.9 | 27% | 0.27 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.7 | -39.6 | 179.7 | 44 | 0 | 0 | 0 | 0 | 112.6 | N1945 S1995 E1996 S2002 L2003 | N1945-T1999 PolarHBondContact ND2-OG1 2.97Å; S1995-T1999 PolarHBondContact O-N 3.14Å; S1995-T1999 PolarHBondContact O-OG1 2.9Å; E1996-T1999 WeakPolarHBondContact CA-OG1 3.23Å; E1996-T1999 PolarHBondContact O-N 2.68Å; E1996-T1999 PolarHBondContact O-OG1 3.25Å; T1999-S2002 WeakPolarHBondContact CA-OG 3.23Å; T1999-S2002 WeakPolarHBondContact O-CB 3.01Å; T1999-S2002 PolarHBondContact O-N 2.63Å; T1999-L2003 PolarHBondContact O-N 3.43Å |
| 2000 | A | 82.4 | Confident | 76.1 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1945 L1948 V1976 E1996 S2002 L2003 A2004 | N1945-A2000 PolarHBondContact OD1-N 2.84Å; L1948-A2000 HydrophobicContact CD2-CB 3.92Å; L1948-A2000 VanDerWaalsContact CD2-O 3.27Å; L1948-A2000 WeakPolarHBondContact CD2-O 3.29Å; V1976-A2000 HydrophobicContact CG1-CB 4.42Å; E1996-A2000 VanDerWaalsContact O-CB 3.28Å; E1996-A2000 WeakPolarHBondContact O-CB 3.41Å; E1996-A2000 PolarHBondContact O-N 3.4Å; A2000-S2002 VanDerWaalsContact C-N 3.31Å; A2000-S2002 PolarHBondContact O-N 2.75Å; A2000-L2003 WeakPolarHBondContact O-CB 3.39Å; A2000-L2003 PolarHBondContact O-N 3.14Å; A2000-L2003 VanDerWaalsContact O-N 3.16Å; A2000-A2004 PolarHBondContact O-N 3.23Å |
| 2001 | S | 86.5 | Confident | 77.2 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | T1980 R1997 V1998 L2003 A2004 V2005 | T1980-S2001 PolarHBondContact OG1-OG 2.8Å; R1997-S2001 VanDerWaalsContact O-CB 3.31Å; R1997-S2001 WeakPolarHBondContact O-CB 3.43Å; R1997-S2001 PolarHBondContact O-N 2.85Å; R1997-S2001 PolarHBondContact O-OG 3.41Å; V1998-S2001 WeakPolarHBondContact O-CB 3.08Å; V1998-S2001 PolarHBondContact O-N 3.24Å; S2001-L2003 PolarHBondContact O-N 3Å; S2001-A2004 PolarHBondContact O-N 3.4Å; S2001-V2005 WeakPolarHBondContact O-CG2 3.27Å; S2001-V2005 PolarHBondContact O-N 2.66Å; S2001-V2005 VanDerWaalsContact O-N 3.08Å |
| 2002 | S | 84.4 | Confident | 78 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 175 | -25.3 | 0 | 0 | 0 | 0 | 110.2 | K643 V1998 T1999 A2000 A2004 V2005 Q2006 | K643-S2002 PolarHBondContact NZ-O 3.08Å; V1998-S2002 PolarHBondContact O-N 3.42Å; V1998-S2002 PolarHBondContact O-OG 3.03Å; T1999-S2002 WeakPolarHBondContact CA-OG 3.23Å; T1999-S2002 WeakPolarHBondContact O-CB 3.01Å; T1999-S2002 PolarHBondContact O-N 2.63Å; A2000-S2002 VanDerWaalsContact C-N 3.31Å; A2000-S2002 PolarHBondContact O-N 2.75Å; S2002-A2004 VanDerWaalsContact C-N 3.32Å; S2002-A2004 PolarHBondContact O-N 3.38Å; S2002-V2005 PolarHBondContact O-N 3.49Å; S2002-Q2006 PolarHBondContact O-N 3.31Å; S2002-Q2006 VanDerWaalsContact O-N 3.15Å |
| 2003 | L | 81.3 | Confident | 78.3 | Confident | 19 Ų | 19 | 24.9 Ų | 24.9 | 10% | 0.099 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 179.1 | -82.9 | 162.9 | 0 | 0 | 0 | 112.5 | N1945 L1948 K1949 T1999 A2000 S2001 Q2006 C2007 | N1945-L2003 WeakPolarHBondContact OD1-CD1 3.47Å; L1948-L2003 HydrophobicContact CD2-CB 3.72Å; L1948-L2003 HydrophobicContact CD2-CD1 4.36Å; L1948-L2003 HydrophobicContact CG-CB 4.29Å; K1949-L2003 HydrophobicContact CD-CD1 4.47Å; K1949-L2003 HydrophobicContact CG-CD1 3.64Å; K1949-L2003 HydrophobicContact CG-CD2 4.09Å; T1999-L2003 PolarHBondContact O-N 3.43Å; A2000-L2003 WeakPolarHBondContact O-CB 3.39Å; A2000-L2003 PolarHBondContact O-N 3.14Å; A2000-L2003 VanDerWaalsContact O-N 3.16Å; S2001-L2003 PolarHBondContact O-N 3Å; L2003-Q2006 PolarHBondContact O-N 3.27Å; L2003-C2007 PolarHBondContact O-N 3.49Å |
| 2004 | A | 85.4 | Confident | 78 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | M1973 V1976 L1977 A2000 S2001 S2002 Q2006 C2007 I2008 | M1973-A2004 HydrophobicContact SD-CB 4.01Å; V1976-A2004 HydrophobicContact CB-CB 4.29Å; V1976-A2004 HydrophobicContact CG1-CB 4.04Å; L1977-A2004 HydrophobicContact CD2-CB 4.2Å; L1977-A2004 HydrophobicContact CG-CB 4.12Å; A2000-A2004 PolarHBondContact O-N 3.23Å; S2001-A2004 PolarHBondContact O-N 3.4Å; S2002-A2004 VanDerWaalsContact C-N 3.32Å; S2002-A2004 PolarHBondContact O-N 3.38Å; A2004-Q2006 VanDerWaalsContact C-N 3.31Å; A2004-Q2006 PolarHBondContact O-N 2.99Å; A2004-C2007 PolarHBondContact O-N 3.34Å; A2004-I2008 WeakPolarHBondContact O-CG1 3.17Å; A2004-I2008 PolarHBondContact O-N 3.31Å |
| 2005 | V | 84.7 | Confident | 77.5 | Confident | 11 Ų | 11 | 23.8 Ų | 23.8 | 7% | 0.067 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.6 | -43.7 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | L1977 S2001 S2002 I2008 C2009 W2134 L2146 T2150 A2153 | L1977-V2005 HydrophobicContact CD2-CG2 3.94Å; S2001-V2005 WeakPolarHBondContact O-CG2 3.27Å; S2001-V2005 PolarHBondContact O-N 2.66Å; S2001-V2005 VanDerWaalsContact O-N 3.08Å; S2002-V2005 PolarHBondContact O-N 3.49Å; V2005-I2008 PolarHBondContact O-N 2.95Å; V2005-C2009 WeakPolarHBondContact O-CB 3.45Å; V2005-C2009 PolarHBondContact O-N 2.97Å; V2005-W2134 HydrophobicContact CG2-CH2 3.89Å; V2005-W2134 HydrophobicContact CG2-CZ3 4.16Å; V2005-L2146 HydrophobicContact CG2-CD1 4.37Å; V2005-T2150 HydrophobicContact CG1-CG2 4.33Å; V2005-T2150 HydrophobicContact CG2-CG2 4.21Å; V2005-A2153 HydrophobicContact CG1-CB 3.65Å |
| 2006 | Q | 79 | Confident | 76.5 | Confident | 37 Ų | 37 | 23 Ų | 23 | 17% | 0.173 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -41.8 | 176.9 | -87.5 | -173.6 | -22.3 | 0 | 0 | 113.3 | G642 S2002 L2003 A2004 I2008 C2009 G2010 | G642-Q2006 PolarHBondContact O-NE2 3.21Å; S2002-Q2006 PolarHBondContact O-N 3.31Å; S2002-Q2006 VanDerWaalsContact O-N 3.15Å; L2003-Q2006 PolarHBondContact O-N 3.27Å; A2004-Q2006 VanDerWaalsContact C-N 3.31Å; A2004-Q2006 PolarHBondContact O-N 2.99Å; Q2006-I2008 VanDerWaalsContact C-N 3.34Å; Q2006-C2009 PolarHBondContact O-N 3.38Å; Q2006-G2010 PolarHBondContact O-N 3.16Å |
| 2007 | C | 81.9 | Confident | 75 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -48.3 | 177.5 | -164.3 | 0 | 0 | 0 | 0 | 110.1 | V1952 M1973 L2003 A2004 C2009 G2010 I2011 | V1952-C2007 HydrophobicContact CB-CB 4.43Å; V1952-C2007 HydrophobicContact CG1-CB 3.95Å; V1952-C2007 HydrophobicContact CG2-CB 3.72Å; M1973-C2007 HydrophobicContact SD-CB 3.92Å; L2003-C2007 PolarHBondContact O-N 3.49Å; A2004-C2007 PolarHBondContact O-N 3.34Å; C2007-C2009 PolarHBondContact O-N 2.99Å; C2007-G2010 PolarHBondContact O-N 2.92Å; C2007-I2011 WeakPolarHBondContact O-CD1 3.44Å; C2007-I2011 WeakPolarHBondContact O-CG1 3.19Å; C2007-I2011 PolarHBondContact O-N 2.92Å |
| 2008 | I | 81.5 | Confident | 73.4 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.6 | -51.7 | 174.9 | -73.6 | 164.5 | 0 | 0 | 0 | 111.4 | W1970 M1973 L1977 A2004 V2005 Q2006 G2010 I2011 F2012 L2127 | W1970-I2008 HydrophobicContact CZ3-CD1 4.48Å; W1970-I2008 HydrophobicContact CZ3-CG1 4.26Å; W1970-I2008 HydrophobicContact CZ3-CG2 3.76Å; M1973-I2008 HydrophobicContact CB-CD1 3.81Å; M1973-I2008 HydrophobicContact CB-CG1 3.8Å; M1973-I2008 HydrophobicContact CG-CG1 4.18Å; L1977-I2008 HydrophobicContact CD1-CD1 3.42Å; L1977-I2008 VanDerWaalsContact CD1-CD1 3.42Å; A2004-I2008 WeakPolarHBondContact O-CG1 3.17Å; A2004-I2008 PolarHBondContact O-N 3.31Å; V2005-I2008 PolarHBondContact O-N 2.95Å; Q2006-I2008 VanDerWaalsContact C-N 3.34Å; I2008-G2010 VanDerWaalsContact C-N 3.33Å; I2008-G2010 PolarHBondContact O-N 3.35Å; I2008-I2011 PolarHBondContact O-N 3.37Å; I2008-F2012 HydrophobicContact CG2-CD2 3.68Å; I2008-F2012 HydrophobicContact CG2-CE2 3.63Å; I2008-F2012 VanDerWaalsContact O-CD2 3.29Å; I2008-F2012 WeakPolarHBondContact O-CD2 3.45Å; I2008-F2012 PolarHBondContact O-N 3.41Å; I2008-L2127 HydrophobicContact CG2-CD1 3.9Å |
| 2009 | C | 77 | Confident | 71.4 | Confident | 8 Ų | 8 | 28.9 Ų | 28.9 | 5% | 0.054 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | -178.8 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | V2005 Q2006 C2007 F2012 L2013 A2153 | V2005-C2009 WeakPolarHBondContact O-CB 3.45Å; V2005-C2009 PolarHBondContact O-N 2.97Å; Q2006-C2009 PolarHBondContact O-N 3.38Å; C2007-C2009 PolarHBondContact O-N 2.99Å; C2009-F2012 PolarHBondContact O-N 3.48Å; C2009-L2013 WeakPolarHBondContact O-CG 3.15Å; C2009-L2013 PolarHBondContact O-N 3.35Å; C2009-A2153 HydrophobicContact CB-CB 4.02Å |
| 2010 | G | 70.9 | Confident | 69.1 | Low | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.5 | -29.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1956 Q2006 C2007 I2008 S2014 | F1956-G2010 VanDerWaalsContact CE1-CA 3.47Å; Q2006-G2010 PolarHBondContact O-N 3.16Å; C2007-G2010 PolarHBondContact O-N 2.92Å; I2008-G2010 VanDerWaalsContact C-N 3.33Å; I2008-G2010 PolarHBondContact O-N 3.35Å; G2010-S2014 WeakPolarHBondContact O-CB 3.21Å; G2010-S2014 PolarHBondContact O-N 3.02Å; G2010-S2014 PolarHBondContact O-OG 3.43Å |
| 2011 | I | 76.1 | Confident | 66.8 | Low | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -46 | 172 | -62.8 | 157.3 | 0 | 0 | 0 | 109.3 | V1955 F1966 I1969 C2007 I2008 L2013 S2014 S2015 | V1955-I2011 HydrophobicContact CG1-CD1 3.93Å; V1955-I2011 HydrophobicContact CG1-CG1 3.79Å; F1966-I2011 HydrophobicContact CD2-CG2 3.85Å; F1966-I2011 HydrophobicContact CE2-CG2 3.6Å; I1969-I2011 HydrophobicContact CG2-CD1 3.48Å; I1969-I2011 VanDerWaalsContact CG2-CD1 3.48Å; C2007-I2011 WeakPolarHBondContact O-CD1 3.44Å; C2007-I2011 WeakPolarHBondContact O-CG1 3.19Å; C2007-I2011 PolarHBondContact O-N 2.92Å; I2008-I2011 PolarHBondContact O-N 3.37Å; I2011-L2013 PolarHBondContact O-N 2.95Å; I2011-S2014 WeakPolarHBondContact CA-OG 3.5Å; I2011-S2014 WeakPolarHBondContact O-CB 3.26Å; I2011-S2014 PolarHBondContact O-N 3.44Å; I2011-S2014 VanDerWaalsContact O-N 3.12Å; I2011-S2014 PolarHBondContact O-OG 2.96Å; I2011-S2015 PolarHBondContact O-N 3.47Å; I2011-S2015 VanDerWaalsContact O-N 3.16Å; I2011-S2015 PolarHBondContact O-OG 2.85Å |
| 2012 | F | 72.7 | Confident | 64 | Low | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 177.5 | -87.7 | -64.8 | 0 | 0 | 0 | 112.8 | W1970 I2008 C2009 S2014 S2015 M2120 C2123 L2124 L2127 L2157 L2160 | W1970-F2012 HydrophobicContact CE3-CE2 4.36Å; W1970-F2012 HydrophobicContact CE3-CZ 4.47Å; W1970-F2012 HydrophobicContact CH2-CE2 4Å; W1970-F2012 HydrophobicContact CH2-CZ 4.07Å; W1970-F2012 AromaticContact CZ3-CE2 3.46Å; W1970-F2012 HydrophobicContact CZ3-CE2 3.46Å; W1970-F2012 VanDerWaalsContact CZ3-CE2 3.46Å; W1970-F2012 AromaticContact CZ3-CZ 3.74Å; W1970-F2012 HydrophobicContact CZ3-CZ 3.74Å; I2008-F2012 HydrophobicContact CG2-CD2 3.68Å; I2008-F2012 HydrophobicContact CG2-CE2 3.63Å; I2008-F2012 VanDerWaalsContact O-CD2 3.29Å; I2008-F2012 WeakPolarHBondContact O-CD2 3.45Å; I2008-F2012 PolarHBondContact O-N 3.41Å; C2009-F2012 PolarHBondContact O-N 3.48Å; F2012-S2014 VanDerWaalsContact C-N 3.29Å; F2012-S2014 PolarHBondContact O-N 3.35Å; F2012-S2015 VanDerWaalsContact C-OG 3.29Å; F2012-S2015 VanDerWaalsContact CA-OG 3.3Å; F2012-S2015 WeakPolarHBondContact CA-OG 3.23Å; F2012-S2015 WeakPolarHBondContact O-CB 3.35Å; F2012-S2015 PolarHBondContact O-N 2.72Å; F2012-S2015 PolarHBondContact O-OG 3.24Å; F2012-M2120 HydrophobicContact CD1-CG 4.4Å; F2012-M2120 HydrophobicContact CD1-SD 3.63Å; F2012-M2120 HydrophobicContact CE1-CB 4.32Å; F2012-M2120 HydrophobicContact CE1-CG 4.16Å; F2012-M2120 HydrophobicContact CE1-SD 3.99Å; F2012-C2123 HydrophobicContact CE1-CB 4.12Å; F2012-C2123 HydrophobicContact CZ-CB 3.56Å; F2012-L2124 HydrophobicContact CE1-CG 4.48Å; F2012-L2127 HydrophobicContact CD2-CD1 4.19Å; F2012-L2127 HydrophobicContact CE2-CD1 3.53Å; F2012-L2127 HydrophobicContact CZ-CD1 4.3Å; F2012-L2157 HydrophobicContact CB-CD2 3.59Å; F2012-L2157 HydrophobicContact CD2-CD1 4.48Å; F2012-L2157 HydrophobicContact CD2-CD2 4.35Å; F2012-L2157 HydrophobicContact CG-CD2 4.15Å; F2012-L2160 HydrophobicContact CB-CD1 4.45Å |
| 2013 | L | 64.6 | Low | 61.4 | Low | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58 | -45.3 | 174.8 | -73.5 | 163.6 | 0 | 0 | 0 | 110 | C2009 I2011 S2015 V2016 V2075 A2079 | C2009-L2013 WeakPolarHBondContact O-CG 3.15Å; C2009-L2013 PolarHBondContact O-N 3.35Å; I2011-L2013 PolarHBondContact O-N 2.95Å; L2013-S2015 PolarHBondContact O-N 2.73Å; L2013-S2015 VanDerWaalsContact O-N 3.14Å; L2013-V2016 PolarHBondContact O-N 3.39Å; L2013-V2016 VanDerWaalsContact O-N 3.13Å; L2013-V2075 HydrophobicContact CB-CG1 3.57Å; L2013-V2075 WeakPolarHBondContact O-CG1 3.23Å; L2013-A2079 HydrophobicContact CD1-CB 4.25Å; L2013-A2079 HydrophobicContact CD2-CB 3.98Å |
| 2014 | S | 62.9 | Low | 59 | Low | 54 Ų | 54 | 56.4 Ų | 56.4 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -19.1 | 179.5 | 78.9 | 0 | 0 | 0 | 0 | 115.2 | G2010 I2011 F2012 V2016 | G2010-S2014 WeakPolarHBondContact O-CB 3.21Å; G2010-S2014 PolarHBondContact O-N 3.02Å; G2010-S2014 PolarHBondContact O-OG 3.43Å; I2011-S2014 WeakPolarHBondContact CA-OG 3.5Å; I2011-S2014 WeakPolarHBondContact O-CB 3.26Å; I2011-S2014 PolarHBondContact O-N 3.44Å; I2011-S2014 VanDerWaalsContact O-N 3.12Å; I2011-S2014 PolarHBondContact O-OG 2.96Å; F2012-S2014 VanDerWaalsContact C-N 3.29Å; F2012-S2014 PolarHBondContact O-N 3.35Å; S2014-V2016 VanDerWaalsContact C-N 3.35Å |
| 2015 | S | 63.5 | Low | 56.3 | Low | 20 Ų | 20 | 61.8 Ų | 61.8 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -12.4 | 176.8 | 3 | 0 | 0 | 0 | 0 | 114.4 | I2011 F2012 L2013 | I2011-S2015 PolarHBondContact O-N 3.47Å; I2011-S2015 VanDerWaalsContact O-N 3.16Å; I2011-S2015 PolarHBondContact O-OG 2.85Å; F2012-S2015 VanDerWaalsContact C-OG 3.29Å; F2012-S2015 VanDerWaalsContact CA-OG 3.3Å; F2012-S2015 WeakPolarHBondContact CA-OG 3.23Å; F2012-S2015 WeakPolarHBondContact O-CB 3.35Å; F2012-S2015 PolarHBondContact O-N 2.72Å; F2012-S2015 PolarHBondContact O-OG 3.24Å; L2013-S2015 PolarHBondContact O-N 2.73Å; L2013-S2015 VanDerWaalsContact O-N 3.14Å |
| 2016 | V | 53.9 | Low | 53.6 | Low | 52 Ų | 52 | 67.3 Ų | 67.3 | 32% | 0.315 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -90 | 107.8 | -176.7 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | L2013 S2014 F2018 L2160 | L2013-V2016 PolarHBondContact O-N 3.39Å; L2013-V2016 VanDerWaalsContact O-N 3.13Å; S2014-V2016 VanDerWaalsContact C-N 3.35Å; V2016-F2018 HydrophobicContact CG1-CD2 4.41Å; V2016-F2018 HydrophobicContact CG1-CE2 4.14Å; V2016-F2018 PolarHBondContact O-N 3.16Å; V2016-L2160 HydrophobicContact CG2-CD1 4.44Å; V2016-L2160 HydrophobicContact CG2-CD2 3.97Å |
| 2017 | D | 44 | Very low | 51.3 | Low | 86 Ų | 86 | 69.4 Ų | 69.4 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | trans | -76.3 | 103.4 | 178.1 | -113.1 | -45.6 | 0 | 0 | 0 | 110.5 | S2019 R2115 | D2017-S2019 PolarHBondContact O-N 3Å; D2017-S2019 VanDerWaalsContact O-N 3.15Å; D2017-S2019 PolarHBondContact OD1-OG 2.67Å; D2017-R2115 IonicContact OD2-NH1 2.67Å; D2017-R2115 PolarHBondContact OD2-NH1 2.58Å | ||
| 2018 | F | 46.4 | Very low | 49 | Very low | 133 Ų | 133 | 71.6 Ų | 71.6 | 58% | 0.583 | 38% | 0.38 | S | S | * | . | trans | -74.9 | 12.9 | 171 | -83.6 | -85.4 | 0 | 0 | 0 | 113.7 | V2016 Y2020 | V2016-F2018 HydrophobicContact CG1-CD2 4.41Å; V2016-F2018 HydrophobicContact CG1-CE2 4.14Å; V2016-F2018 PolarHBondContact O-N 3.16Å; F2018-Y2020 PolarHBondContact O-N 3.22Å | ||
| 2019 | S | 38.9 | Very low | 46.5 | Very low | 93 Ų | 93 | 78.1 Ų | 78.1 | 65% | 0.65 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 6.1 | -173.3 | -56.9 | 0 | 0 | 0 | 0 | 115.8 | D2017 | D2017-S2019 PolarHBondContact O-N 3Å; D2017-S2019 VanDerWaalsContact O-N 3.15Å; D2017-S2019 PolarHBondContact OD1-OG 2.67Å |
| 2020 | Y | 34 | Very low | 44.4 | Very low | 194 Ų | 194 | 85.6 Ų | 85.6 | 76% | 0.761 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 24.8 | 178.3 | -97.5 | -84.9 | 0 | 0 | 0 | 114.5 | F2018 K2022 S2023 | F2018-Y2020 PolarHBondContact O-N 3.22Å; Y2020-K2022 PolarHBondContact O-N 3.17Å; Y2020-S2023 PolarHBondContact O-N 3.18Å |
| 2021 | E | 32.2 | Very low | 42.7 | Very low | 128 Ų | 128 | 93.5 Ų | 93.5 | 60% | 0.598 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -58.8 | -15.8 | 172.1 | -86.3 | -174.5 | 159.2 | 0 | 0 | 114.1 | S2023 | E2021-S2023 PolarHBondContact O-N 2.68Š|
| 2022 | K | 29.3 | Very low | 40.8 | Very low | 185 Ų | 185 | 94.9 Ų | 94.9 | 80% | 0.804 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -68.3 | -14.4 | 176.3 | -74.7 | -169.8 | 176.5 | -173.4 | 0 | 114.6 | Y2020 | Y2020-K2022 PolarHBondContact O-N 3.17Š|
| 2023 | S | 28.7 | Very low | 39.7 | Very low | 51 Ų | 51 | 98 Ų | 98 | 36% | 0.357 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -97.2 | -13.3 | 180 | 86.5 | 0 | 0 | 0 | 0 | 115.3 | Y2020 E2021 V2025 Q2026 L2027 | Y2020-S2023 PolarHBondContact O-N 3.18Å; E2021-S2023 PolarHBondContact O-N 2.68Å; S2023-V2025 VanDerWaalsContact C-N 3.32Å; S2023-Q2026 PolarHBondContact O-N 2.78Å; S2023-L2027 PolarHBondContact O-N 3.39Å |
| 2024 | V | 30.7 | Very low | 39 | Very low | 92 Ų | 92 | 103.8 Ų | 103.8 | 56% | 0.558 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -30.3 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | ||
| 2025 | V | 30.1 | Very low | 38.7 | Very low | 112 Ų | 112 | 103.8 Ų | 103.8 | 68% | 0.679 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -27.3 | 173.5 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | S2023 | S2023-V2025 VanDerWaalsContact C-N 3.32Š|
| 2026 | Q | 28.1 | Very low | 38.3 | Very low | 127 Ų | 127 | 104.2 Ų | 104.2 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -84.3 | -13 | 178.7 | -71.3 | -174.1 | -29.6 | 0 | 0 | 114 | S2023 A2028 | S2023-Q2026 PolarHBondContact O-N 2.78Å; Q2026-A2028 VanDerWaalsContact C-N 3.33Å |
| 2027 | L | 30.5 | Very low | 38.4 | Very low | 81 Ų | 81 | 105.3 Ų | 105.3 | 42% | 0.424 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -86.3 | -2.9 | 175 | -89.4 | 156.1 | 0 | 0 | 0 | 113.9 | S2023 R2296 | S2023-L2027 PolarHBondContact O-N 3.39Å; L2027-R2296 PolarHBondContact O-NH2 3.11Å |
| 2028 | A | 32.7 | Very low | 39.1 | Very low | 47 Ų | 47 | 103.1 Ų | 103.1 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -89.3 | -0.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q2026 | Q2026-A2028 VanDerWaalsContact C-N 3.33Š|
| 2029 | E | 29.6 | Very low | 39.9 | Very low | 143 Ų | 143 | 96.8 Ų | 96.8 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | trans | -86 | -0.8 | -172.5 | -71.8 | -175.8 | 161.3 | 0 | 0 | 114.6 | ||||
| 2030 | H | 32 | Very low | 40.9 | Very low | 164 Ų | 164 | 96.2 Ų | 96.2 | 76% | 0.759 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -95.9 | -10.2 | -162.2 | -111.3 | -61.9 | 0 | 0 | 0 | 119.4 | ||
| 2031 | D | 34.9 | Very low | 42.2 | Very low | 170 Ų | 170 | 89.5 Ų | 89.5 | 91% | 0.909 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -167.1 | 57.3 | 172.2 | -83 | -43.3 | 0 | 0 | 0 | 113.5 | ||
| 2032 | S | 38 | Very low | 43.8 | Very low | 38 Ų | 38 | 83.4 Ų | 83.4 | 27% | 0.266 | 45% | 0.446 | S | S | . | . | trans | -107.2 | 138.6 | 174 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | E2036 | S2032-E2036 WeakPolarHBondContact CB-OE2 2.99Š| ||
| 2033 | P | 48.1 | Very low | 45.3 | Very low | 68 Ų | 68 | 75.8 Ų | 75.8 | 44% | 0.442 | 41% | 0.413 | S | S | . | . | trans | -63.7 | 145 | 179.3 | 27 | -35.2 | 0 | 0 | 0 | 112.8 | W2035 E2036 | P2033-W2035 HydrophobicContact CG-CZ2 3.66Å; P2033-W2035 VanDerWaalsContact CG-NE1 3.26Å; P2033-W2035 PolarHBondContact O-N 3.22Å; P2033-E2036 WeakPolarHBondContact O-CB 3.29Å; P2033-E2036 PolarHBondContact O-N 2.93Å | ||
| 2034 | D | 49.3 | Very low | 46.7 | Very low | 142 Ų | 142 | 75.9 Ų | 75.9 | 76% | 0.759 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -46.9 | -32.3 | -170.9 | -71.4 | -26.9 | 0 | 0 | 0 | 115.8 | E2036 T2037 S2038 | D2034-E2036 VanDerWaalsContact C-N 3.28Å; D2034-E2036 PolarHBondContact O-N 3.44Å; D2034-T2037 WeakPolarHBondContact CA-OG1 3.15Å; D2034-T2037 PolarHBondContact O-OG1 3.49Å; D2034-S2038 PolarHBondContact O-N 2.99Å |
| 2035 | W | 57.9 | Low | 48 | Very low | 54 Ų | 54 | 73.4 Ų | 73.4 | 21% | 0.205 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.5 | -24.9 | 179.6 | 66.6 | -97.3 | 0 | 0 | 0 | 112.8 | P2033 C2039 H2359 A2404 | P2033-W2035 HydrophobicContact CG-CZ2 3.66Å; P2033-W2035 VanDerWaalsContact CG-NE1 3.26Å; P2033-W2035 PolarHBondContact O-N 3.22Å; W2035-C2039 WeakPolarHBondContact O-CB 3.49Å; W2035-C2039 PolarHBondContact O-N 3.17Å; W2035-C2039 VanDerWaalsContact O-N 3.13Å; W2035-H2359 AromaticContact CH2-CD2 3.69Å; W2035-H2359 AromaticContact CH2-CE1 2.74Å; W2035-H2359 WeakPolarHBondContact CH2-CE1 3.31Å; W2035-H2359 AromaticContact CH2-CG 3.92Å; W2035-H2359 AromaticContact CH2-ND1 3.33Å; W2035-H2359 VanDerWaalsContact CH2-ND1 3.33Å; W2035-H2359 WeakPolarHBondContact CH2-ND1 3.34Å; W2035-H2359 AromaticContact CH2-NE2 2.98Å; W2035-H2359 WeakPolarHBondContact CH2-NE2 3.03Å; W2035-H2359 AromaticContact CZ2-CE1 3.27Å; W2035-H2359 WeakPolarHBondContact CZ2-CE1 3.43Å; W2035-H2359 AromaticContact CZ2-ND1 3.41Å; W2035-H2359 WeakPolarHBondContact CZ2-ND1 3.28Å; W2035-H2359 AromaticContact CZ2-NE2 3.9Å; W2035-H2359 AromaticContact CZ3-CE1 3.16Å; W2035-H2359 WeakPolarHBondContact CZ3-CE1 3.5Å; W2035-H2359 AromaticContact CZ3-NE2 3.36Å; W2035-H2359 WeakPolarHBondContact CZ3-NE2 3.42Å; W2035-A2404 HydrophobicContact CG-CB 4.43Å |
| 2036 | E | 54.2 | Low | 49.6 | Very low | 28 Ų | 28 | 68 Ų | 68 | 13% | 0.131 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -76.5 | -36.2 | -178 | -153.7 | -179.8 | 168.6 | 0 | 0 | 111.7 | S2032 P2033 D2034 C2039 R2040 R2355 | S2032-E2036 WeakPolarHBondContact CB-OE2 2.99Å; P2033-E2036 WeakPolarHBondContact O-CB 3.29Å; P2033-E2036 PolarHBondContact O-N 2.93Å; D2034-E2036 VanDerWaalsContact C-N 3.28Å; D2034-E2036 PolarHBondContact O-N 3.44Å; E2036-C2039 PolarHBondContact O-N 3.24Å; E2036-R2040 WeakPolarHBondContact O-CG 3.32Å; E2036-R2040 PolarHBondContact O-N 3.38Å; E2036-R2040 IonicContact OE1-CZ 3.86Å; E2036-R2040 IonicContact OE1-NE 3.9Å; E2036-R2040 IonicContact OE1-NH2 2.84Å; E2036-R2040 PolarHBondContact OE1-NH2 3.37Å; E2036-R2355 VanDerWaalsContact CG-NH2 3.27Å; E2036-R2355 PolarHBondContact O-NH2 3.41Å |
| 2037 | T | 56 | Low | 51 | Low | 76 Ų | 76 | 64.3 Ų | 64.3 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 170.5 | 21.8 | 0 | 0 | 0 | 0 | 112.2 | D2034 C2039 R2040 S2041 | D2034-T2037 WeakPolarHBondContact CA-OG1 3.15Å; D2034-T2037 PolarHBondContact O-OG1 3.49Å; T2037-C2039 PolarHBondContact O-N 2.9Å; T2037-R2040 PolarHBondContact O-N 3.45Å; T2037-S2041 WeakPolarHBondContact O-CB 3.37Å; T2037-S2041 PolarHBondContact O-N 3.33Å; T2037-S2041 PolarHBondContact O-OG 2.86Å |
| 2038 | S | 59 | Low | 52.1 | Low | 40 Ų | 40 | 62.9 Ų | 62.9 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 175.1 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | D2034 R2040 S2041 F2042 | D2034-S2038 PolarHBondContact O-N 2.99Å; S2038-R2040 PolarHBondContact O-N 2.92Å; S2038-S2041 PolarHBondContact O-N 2.77Å; S2038-S2041 PolarHBondContact O-OG 2.82Å; S2038-F2042 PolarHBondContact O-N 3.47Å |
| 2039 | C | 63 | Low | 53.2 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -38.4 | -179.7 | -166.6 | 0 | 0 | 0 | 0 | 112.9 | W2035 E2036 T2037 F2042 E2043 Y2400 | W2035-C2039 WeakPolarHBondContact O-CB 3.49Å; W2035-C2039 PolarHBondContact O-N 3.17Å; W2035-C2039 VanDerWaalsContact O-N 3.13Å; E2036-C2039 PolarHBondContact O-N 3.24Å; T2037-C2039 PolarHBondContact O-N 2.9Å; C2039-F2042 PolarHBondContact O-N 3.47Å; C2039-E2043 WeakPolarHBondContact O-CG 3.49Å; C2039-E2043 PolarHBondContact O-N 3.4Å; C2039-Y2400 HydrophobicContact CB-CD2 4.1Å; C2039-Y2400 HydrophobicContact CB-CE2 4.42Å; C2039-Y2400 HydrophobicContact CB-CG 4.17Å |
| 2040 | R | 60.1 | Low | 54.5 | Low | 81 Ų | 81 | 55.7 Ų | 55.7 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 174.5 | -74.3 | -176.2 | -169.3 | 175.6 | 10.9 | 112.7 | E2036 T2037 S2038 F2042 E2043 A2044 | E2036-R2040 WeakPolarHBondContact O-CG 3.32Å; E2036-R2040 PolarHBondContact O-N 3.38Å; E2036-R2040 IonicContact OE1-CZ 3.86Å; E2036-R2040 IonicContact OE1-NE 3.9Å; E2036-R2040 IonicContact OE1-NH2 2.84Å; E2036-R2040 PolarHBondContact OE1-NH2 3.37Å; T2037-R2040 PolarHBondContact O-N 3.45Å; S2038-R2040 PolarHBondContact O-N 2.92Å; R2040-F2042 VanDerWaalsContact C-N 3.29Å; R2040-F2042 PolarHBondContact O-N 3.2Å; R2040-E2043 PolarHBondContact O-N 2.89Å; R2040-A2044 WeakPolarHBondContact O-CB 3.5Å; R2040-A2044 PolarHBondContact O-N 2.74Å |
| 2041 | S | 61.7 | Low | 55.4 | Low | 53 Ų | 53 | 50.5 Ų | 50.5 | 37% | 0.371 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 176.3 | 74.3 | 0 | 0 | 0 | 0 | 111.4 | T2037 S2038 L2045 | T2037-S2041 WeakPolarHBondContact O-CB 3.37Å; T2037-S2041 PolarHBondContact O-N 3.33Å; T2037-S2041 PolarHBondContact O-OG 2.86Å; S2038-S2041 PolarHBondContact O-N 2.77Å; S2038-S2041 PolarHBondContact O-OG 2.82Å; S2041-L2045 WeakPolarHBondContact O-CG 3.26Å; S2041-L2045 PolarHBondContact O-N 3.5Å |
| 2042 | F | 66.2 | Low | 55.9 | Low | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 174.2 | 177.1 | -98.9 | 0 | 0 | 0 | 112.6 | S2038 C2039 R2040 A2044 L2045 F2046 F2392 L2396 G2446 W2449 | S2038-F2042 PolarHBondContact O-N 3.47Å; C2039-F2042 PolarHBondContact O-N 3.47Å; R2040-F2042 VanDerWaalsContact C-N 3.29Å; R2040-F2042 PolarHBondContact O-N 3.2Å; F2042-A2044 VanDerWaalsContact C-N 3.27Å; F2042-A2044 PolarHBondContact O-N 2.95Å; F2042-L2045 PolarHBondContact O-N 3.28Å; F2042-F2046 HydrophobicContact CE1-CB 4.12Å; F2042-F2046 HydrophobicContact CE1-CD2 4.38Å; F2042-F2046 HydrophobicContact CE1-CG 4.28Å; F2042-F2046 HydrophobicContact CZ-CB 4.22Å; F2042-F2046 AromaticContact CZ-CD2 3.97Å; F2042-F2046 HydrophobicContact CZ-CD2 3.97Å; F2042-F2046 HydrophobicContact CZ-CG 4.28Å; F2042-F2046 VanDerWaalsContact O-CB 3.28Å; F2042-F2046 WeakPolarHBondContact O-CB 3.33Å; F2042-F2046 PolarHBondContact O-N 2.86Å; F2042-F2392 HydrophobicContact CE1-CE1 4.19Å; F2042-F2392 HydrophobicContact CZ-CE1 4.17Å; F2042-L2396 HydrophobicContact CD1-CD1 3.86Å; F2042-L2396 HydrophobicContact CE1-CD1 3.22Å; F2042-L2396 HydrophobicContact CE1-CG 4.46Å; F2042-L2396 HydrophobicContact CZ-CD1 4.07Å; F2042-G2446 WeakPolarHBondContact CE2-O 3.43Å; F2042-G2446 VanDerWaalsContact CZ-CA 3.46Å; F2042-G2446 VanDerWaalsContact CZ-O 3.28Å; F2042-G2446 WeakPolarHBondContact CZ-O 3.42Å; F2042-W2449 HydrophobicContact CB-CE3 3.88Å; F2042-W2449 HydrophobicContact CB-CH2 4.1Å; F2042-W2449 HydrophobicContact CB-CZ3 3.56Å; F2042-W2449 HydrophobicContact CD2-CB 3.89Å; F2042-W2449 AromaticContact CD2-CD2 3.51Å; F2042-W2449 HydrophobicContact CD2-CD2 3.51Å; F2042-W2449 AromaticContact CD2-CE3 3.15Å; F2042-W2449 HydrophobicContact CD2-CE3 3.15Å; F2042-W2449 AromaticContact CD2-CG 3.88Å; F2042-W2449 HydrophobicContact CD2-CG 3.88Å; F2042-W2449 AromaticContact CD2-CZ3 3.8Å; F2042-W2449 HydrophobicContact CD2-CZ3 3.8Å; F2042-W2449 HydrophobicContact CE2-CB 3.55Å; F2042-W2449 HydrophobicContact CE2-CD2 4.15Å; F2042-W2449 HydrophobicContact CE2-CE3 4.01Å; F2042-W2449 HydrophobicContact CE2-CG 4.04Å; F2042-W2449 HydrophobicContact CG-CD2 4.5Å; F2042-W2449 AromaticContact CG-CE3 3.81Å; F2042-W2449 HydrophobicContact CG-CE3 3.81Å; F2042-W2449 HydrophobicContact CG-CZ3 4.02Å |
| 2043 | E | 61.1 | Low | 56.4 | Low | 25 Ų | 25 | 44.7 Ų | 44.7 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | -179.6 | -75.1 | 176 | 157 | 0 | 0 | 112.1 | C2039 R2040 F2046 D2047 R2355 K2393 S2397 | C2039-E2043 WeakPolarHBondContact O-CG 3.49Å; C2039-E2043 PolarHBondContact O-N 3.4Å; R2040-E2043 PolarHBondContact O-N 2.89Å; E2043-F2046 PolarHBondContact O-N 3.37Å; E2043-D2047 PolarHBondContact O-N 3.47Å; E2043-R2355 IonicContact OE1-NH1 2.63Å; E2043-R2355 PolarHBondContact OE1-NH1 3.08Å; E2043-R2355 IonicContact OE2-NH1 2.62Å; E2043-R2355 PolarHBondContact OE2-NH1 2.7Å; E2043-K2393 HydrophobicContact CG-CB 4.46Å; E2043-K2393 HydrophobicContact CG-CD 4.38Å; E2043-K2393 HydrophobicContact CG-CG 4.19Å; E2043-S2397 PolarHBondContact OE1-OG 3.23Å |
| 2044 | A | 57 | Low | 56.3 | Low | 52 Ų | 52 | 42 Ų | 42 | 43% | 0.43 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.4 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R2040 F2042 F2046 D2047 L2048 | R2040-A2044 WeakPolarHBondContact O-CB 3.5Å; R2040-A2044 PolarHBondContact O-N 2.74Å; F2042-A2044 VanDerWaalsContact C-N 3.27Å; F2042-A2044 PolarHBondContact O-N 2.95Å; A2044-F2046 VanDerWaalsContact C-N 3.34Å; A2044-D2047 PolarHBondContact O-N 3.44Å; A2044-L2048 WeakPolarHBondContact O-CD1 3.37Å; A2044-L2048 WeakPolarHBondContact O-CG 3.3Å; A2044-L2048 PolarHBondContact O-N 3.43Å; A2044-L2048 VanDerWaalsContact O-N 3.12Å |
| 2045 | L | 58.2 | Low | 56.1 | Low | 40 Ų | 40 | 38.2 Ų | 38.2 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 174.2 | -79.7 | 166.2 | 0 | 0 | 0 | 111.8 | S2041 F2042 L2048 E2049 W2449 | S2041-L2045 WeakPolarHBondContact O-CG 3.26Å; S2041-L2045 PolarHBondContact O-N 3.5Å; F2042-L2045 PolarHBondContact O-N 3.28Å; L2045-L2048 PolarHBondContact O-N 3.37Å; L2045-E2049 PolarHBondContact O-N 3.5Å; L2045-W2449 HydrophobicContact CD1-CZ2 4.22Å |
| 2046 | F | 63.5 | Low | 55.4 | Low | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 178.9 | -171 | -106.9 | 0 | 0 | 0 | 112.1 | F2042 E2043 A2044 E2049 I2050 F2389 F2392 A2442 L2443 | F2042-F2046 HydrophobicContact CE1-CB 4.12Å; F2042-F2046 HydrophobicContact CE1-CD2 4.38Å; F2042-F2046 HydrophobicContact CE1-CG 4.28Å; F2042-F2046 HydrophobicContact CZ-CB 4.22Å; F2042-F2046 AromaticContact CZ-CD2 3.97Å; F2042-F2046 HydrophobicContact CZ-CD2 3.97Å; F2042-F2046 HydrophobicContact CZ-CG 4.28Å; F2042-F2046 VanDerWaalsContact O-CB 3.28Å; F2042-F2046 WeakPolarHBondContact O-CB 3.33Å; F2042-F2046 PolarHBondContact O-N 2.86Å; E2043-F2046 PolarHBondContact O-N 3.37Å; A2044-F2046 VanDerWaalsContact C-N 3.34Å; F2046-E2049 WeakPolarHBondContact O-CB 3.36Å; F2046-E2049 PolarHBondContact O-N 2.74Å; F2046-I2050 HydrophobicContact CD1-CD1 3.67Å; F2046-I2050 HydrophobicContact CD1-CG1 4.48Å; F2046-I2050 HydrophobicContact CE1-CD1 3.47Å; F2046-I2050 VanDerWaalsContact CE1-CD1 3.47Å; F2046-I2050 HydrophobicContact CE1-CG1 4.32Å; F2046-I2050 HydrophobicContact CZ-CD1 4.17Å; F2046-I2050 WeakPolarHBondContact O-CG1 3.48Å; F2046-I2050 PolarHBondContact O-N 3.07Å; F2046-F2389 HydrophobicContact CE1-CB 4.45Å; F2046-F2389 AromaticContact CE1-CD1 3.96Å; F2046-F2389 HydrophobicContact CE1-CD1 3.96Å; F2046-F2389 AromaticContact CZ-CD1 3.88Å; F2046-F2389 HydrophobicContact CZ-CD1 3.88Å; F2046-F2389 HydrophobicContact CZ-CE1 4.39Å; F2046-F2392 HydrophobicContact CD1-CD1 4.3Å; F2046-F2392 HydrophobicContact CD2-CE1 4.22Å; F2046-F2392 AromaticContact CE1-CD1 3.56Å; F2046-F2392 HydrophobicContact CE1-CD1 3.56Å; F2046-F2392 HydrophobicContact CE1-CE1 4.14Å; F2046-F2392 AromaticContact CE2-CD1 3.88Å; F2046-F2392 HydrophobicContact CE2-CD1 3.88Å; F2046-F2392 AromaticContact CE2-CE1 3.63Å; F2046-F2392 HydrophobicContact CE2-CE1 3.63Å; F2046-F2392 AromaticContact CZ-CD1 3.32Å; F2046-F2392 HydrophobicContact CZ-CD1 3.32Å; F2046-F2392 AromaticContact CZ-CE1 3.59Å; F2046-F2392 HydrophobicContact CZ-CE1 3.59Å; F2046-F2392 HydrophobicContact CZ-CG 4.26Å; F2046-A2442 WeakPolarHBondContact CE2-O 3.47Å; F2046-L2443 HydrophobicContact CZ-CD2 4.43Å; F2046-L2443 HydrophobicContact CZ-CG 4.41Å |
| 2047 | D | 57.8 | Low | 54.7 | Low | 49 Ų | 49 | 41 Ų | 41 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 173.2 | -83.2 | -20.5 | 0 | 0 | 0 | 112.7 | E2043 A2044 E2049 I2050 E2051 K2393 | E2043-D2047 PolarHBondContact O-N 3.47Å; A2044-D2047 PolarHBondContact O-N 3.44Å; D2047-E2049 VanDerWaalsContact C-N 3.28Å; D2047-E2049 PolarHBondContact O-N 2.85Å; D2047-I2050 PolarHBondContact O-N 2.92Å; D2047-E2051 WeakPolarHBondContact O-CB 3.24Å; D2047-E2051 WeakPolarHBondContact O-CG 3.42Å; D2047-E2051 PolarHBondContact O-N 3.3Å; D2047-K2393 WeakPolarHBondContact OD1-CE 3.29Å; D2047-K2393 IonicContact OD1-NZ 3.08Å; D2047-K2393 PolarHBondContact OD1-NZ 3.34Å; D2047-K2393 IonicContact OD2-NZ 3.84Å; D2047-K2393 PolarHBondContact OD2-NZ 2.88Å |
| 2048 | L | 54.2 | Low | 53.9 | Low | 51 Ų | 51 | 39.4 Ų | 39.4 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.3 | -33.4 | 174.1 | -77.5 | 161.8 | 0 | 0 | 0 | 111.9 | A2044 L2045 A2052 | A2044-L2048 WeakPolarHBondContact O-CD1 3.37Å; A2044-L2048 WeakPolarHBondContact O-CG 3.3Å; A2044-L2048 PolarHBondContact O-N 3.43Å; A2044-L2048 VanDerWaalsContact O-N 3.12Å; L2045-L2048 PolarHBondContact O-N 3.37Å; L2048-A2052 VanDerWaalsContact O-CB 3.24Å; L2048-A2052 WeakPolarHBondContact O-CB 3.5Å; L2048-A2052 PolarHBondContact O-N 2.78Å |
| 2049 | E | 55.5 | Low | 52.8 | Low | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.2 | -38.5 | 174.9 | -150.2 | 75.3 | -142.6 | 0 | 0 | 112.4 | K1744 L2045 F2046 D2047 A2052 N2053 F2445 | K1744-E2049 VanDerWaalsContact CE-OE2 3.3Å; K1744-E2049 WeakPolarHBondContact CE-OE2 3.37Å; K1744-E2049 IonicContact NZ-OE1 2.6Å; K1744-E2049 PolarHBondContact NZ-OE1 2.86Å; K1744-E2049 IonicContact NZ-OE2 3.87Å; K1744-E2049 PolarHBondContact NZ-OE2 3.02Å; L2045-E2049 PolarHBondContact O-N 3.5Å; F2046-E2049 WeakPolarHBondContact O-CB 3.36Å; F2046-E2049 PolarHBondContact O-N 2.74Å; D2047-E2049 VanDerWaalsContact C-N 3.28Å; D2047-E2049 PolarHBondContact O-N 2.85Å; E2049-A2052 PolarHBondContact O-N 2.79Å; E2049-N2053 WeakPolarHBondContact O-CB 3.47Å; E2049-N2053 PolarHBondContact O-N 3.18Å; E2049-N2053 PolarHBondContact O-ND2 2.98Å; E2049-F2445 HydrophobicContact CB-CD1 3.82Å; E2049-F2445 HydrophobicContact CB-CE1 4.19Å; E2049-F2445 HydrophobicContact CB-CG 4.45Å; E2049-F2445 HydrophobicContact CG-CB 3.84Å; E2049-F2445 HydrophobicContact CG-CD1 3.47Å; E2049-F2445 VanDerWaalsContact CG-CD1 3.47Å; E2049-F2445 HydrophobicContact CG-CD2 4.32Å; E2049-F2445 HydrophobicContact CG-CE1 4.08Å; E2049-F2445 HydrophobicContact CG-CG 3.61Å; E2049-F2445 WeakPolarHBondContact OE2-CE1 3.28Å; E2049-F2445 WeakPolarHBondContact OE2-CZ 3.3Å |
| 2050 | I | 56.5 | Low | 51.6 | Low | 28 Ų | 28 | 42.6 Ų | 42.6 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 174.1 | -69 | 168.1 | 0 | 0 | 0 | 110.8 | F2046 D2047 A2052 N2054 F2389 A2442 | F2046-I2050 HydrophobicContact CD1-CD1 3.67Å; F2046-I2050 HydrophobicContact CD1-CG1 4.48Å; F2046-I2050 HydrophobicContact CE1-CD1 3.47Å; F2046-I2050 VanDerWaalsContact CE1-CD1 3.47Å; F2046-I2050 HydrophobicContact CE1-CG1 4.32Å; F2046-I2050 HydrophobicContact CZ-CD1 4.17Å; F2046-I2050 WeakPolarHBondContact O-CG1 3.48Å; F2046-I2050 PolarHBondContact O-N 3.07Å; D2047-I2050 PolarHBondContact O-N 2.92Å; I2050-A2052 VanDerWaalsContact C-N 3.33Å; I2050-N2054 WeakPolarHBondContact CG2-ND2 3.38Å; I2050-N2054 WeakPolarHBondContact O-CB 3.41Å; I2050-N2054 PolarHBondContact O-N 3.46Å; I2050-N2054 PolarHBondContact O-ND2 2.78Å; I2050-N2054 VanDerWaalsContact O-ND2 3.09Å; I2050-F2389 HydrophobicContact CD1-CB 3.76Å; I2050-F2389 HydrophobicContact CD1-CD1 3.63Å; I2050-F2389 HydrophobicContact CD1-CD2 4.07Å; I2050-F2389 HydrophobicContact CD1-CE1 4.2Å; I2050-F2389 HydrophobicContact CD1-CG 3.56Å; I2050-F2389 HydrophobicContact CG1-CD1 4.13Å; I2050-F2389 HydrophobicContact CG1-CE1 4.19Å; I2050-F2389 HydrophobicContact CG1-CG 4.3Å; I2050-F2389 HydrophobicContact CG1-CZ 4.41Å; I2050-F2389 HydrophobicContact CG2-CD2 4.43Å; I2050-F2389 HydrophobicContact CG2-CE2 4.45Å; I2050-A2442 HydrophobicContact CG1-CB 3.88Å |
| 2051 | E | 50.6 | Low | 50.5 | Low | 55 Ų | 55 | 42.4 Ų | 42.4 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -35.6 | 175.1 | -77.8 | -170.3 | 164.1 | 0 | 0 | 112.1 | D2047 S2060 R2064 R2344 | D2047-E2051 WeakPolarHBondContact O-CB 3.24Å; D2047-E2051 WeakPolarHBondContact O-CG 3.42Å; D2047-E2051 PolarHBondContact O-N 3.3Å; E2051-S2060 WeakPolarHBondContact OE1-CB 3.4Å; E2051-R2064 IonicContact OE1-NH2 3.46Å; E2051-R2064 PolarHBondContact OE1-NH2 3.48Å; E2051-R2064 IonicContact OE2-NH2 3.8Å; E2051-R2064 PolarHBondContact OE2-NH2 3.29Å; E2051-R2344 IonicContact OE1-CZ 2.93Å; E2051-R2344 IonicContact OE1-NH1 3.36Å; E2051-R2344 PolarHBondContact OE1-NH1 3.39Å; E2051-R2344 IonicContact OE1-NH2 3.46Å; E2051-R2344 PolarHBondContact OE1-NH2 3.01Å |
| 2052 | A | 46.9 | Very low | 49.2 | Very low | 49 Ų | 49 | 42 Ų | 42 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -77.6 | -36.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L2048 E2049 I2050 | L2048-A2052 VanDerWaalsContact O-CB 3.24Å; L2048-A2052 WeakPolarHBondContact O-CB 3.5Å; L2048-A2052 PolarHBondContact O-N 2.78Å; E2049-A2052 PolarHBondContact O-N 2.79Å; I2050-A2052 VanDerWaalsContact C-N 3.33Å |
| 2053 | N | 47.3 | Very low | 47.9 | Very low | 38 Ų | 38 | 43.5 Ų | 43.5 | 20% | 0.203 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -90.5 | -21.3 | -175 | -78.4 | -40.7 | 0 | 0 | 0 | 114.2 | E2049 S2438 | E2049-N2053 WeakPolarHBondContact O-CB 3.47Å; E2049-N2053 PolarHBondContact O-N 3.18Å; E2049-N2053 PolarHBondContact O-ND2 2.98Å; N2053-S2438 VanDerWaalsContact O-CB 3.23Å; N2053-S2438 WeakPolarHBondContact O-CB 3.46Å |
| 2054 | N | 47.2 | Very low | 46.8 | Very low | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -97 | 130.7 | 177.9 | -68 | -48.6 | 0 | 0 | 0 | 110.5 | I2050 I2056 S2438 | I2050-N2054 WeakPolarHBondContact CG2-ND2 3.38Å; I2050-N2054 WeakPolarHBondContact O-CB 3.41Å; I2050-N2054 PolarHBondContact O-N 3.46Å; I2050-N2054 PolarHBondContact O-ND2 2.78Å; I2050-N2054 VanDerWaalsContact O-ND2 3.09Å; N2054-I2056 HydrophobicContact CB-CB 4.09Å; N2054-I2056 HydrophobicContact CB-CD1 3.76Å; N2054-I2056 HydrophobicContact CB-CG1 3.82Å; N2054-I2056 PolarHBondContact O-N 3.07Å; N2054-S2438 WeakPolarHBondContact OD1-CB 3.35Å; N2054-S2438 PolarHBondContact OD1-OG 3.44Å |
| 2055 | S | 43.6 | Very low | 45.8 | Very low | 62 Ų | 62 | 49.2 Ų | 49.2 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -66.1 | 42.6 | 158.6 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 2056 | I | 43.7 | Very low | 44.7 | Very low | 80 Ų | 80 | 49.1 Ų | 49.1 | 41% | 0.41 | 26% | 0.262 | S | S | . | . | trans | -108.1 | 49.3 | 170.2 | -52.5 | 165.3 | 0 | 0 | 0 | 106.3 | N2054 F2058 C2059 | N2054-I2056 HydrophobicContact CB-CB 4.09Å; N2054-I2056 HydrophobicContact CB-CD1 3.76Å; N2054-I2056 HydrophobicContact CB-CG1 3.82Å; N2054-I2056 PolarHBondContact O-N 3.07Å; I2056-F2058 PolarHBondContact O-N 3.5Å; I2056-C2059 HydrophobicContact CG2-CB 3.91Å | ||
| 2057 | E | 40.5 | Very low | 43.4 | Very low | 61 Ų | 61 | 51.5 Ų | 51.5 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57 | -22.5 | 160.3 | -78.9 | 172.3 | 149.4 | 0 | 0 | 110.1 | K1740 C2059 E2061 | K1740-E2057 IonicContact NZ-OE1 3.67Å; K1740-E2057 PolarHBondContact NZ-OE1 3.5Å; E2057-C2059 PolarHBondContact O-N 3.49Å; E2057-E2061 VanDerWaalsContact O-CB 3.24Å; E2057-E2061 WeakPolarHBondContact O-CB 3.49Å; E2057-E2061 PolarHBondContact O-N 2.94Å |
| 2058 | F | 38.7 | Very low | 42.4 | Very low | 41 Ų | 41 | 52.5 Ų | 52.5 | 18% | 0.18 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.9 | -24.8 | -171 | -134.6 | -86.6 | 0 | 0 | 0 | 116.4 | S1884 I1885 L1888 I2056 L2062 | S1884-F2058 WeakPolarHBondContact O-CE1 3.3Å; S1884-F2058 WeakPolarHBondContact O-CZ 3.33Å; I1885-F2058 HydrophobicContact CB-CE2 4.45Å; I1885-F2058 HydrophobicContact CB-CZ 4.44Å; I1885-F2058 HydrophobicContact CG1-CE2 3.73Å; I1885-F2058 HydrophobicContact CG1-CZ 4.09Å; L1888-F2058 HydrophobicContact CB-CE1 4.06Å; L1888-F2058 HydrophobicContact CB-CE2 4.25Å; L1888-F2058 HydrophobicContact CB-CZ 3.45Å; L1888-F2058 VanDerWaalsContact CB-CZ 3.45Å; L1888-F2058 HydrophobicContact CD1-CE1 4.37Å; L1888-F2058 HydrophobicContact CD1-CE2 4.48Å; L1888-F2058 HydrophobicContact CD1-CZ 4.1Å; L1888-F2058 HydrophobicContact CD2-CE2 4.25Å; L1888-F2058 HydrophobicContact CD2-CZ 4.26Å; L1888-F2058 HydrophobicContact CG-CZ 4.14Å; I2056-F2058 PolarHBondContact O-N 3.5Å; F2058-L2062 WeakPolarHBondContact O-CB 3.22Å |
| 2059 | C | 36.2 | Very low | 41.4 | Very low | 87 Ų | 87 | 52.4 Ų | 52.4 | 59% | 0.588 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -100.7 | -37.9 | -175.9 | -71.1 | 0 | 0 | 0 | 0 | 113.4 | I2056 E2057 S2063 | I2056-C2059 HydrophobicContact CG2-CB 3.91Å; E2057-C2059 PolarHBondContact O-N 3.49Å; C2059-S2063 VanDerWaalsContact O-CB 3.24Å; C2059-S2063 WeakPolarHBondContact O-CB 3.48Å; C2059-S2063 PolarHBondContact O-N 3.32Å |
| 2060 | S | 38.3 | Very low | 40.4 | Very low | 21 Ų | 21 | 53.8 Ų | 53.8 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -80.4 | -36.6 | -177.7 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | E2051 S2063 R2064 | E2051-S2060 WeakPolarHBondContact OE1-CB 3.4Å; S2060-S2063 PolarHBondContact O-N 3.48Å; S2060-S2063 PolarHBondContact O-OG 2.84Å; S2060-R2064 PolarHBondContact O-N 3.22Å |
| 2061 | E | 35.1 | Very low | 39.4 | Very low | 77 Ų | 77 | 54.3 Ų | 54.3 | 36% | 0.36 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76.4 | -38.4 | 180 | -145.8 | 160.8 | -139.5 | 0 | 0 | 111.8 | E2057 S2063 R2064 H2065 | E2057-E2061 VanDerWaalsContact O-CB 3.24Å; E2057-E2061 WeakPolarHBondContact O-CB 3.49Å; E2057-E2061 PolarHBondContact O-N 2.94Å; E2061-S2063 VanDerWaalsContact C-N 3.33Å; E2061-R2064 PolarHBondContact O-N 2.92Å; E2061-H2065 WeakPolarHBondContact O-CB 3.4Å; E2061-H2065 PolarHBondContact O-N 3.22Å; E2061-H2065 PolarHBondContact O-ND1 3.41Å |
| 2062 | L | 36.1 | Very low | 38.6 | Very low | 44 Ų | 44 | 58.3 Ų | 58.3 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 166.6 | -169.3 | 84.6 | 0 | 0 | 0 | 110.8 | L1888 F2058 L2066 | L1888-L2062 HydrophobicContact CB-CD1 4.43Å; L1888-L2062 HydrophobicContact CD1-CB 4.28Å; L1888-L2062 HydrophobicContact CD1-CD1 3.56Å; L1888-L2062 HydrophobicContact CG-CD1 4.43Å; F2058-L2062 WeakPolarHBondContact O-CB 3.22Å; L2062-L2066 HydrophobicContact CD1-CD1 4.31Å; L2062-L2066 HydrophobicContact CD2-CD1 3.91Å; L2062-L2066 HydrophobicContact CG-CD1 3.65Å; L2062-L2066 HydrophobicContact CG-CG 4.18Å; L2062-L2066 WeakPolarHBondContact O-CA 3.16Å; L2062-L2066 WeakPolarHBondContact O-CB 3.4Å; L2062-L2066 VanDerWaalsContact O-CG 3.26Å; L2062-L2066 WeakPolarHBondContact O-CG 3.22Å; L2062-L2066 PolarHBondContact O-N 2.93Å |
| 2063 | S | 38.7 | Very low | 37.9 | Very low | 31 Ų | 31 | 58.1 Ų | 58.1 | 22% | 0.217 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 176 | 80.4 | 0 | 0 | 0 | 0 | 113.1 | C2059 S2060 E2061 Q2067 | C2059-S2063 VanDerWaalsContact O-CB 3.24Å; C2059-S2063 WeakPolarHBondContact O-CB 3.48Å; C2059-S2063 PolarHBondContact O-N 3.32Å; S2060-S2063 PolarHBondContact O-N 3.48Å; S2060-S2063 PolarHBondContact O-OG 2.84Å; E2061-S2063 VanDerWaalsContact C-N 3.33Å; S2063-Q2067 WeakPolarHBondContact O-CA 3.06Å; S2063-Q2067 WeakPolarHBondContact O-CB 3.45Å; S2063-Q2067 WeakPolarHBondContact O-CG 3.25Å; S2063-Q2067 PolarHBondContact O-N 3.02Å; S2063-Q2067 PolarHBondContact O-OE1 3.04Å |
| 2064 | R | 38.3 | Very low | 37.4 | Very low | 117 Ų | 117 | 58.5 Ų | 58.5 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.2 | -41.6 | 176.3 | -73.8 | -172.6 | -160.4 | 113.1 | 2 | 112 | E2051 S2060 E2061 Q2067 S2068 R2344 | E2051-R2064 IonicContact OE1-NH2 3.46Å; E2051-R2064 PolarHBondContact OE1-NH2 3.48Å; E2051-R2064 IonicContact OE2-NH2 3.8Å; E2051-R2064 PolarHBondContact OE2-NH2 3.29Å; S2060-R2064 PolarHBondContact O-N 3.22Å; E2061-R2064 PolarHBondContact O-N 2.92Å; R2064-Q2067 PolarHBondContact O-N 3.34Å; R2064-S2068 PolarHBondContact O-N 3.45Å; R2064-R2344 VanDerWaalsContact NH2-NH1 3.15Å |
| 2065 | H | 35.6 | Very low | 36.9 | Very low | 80 Ų | 80 | 59 Ų | 59 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.1 | -43 | 176.9 | -83.4 | 81.3 | 0 | 0 | 0 | 111.9 | E2061 Q2067 S2068 Y2069 | E2061-H2065 WeakPolarHBondContact O-CB 3.4Å; E2061-H2065 PolarHBondContact O-N 3.22Å; E2061-H2065 PolarHBondContact O-ND1 3.41Å; H2065-Q2067 VanDerWaalsContact C-N 3.31Å; H2065-Q2067 PolarHBondContact O-N 3.5Å; H2065-S2068 PolarHBondContact O-N 3.1Å; H2065-S2068 PolarHBondContact O-OG 3.38Å; H2065-Y2069 WeakPolarHBondContact O-CB 3.29Å; H2065-Y2069 PolarHBondContact O-N 2.8Å |
| 2066 | L | 33.7 | Very low | 36.3 | Very low | 38 Ų | 38 | 58.5 Ų | 58.5 | 20% | 0.199 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -33.6 | 167.7 | -76.3 | 170.4 | 0 | 0 | 0 | 111 | L2062 Y2069 L2070 | L2062-L2066 HydrophobicContact CD1-CD1 4.31Å; L2062-L2066 HydrophobicContact CD2-CD1 3.91Å; L2062-L2066 HydrophobicContact CG-CD1 3.65Å; L2062-L2066 HydrophobicContact CG-CG 4.18Å; L2062-L2066 WeakPolarHBondContact O-CA 3.16Å; L2062-L2066 WeakPolarHBondContact O-CB 3.4Å; L2062-L2066 VanDerWaalsContact O-CG 3.26Å; L2062-L2066 WeakPolarHBondContact O-CG 3.22Å; L2062-L2066 PolarHBondContact O-N 2.93Å; L2066-Y2069 PolarHBondContact O-N 2.85Å; L2066-L2070 HydrophobicContact CB-CD1 3.78Å; L2066-L2070 HydrophobicContact CB-CG 4.34Å; L2066-L2070 HydrophobicContact CD2-CD1 4.34Å; L2066-L2070 HydrophobicContact CD2-CG 4.41Å; L2066-L2070 WeakPolarHBondContact O-CA 3.17Å; L2066-L2070 WeakPolarHBondContact O-CB 3.17Å; L2066-L2070 WeakPolarHBondContact O-CD1 3.44Å; L2066-L2070 VanDerWaalsContact O-CG 3.22Å; L2066-L2070 WeakPolarHBondContact O-CG 3.48Å; L2066-L2070 PolarHBondContact O-N 3.37Å |
| 2067 | Q | 36.4 | Very low | 35.8 | Very low | 50 Ų | 50 | 58.9 Ų | 58.9 | 23% | 0.234 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.6 | -36 | 174 | -88.7 | 172.3 | -44 | 0 | 0 | 112.4 | S2063 R2064 H2065 G2071 P2343 | S2063-Q2067 WeakPolarHBondContact O-CA 3.06Å; S2063-Q2067 WeakPolarHBondContact O-CB 3.45Å; S2063-Q2067 WeakPolarHBondContact O-CG 3.25Å; S2063-Q2067 PolarHBondContact O-N 3.02Å; S2063-Q2067 PolarHBondContact O-OE1 3.04Å; R2064-Q2067 PolarHBondContact O-N 3.34Å; H2065-Q2067 VanDerWaalsContact C-N 3.31Å; H2065-Q2067 PolarHBondContact O-N 3.5Å; Q2067-G2071 WeakPolarHBondContact O-CA 3.35Å; Q2067-G2071 PolarHBondContact O-N 3.38Å; Q2067-P2343 HydrophobicContact CG-CB 4.04Å |
| 2068 | S | 36.6 | Very low | 35.6 | Very low | 71 Ų | 71 | 57.2 Ų | 57.2 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.3 | -33.7 | 174.1 | 84.4 | 0 | 0 | 0 | 0 | 112.7 | R2064 H2065 | R2064-S2068 PolarHBondContact O-N 3.45Å; H2065-S2068 PolarHBondContact O-N 3.1Å; H2065-S2068 PolarHBondContact O-OG 3.38Å |
| 2069 | Y | 33.6 | Very low | 35.3 | Very low | 48 Ų | 48 | 56.1 Ų | 56.1 | 19% | 0.188 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -92.4 | -43.8 | -174.8 | -151.5 | -109.9 | 0 | 0 | 0 | 113.1 | W1894 L1895 S1898 H2065 L2066 G2071 R2072 A2073 | W1894-Y2069 PolarHBondContact O-OH 3.5Å; L1895-Y2069 HydrophobicContact CB-CE2 4.21Å; L1895-Y2069 HydrophobicContact CD1-CD2 4.14Å; L1895-Y2069 HydrophobicContact CD1-CG 4.22Å; L1895-Y2069 HydrophobicContact CD2-CD2 3.09Å; L1895-Y2069 HydrophobicContact CD2-CE2 3.29Å; L1895-Y2069 HydrophobicContact CD2-CG 3.96Å; L1895-Y2069 HydrophobicContact CG-CD1 4.37Å; L1895-Y2069 HydrophobicContact CG-CD2 3.38Å; L1895-Y2069 HydrophobicContact CG-CE1 4.35Å; L1895-Y2069 HydrophobicContact CG-CE2 3.36Å; L1895-Y2069 HydrophobicContact CG-CG 3.88Å; S1898-Y2069 WeakPolarHBondContact CB-OH 3.43Å; S1898-Y2069 PolarHBondContact OG-OH 3.45Å; H2065-Y2069 WeakPolarHBondContact O-CB 3.29Å; H2065-Y2069 PolarHBondContact O-N 2.8Å; L2066-Y2069 PolarHBondContact O-N 2.85Å; Y2069-G2071 PolarHBondContact O-N 2.9Å; Y2069-R2072 PolarHBondContact O-N 3.1Å; Y2069-R2072 VanDerWaalsContact O-N 3.15Å; Y2069-A2073 PolarHBondContact O-N 2.74Å; Y2069-A2073 VanDerWaalsContact O-N 3.16Å |
| 2070 | L | 34.4 | Very low | 35.4 | Very low | 40 Ų | 40 | 53.4 Ų | 53.4 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -29.7 | 158.5 | -67.2 | 159.8 | 0 | 0 | 0 | 109.4 | I635 L2066 R2072 A2073 K2074 | I635-L2070 HydrophobicContact CG2-CD2 4.43Å; L2066-L2070 HydrophobicContact CB-CD1 3.78Å; L2066-L2070 HydrophobicContact CB-CG 4.34Å; L2066-L2070 HydrophobicContact CD2-CD1 4.34Å; L2066-L2070 HydrophobicContact CD2-CG 4.41Å; L2066-L2070 WeakPolarHBondContact O-CA 3.17Å; L2066-L2070 WeakPolarHBondContact O-CB 3.17Å; L2066-L2070 WeakPolarHBondContact O-CD1 3.44Å; L2066-L2070 VanDerWaalsContact O-CG 3.22Å; L2066-L2070 WeakPolarHBondContact O-CG 3.48Å; L2066-L2070 PolarHBondContact O-N 3.37Å; L2070-R2072 PolarHBondContact O-N 3.42Å; L2070-R2072 VanDerWaalsContact O-N 3.14Å; L2070-A2073 PolarHBondContact O-N 3.37Å; L2070-K2074 HydrophobicContact CB-CD 3.98Å; L2070-K2074 HydrophobicContact CB-CG 4.03Å; L2070-K2074 VanDerWaalsContact O-CA 3.25Å; L2070-K2074 WeakPolarHBondContact O-CA 3.36Å; L2070-K2074 WeakPolarHBondContact O-CB 3.37Å; L2070-K2074 WeakPolarHBondContact O-CD 3.14Å; L2070-K2074 WeakPolarHBondContact O-CG 3.44Å; L2070-K2074 PolarHBondContact O-N 2.77Å |
| 2071 | G | 36.7 | Very low | 35.2 | Very low | 38 Ų | 38 | 56 Ų | 56 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56 | -29.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q2067 Y2069 V2075 | Q2067-G2071 WeakPolarHBondContact O-CA 3.35Å; Q2067-G2071 PolarHBondContact O-N 3.38Å; Y2069-G2071 PolarHBondContact O-N 2.9Å; G2071-V2075 WeakPolarHBondContact O-CG2 3.35Å |
| 2072 | R | 32.3 | Very low | 35.3 | Very low | 140 Ų | 140 | 57.4 Ų | 57.4 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -90.5 | -36.1 | 174.7 | -70.3 | -177.9 | 179.8 | 180 | -1.5 | 113.6 | Y2069 L2070 V2075 | Y2069-R2072 PolarHBondContact O-N 3.1Å; Y2069-R2072 VanDerWaalsContact O-N 3.15Å; L2070-R2072 PolarHBondContact O-N 3.42Å; L2070-R2072 VanDerWaalsContact O-N 3.14Å; R2072-V2075 WeakPolarHBondContact O-CG2 3.43Å |
| 2073 | A | 33 | Very low | 35.5 | Very low | 45 Ų | 45 | 56 Ų | 56 | 37% | 0.372 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -81.4 | -23.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A639 Y2069 L2070 V2075 | A639-A2073 HydrophobicContact CB-CB 4.38Å; Y2069-A2073 PolarHBondContact O-N 2.74Å; Y2069-A2073 VanDerWaalsContact O-N 3.16Å; L2070-A2073 PolarHBondContact O-N 3.37Å; A2073-V2075 PolarHBondContact O-N 2.84Å |
| 2074 | K | 36.5 | Very low | 35.5 | Very low | 45 Ų | 45 | 56.1 Ų | 56.1 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.8 | -13.5 | 171.2 | -86.1 | 171.3 | 155.4 | -168.8 | 0 | 111.6 | L2070 L2076 F2077 V2078 | L2070-K2074 HydrophobicContact CB-CD 3.98Å; L2070-K2074 HydrophobicContact CB-CG 4.03Å; L2070-K2074 VanDerWaalsContact O-CA 3.25Å; L2070-K2074 WeakPolarHBondContact O-CA 3.36Å; L2070-K2074 WeakPolarHBondContact O-CB 3.37Å; L2070-K2074 WeakPolarHBondContact O-CD 3.14Å; L2070-K2074 WeakPolarHBondContact O-CG 3.44Å; L2070-K2074 PolarHBondContact O-N 2.77Å; K2074-L2076 PolarHBondContact O-N 3.01Å; K2074-F2077 PolarHBondContact O-N 3.39Å; K2074-V2078 HydrophobicContact CB-CB 4Å; K2074-V2078 HydrophobicContact CB-CG2 3.53Å; K2074-V2078 HydrophobicContact CD-CG2 3.63Å; K2074-V2078 HydrophobicContact CG-CG2 3.61Å; K2074-V2078 WeakPolarHBondContact O-CA 3.3Å; K2074-V2078 VanDerWaalsContact O-CB 3.25Å; K2074-V2078 WeakPolarHBondContact O-CB 3.05Å; K2074-V2078 PolarHBondContact O-N 3.47Å |
| 2075 | V | 36.4 | Very low | 35.4 | Very low | 22 Ų | 22 | 51.9 Ų | 51.9 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -20.4 | -179.2 | -178.9 | 0 | 0 | 0 | 0 | 112 | L2013 G2071 R2072 A2073 A2079 | L2013-V2075 HydrophobicContact CB-CG1 3.57Å; L2013-V2075 WeakPolarHBondContact O-CG1 3.23Å; G2071-V2075 WeakPolarHBondContact O-CG2 3.35Å; R2072-V2075 WeakPolarHBondContact O-CG2 3.43Å; A2073-V2075 PolarHBondContact O-N 2.84Å; V2075-A2079 VanDerWaalsContact O-CB 3.25Å; V2075-A2079 WeakPolarHBondContact O-CB 3.37Å |
| 2076 | L | 31.8 | Very low | 35.6 | Very low | 52 Ų | 52 | 53.8 Ų | 53.8 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -93.8 | -29.9 | 167.1 | -87.3 | 145.8 | 0 | 0 | 0 | 114.7 | F1956 K2074 C2080 | F1956-L2076 HydrophobicContact CE1-CD1 4.43Å; K2074-L2076 PolarHBondContact O-N 3.01Å; L2076-C2080 PolarHBondContact O-SG 3.37Å; L2076-C2080 VanDerWaalsContact O-SG 3.33Å |
| 2077 | F | 34 | Very low | 35.8 | Very low | 88 Ų | 88 | 55.9 Ų | 55.9 | 39% | 0.386 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -92.3 | -27.9 | -177.6 | -161.8 | -118.8 | 0 | 0 | 0 | 114.7 | V638 K2074 C2080 L2081 | V638-F2077 HydrophobicContact CB-CD2 3.84Å; V638-F2077 HydrophobicContact CB-CE2 4.11Å; V638-F2077 HydrophobicContact CB-CG 4.39Å; V638-F2077 HydrophobicContact CG1-CD2 3.07Å; V638-F2077 HydrophobicContact CG1-CE2 3.27Å; V638-F2077 HydrophobicContact CG1-CG 4.03Å; V638-F2077 HydrophobicContact CG1-CZ 4.32Å; V638-F2077 HydrophobicContact CG2-CD2 4.47Å; V638-F2077 HydrophobicContact CG2-CE2 4.28Å; K2074-F2077 PolarHBondContact O-N 3.39Å; F2077-C2080 WeakPolarHBondContact O-CB 3.36Å; F2077-C2080 PolarHBondContact O-N 2.8Å; F2077-L2081 HydrophobicContact CD1-CD1 3.9Å; F2077-L2081 HydrophobicContact CE1-CD1 3.72Å; F2077-L2081 HydrophobicContact CZ-CD1 4.31Å; F2077-L2081 PolarHBondContact O-N 3.39Å |
| 2078 | V | 34.4 | Very low | 35.7 | Very low | 26 Ų | 26 | 57.5 Ų | 57.5 | 16% | 0.158 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -26.8 | 170.2 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | K2074 C2080 L2081 H2082 | K2074-V2078 HydrophobicContact CB-CB 4Å; K2074-V2078 HydrophobicContact CB-CG2 3.53Å; K2074-V2078 HydrophobicContact CD-CG2 3.63Å; K2074-V2078 HydrophobicContact CG-CG2 3.61Å; K2074-V2078 WeakPolarHBondContact O-CA 3.3Å; K2074-V2078 VanDerWaalsContact O-CB 3.25Å; K2074-V2078 WeakPolarHBondContact O-CB 3.05Å; K2074-V2078 PolarHBondContact O-N 3.47Å; V2078-C2080 PolarHBondContact O-N 2.7Å; V2078-L2081 CarbonylContact O-C 3.54Å; V2078-L2081 PolarHBondContact O-N 3Å; V2078-L2081 VanDerWaalsContact O-N 3.08Å; V2078-H2082 HydrophobicContact CG1-CB 4.05Å; V2078-H2082 VanDerWaalsContact CG1-CD2 3.47Å; V2078-H2082 WeakPolarHBondContact CG1-CD2 3.5Å; V2078-H2082 WeakPolarHBondContact O-CA 3.47Å; V2078-H2082 WeakPolarHBondContact O-CB 3.44Å; V2078-H2082 PolarHBondContact O-N 3.16Å |
| 2079 | A | 33.9 | Very low | 35.6 | Very low | 18 Ų | 18 | 57.8 Ų | 57.8 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2013 V2075 F2083 | L2013-A2079 HydrophobicContact CD1-CB 4.25Å; L2013-A2079 HydrophobicContact CD2-CB 3.98Å; V2075-A2079 VanDerWaalsContact O-CB 3.25Å; V2075-A2079 WeakPolarHBondContact O-CB 3.37Å; A2079-F2083 WeakPolarHBondContact O-CE1 3.42Å; A2079-F2083 WeakPolarHBondContact O-CZ 3.5Å |
| 2080 | C | 36.8 | Very low | 35.3 | Very low | 31 Ų | 31 | 66.3 Ų | 66.3 | 21% | 0.209 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -11.1 | 172.1 | -65.1 | 0 | 0 | 0 | 0 | 115 | L2076 F2077 V2078 F2083 | L2076-C2080 PolarHBondContact O-SG 3.37Å; L2076-C2080 VanDerWaalsContact O-SG 3.33Å; F2077-C2080 WeakPolarHBondContact O-CB 3.36Å; F2077-C2080 PolarHBondContact O-N 2.8Å; V2078-C2080 PolarHBondContact O-N 2.7Å; C2080-F2083 WeakPolarHBondContact O-CE2 3.31Å |
| 2081 | L | 34.7 | Very low | 35 | Very low | 76 Ų | 76 | 69 Ų | 69 | 40% | 0.398 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -10 | -177 | -80.7 | 162.6 | 0 | 0 | 0 | 113.7 | F2077 V2078 | F2077-L2081 HydrophobicContact CD1-CD1 3.9Å; F2077-L2081 HydrophobicContact CE1-CD1 3.72Å; F2077-L2081 HydrophobicContact CZ-CD1 4.31Å; F2077-L2081 PolarHBondContact O-N 3.39Å; V2078-L2081 CarbonylContact O-C 3.54Å; V2078-L2081 PolarHBondContact O-N 3Å; V2078-L2081 VanDerWaalsContact O-N 3.08Å |
| 2082 | H | 36.5 | Very low | 34.7 | Very low | 105 Ų | 105 | 73.2 Ų | 73.2 | 49% | 0.486 | 41% | 0.414 | S | S | . | . | trans | -126.3 | 82.6 | 169.2 | -77.5 | -29 | 0 | 0 | 0 | 106.8 | V2078 G2084 | V2078-H2082 HydrophobicContact CG1-CB 4.05Å; V2078-H2082 VanDerWaalsContact CG1-CD2 3.47Å; V2078-H2082 WeakPolarHBondContact CG1-CD2 3.5Å; V2078-H2082 WeakPolarHBondContact O-CA 3.47Å; V2078-H2082 WeakPolarHBondContact O-CB 3.44Å; V2078-H2082 PolarHBondContact O-N 3.16Å; H2082-G2084 VanDerWaalsContact C-N 3.29Å | ||
| 2083 | F | 42 | Very low | 34.4 | Very low | 16 Ų | 16 | 75 Ų | 75 | 7% | 0.07 | 43% | 0.43 | C | S | . | . | trans | -90.2 | 5.9 | 166.6 | -76.6 | -74 | 0 | 0 | 0 | 112.8 | A2079 C2080 Y2156 F2193 K2197 C2241 | A2079-F2083 WeakPolarHBondContact O-CE1 3.42Å; A2079-F2083 WeakPolarHBondContact O-CZ 3.5Å; C2080-F2083 WeakPolarHBondContact O-CE2 3.31Å; F2083-Y2156 AromaticContact CE1-CD1 3.89Å; F2083-Y2156 HydrophobicContact CE1-CD1 3.89Å; F2083-Y2156 AromaticContact CE1-CE1 3.91Å; F2083-Y2156 HydrophobicContact CE1-CE1 3.91Å; F2083-Y2156 HydrophobicContact CZ-CD1 4.21Å; F2083-Y2156 AromaticContact CZ-CE1 3.74Å; F2083-Y2156 HydrophobicContact CZ-CE1 3.74Å; F2083-F2193 HydrophobicContact CB-CE1 4.2Å; F2083-F2193 HydrophobicContact CB-CZ 3.62Å; F2083-F2193 AromaticContact CD1-CE1 3.46Å; F2083-F2193 HydrophobicContact CD1-CE1 3.46Å; F2083-F2193 VanDerWaalsContact CD1-CE1 3.46Å; F2083-F2193 AromaticContact CD1-CZ 3.81Å; F2083-F2193 HydrophobicContact CD1-CZ 3.81Å; F2083-F2193 HydrophobicContact CD2-CE1 4.14Å; F2083-F2193 HydrophobicContact CD2-CZ 4.05Å; F2083-F2193 HydrophobicContact CE1-CD1 4.47Å; F2083-F2193 AromaticContact CE1-CE1 3.65Å; F2083-F2193 HydrophobicContact CE1-CE1 3.65Å; F2083-F2193 HydrophobicContact CE1-CZ 4.39Å; F2083-F2193 HydrophobicContact CE2-CE1 4.3Å; F2083-F2193 AromaticContact CG-CE1 3.7Å; F2083-F2193 HydrophobicContact CG-CE1 3.7Å; F2083-F2193 AromaticContact CG-CZ 3.58Å; F2083-F2193 HydrophobicContact CG-CZ 3.58Å; F2083-F2193 HydrophobicContact CZ-CE1 4.05Å; F2083-K2197 WeakPolarHBondContact O-CE 3.42Å; F2083-K2197 PolarHBondContact O-NZ 3.47Å; F2083-C2241 HydrophobicContact CD2-CB 4.37Å | ||
| 2084 | G | 38.7 | Very low | 34.1 | Very low | 32 Ų | 32 | 81.7 Ų | 81.7 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -86.7 | 138.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H2082 | H2082-G2084 VanDerWaalsContact C-N 3.29Š|
| 2085 | P | 34.6 | Very low | 33.5 | Very low | 29 Ų | 29 | 83.3 Ų | 83.3 | 19% | 0.188 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 153.5 | 177.9 | 28.1 | -33.6 | 0 | 0 | 0 | 111.3 | S2087 F2201 H2248 | P2085-S2087 PolarHBondContact O-N 3.18Å; P2085-F2201 HydrophobicContact CB-CZ 4.01Å; P2085-F2201 HydrophobicContact CG-CZ 3.95Å; P2085-H2248 WeakPolarHBondContact CD-NE2 3.33Å; P2085-H2248 VanDerWaalsContact CG-NE2 3.27Å; P2085-H2248 WeakPolarHBondContact CG-NE2 3.23Å |
| 2086 | P | 40 | Very low | 33 | Very low | 120 Ų | 120 | 85.9 Ų | 85.9 | 78% | 0.779 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -57.1 | 127.4 | 169.7 | 24.6 | -31.6 | 0 | 0 | 0 | 109.3 | A2088 | P2086-A2088 PolarHBondContact O-N 3.04Š|
| 2087 | S | 39 | Very low | 32.7 | Very low | 82 Ų | 82 | 93.1 Ų | 93.1 | 57% | 0.573 | 54% | 0.543 | S | S | * | . | trans | -39.8 | 118.1 | -169 | 49.9 | 0 | 0 | 0 | 0 | 115.5 | P2085 T2089 | P2085-S2087 PolarHBondContact O-N 3.18Å; S2087-T2089 PolarHBondContact O-N 2.83Å; S2087-T2089 VanDerWaalsContact O-N 3.1Å | ||
| 2088 | A | 33.2 | Very low | 32.2 | Very low | 84 Ų | 84 | 95.7 Ų | 95.7 | 69% | 0.694 | 56% | 0.56 | S | S | * | * | trans | -79.2 | 36.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P2086 R2090 | P2086-A2088 PolarHBondContact O-N 3.04Å; A2088-R2090 PolarHBondContact O-N 3.28Å; A2088-R2090 VanDerWaalsContact O-N 3.1Å | ||
| 2089 | T | 34.4 | Very low | 31.8 | Very low | 77 Ų | 77 | 105.2 Ų | 105.2 | 47% | 0.472 | 60% | 0.599 | S | S | . | * | trans | -79 | 21.6 | 174.4 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | S2087 | S2087-T2089 PolarHBondContact O-N 2.83Å; S2087-T2089 VanDerWaalsContact O-N 3.1Å | ||
| 2090 | R | 28.9 | Very low | 31.2 | Very low | 227 Ų | 227 | 108.8 Ų | 108.8 | 86% | 0.857 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -89.4 | 117.3 | 154.3 | -81.8 | -176.4 | 175.5 | 165.4 | 0.8 | 107.1 | A2088 | A2088-R2090 PolarHBondContact O-N 3.28Å; A2088-R2090 VanDerWaalsContact O-N 3.1Å |
| 2091 | P | 27.2 | Very low | 30.6 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | trans | -55.7 | 148.6 | 171.7 | 26.8 | -32.8 | 0 | 0 | 0 | 108.4 | M2093 | P2091-M2093 PolarHBondContact O-N 3.43Š| ||
| 2092 | P | 31.4 | Very low | 30 | Very low | 126 Ų | 126 | 118 Ų | 118 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -65.4 | 92.1 | 173.8 | 28.7 | -31.2 | 0 | 0 | 0 | 107.1 | E2094 | P2092-E2094 PolarHBondContact O-N 2.91Š| ||
| 2093 | M | 25.3 | Very low | 29.4 | Very low | 177 Ų | 177 | 124.4 Ų | 124.4 | 87% | 0.872 | 69% | 0.694 | S | S | * | * | trans | -61.9 | 109.3 | 166.2 | -85.8 | -100 | -179.8 | 0 | 0 | 106.2 | P2091 G2095 | P2091-M2093 PolarHBondContact O-N 3.43Å; M2093-G2095 PolarHBondContact O-N 3.22Å | ||
| 2094 | E | 25.8 | Very low | 28.5 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | trans | -46 | 131 | 174.8 | -67.9 | 178 | 137 | 0 | 0 | 111.3 | P2092 | P2092-E2094 PolarHBondContact O-N 2.91Š| ||
| 2095 | G | 25.3 | Very low | 27.8 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 81% | 0.814 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 55.3 | 94.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 119 | M2093 | M2093-G2095 PolarHBondContact O-N 3.22Š|
| 2096 | G | 25.3 | Very low | 27.3 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 93.4 | 127.2 | 135.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2097 | K | 24.5 | Very low | 26.6 | Very low | 204 Ų | 204 | 141.2 Ų | 141.2 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | 65.3 | 118.5 | 171.1 | -59.6 | 176.1 | 179.2 | 176.4 | 0 | 112.3 | ||||
| 2098 | I | 24.7 | Very low | 26 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | -167 | 109.8 | 101.2 | -83.8 | 146.5 | 0 | 0 | 0 | 108.2 | S2100 | I2098-S2100 VanDerWaalsContact CG2-N 3.27Å; I2098-S2100 WeakPolarHBondContact CG2-OG 3.34Å | |||
| 2099 | F | 24.8 | Very low | 25.8 | Very low | 225 Ų | 225 | 144.5 Ų | 144.5 | 99% | 0.987 | 80% | 0.795 | S | S | * | * | trans | -78 | 111.2 | 133.7 | -95.1 | -91.7 | 0 | 0 | 0 | 104.9 | ||||
| 2100 | S | 23 | Very low | 25.7 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | trans | -149.2 | 114.8 | 155.4 | 67.6 | 0 | 0 | 0 | 0 | 108.2 | I2098 | I2098-S2100 VanDerWaalsContact CG2-N 3.27Å; I2098-S2100 WeakPolarHBondContact CG2-OG 3.34Å | ||
| 2101 | E | 24.3 | Very low | 26.1 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -49.4 | 158.7 | 166 | -63.4 | 167 | 140.5 | 0 | 0 | 111.6 | ||||
| 2102 | S | 22 | Very low | 26.7 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 97 | 93.1 | 171.2 | 79.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2103 | R | 22.1 | Very low | 26.8 | Very low | 240 Ų | 240 | 133.5 Ų | 133.5 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 152.6 | 78.8 | 140.1 | -84.8 | 178.5 | -166 | -167.1 | 4.6 | 109.3 | ||
| 2104 | L | 24.9 | Very low | 27.6 | Very low | 174 Ų | 174 | 128.2 Ų | 128.2 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | 177.8 | 60.5 | 156.6 | -96.4 | 157.6 | 0 | 0 | 0 | 107.3 | ||||
| 2105 | V | 23 | Very low | 28.5 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 90% | 0.903 | 74% | 0.738 | S | S | * | * | trans | -135 | 82.7 | 168 | -177.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 2106 | S | 23.8 | Very low | 29.3 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -165.2 | 121.1 | 153.8 | 54.8 | 0 | 0 | 0 | 0 | 106.6 | ||
| 2107 | S | 25.6 | Very low | 30.7 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 79.3 | 62.5 | 177.1 | 78.2 | 0 | 0 | 0 | 0 | 119.3 | ||
| 2108 | V | 27 | Very low | 32.4 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | trans | -139.1 | 125 | 153.1 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | S2112 | V2108-S2112 WeakPolarHBondContact CG1-OG 3.17Š| ||
| 2109 | D | 28.6 | Very low | 34.5 | Very low | 111 Ų | 111 | 116.8 Ų | 116.8 | 59% | 0.594 | 68% | 0.677 | S | S | * | * | trans | -58.3 | 142.1 | 178.4 | -61.6 | -54.6 | 0 | 0 | 0 | 113.3 | S2111 S2112 | D2109-S2111 PolarHBondContact O-N 3.11Å; D2109-S2112 PolarHBondContact O-OG 3.42Å | ||
| 2110 | G | 31.8 | Very low | 36.6 | Very low | 74 Ų | 74 | 108.1 Ų | 108.1 | 76% | 0.763 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 10.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 2111 | S | 38.3 | Very low | 38.9 | Very low | 98 Ų | 98 | 107 Ų | 107 | 69% | 0.685 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -24.9 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 114 | D2109 | D2109-S2111 PolarHBondContact O-N 3.11Š|
| 2112 | S | 38.9 | Very low | 41.5 | Very low | 52 Ų | 52 | 101.1 Ų | 101.1 | 36% | 0.364 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -85.8 | -18 | 179.5 | 41.1 | 0 | 0 | 0 | 0 | 113.2 | V2108 D2109 A2114 | V2108-S2112 WeakPolarHBondContact CG1-OG 3.17Å; D2109-S2112 PolarHBondContact O-OG 3.42Å; S2112-A2114 VanDerWaalsContact C-N 3.32Å; S2112-A2114 PolarHBondContact O-N 3.41Å |
| 2113 | A | 34.8 | Very low | 44.1 | Very low | 70 Ų | 70 | 96.4 Ų | 96.4 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -22.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 2114 | A | 40.6 | Very low | 46.6 | Very low | 66 Ų | 66 | 85.3 Ų | 85.3 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -32.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S2112 S2117 | S2112-A2114 VanDerWaalsContact C-N 3.32Å; S2112-A2114 PolarHBondContact O-N 3.41Å; A2114-S2117 PolarHBondContact O-N 3.44Å; A2114-S2117 PolarHBondContact O-OG 3.48Å |
| 2115 | R | 44.4 | Very low | 49.3 | Very low | 102 Ų | 102 | 81 Ų | 81 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -73.5 | -26.1 | -178.7 | -71.2 | -176 | 179.3 | 169.8 | -4.6 | 113.7 | W1960 D2017 S2117 | W1960-R2115 HydrophobicContact CH2-CB 4.44Å; W1960-R2115 HydrophobicContact CH2-CG 3.92Å; W1960-R2115 HydrophobicContact CZ3-CG 4.07Å; D2017-R2115 IonicContact OD2-NH1 2.67Å; D2017-R2115 PolarHBondContact OD2-NH1 2.58Å; R2115-S2117 PolarHBondContact O-N 3.34Å |
| 2116 | L | 43.8 | Very low | 52.2 | Low | 159 Ų | 159 | 78.3 Ų | 78.3 | 83% | 0.832 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -76.3 | -0.6 | 177.2 | -75.7 | 156.8 | 0 | 0 | 0 | 113.8 | ||
| 2117 | S | 52.9 | Low | 54.9 | Low | 63 Ų | 63 | 74.4 Ų | 74.4 | 44% | 0.441 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -96.1 | 4.2 | -178.7 | 73.5 | 0 | 0 | 0 | 0 | 115.4 | K1963 A2114 R2115 | K1963-S2117 PolarHBondContact NZ-O 3.16Å; A2114-S2117 PolarHBondContact O-N 3.44Å; A2114-S2117 PolarHBondContact O-OG 3.48Å; R2115-S2117 PolarHBondContact O-N 3.34Å |
| 2118 | M | 60.8 | Low | 57.6 | Low | 26 Ų | 26 | 69.1 Ų | 69.1 | 13% | 0.128 | 41% | 0.414 | C | S | . | . | trans | -89.5 | 127.2 | -179.8 | -79 | 176.4 | 40 | 0 | 0 | 112 | W1960 K1963 F1966 M2120 | W1960-M2118 HydrophobicContact CE3-SD 4.18Å; W1960-M2118 HydrophobicContact CH2-CE 4.14Å; W1960-M2118 HydrophobicContact CH2-SD 3.41Å; W1960-M2118 WeakPolarHBondContact CH2-SD 3.45Å; W1960-M2118 HydrophobicContact CZ2-CE 4.27Å; W1960-M2118 HydrophobicContact CZ2-SD 4.09Å; W1960-M2118 HydrophobicContact CZ3-SD 3.46Å; W1960-M2118 WeakPolarHBondContact CZ3-SD 3.44Å; K1963-M2118 HydrophobicContact CG-CG 4.31Å; F1966-M2118 HydrophobicContact CB-CE 4.29Å; F1966-M2118 HydrophobicContact CB-SD 4.11Å; F1966-M2118 HydrophobicContact CD1-CE 3.54Å; F1966-M2118 HydrophobicContact CD1-SD 4.2Å; F1966-M2118 HydrophobicContact CD2-CE 3.36Å; F1966-M2118 HydrophobicContact CD2-SD 4.2Å; F1966-M2118 HydrophobicContact CE1-CE 3.58Å; F1966-M2118 HydrophobicContact CE2-CE 3.37Å; F1966-M2118 HydrophobicContact CG-CE 3.44Å; F1966-M2118 VanDerWaalsContact CG-CE 3.44Å; F1966-M2118 HydrophobicContact CG-SD 3.91Å; F1966-M2118 HydrophobicContact CZ-CE 3.49Å; F1966-M2118 VanDerWaalsContact CZ-CE 3.49Å; M2118-M2120 VanDerWaalsContact C-N 3.32Å; M2118-M2120 HydrophobicContact CE-CG 4.41Å; M2118-M2120 PolarHBondContact O-N 3.25Å | ||
| 2119 | D | 68.3 | Low | 60.3 | Low | 99 Ų | 99 | 67.8 Ų | 67.8 | 53% | 0.529 | 40% | 0.402 | S | S | . | . | trans | -83.6 | 69.8 | 177.3 | -172.1 | 0.5 | 0 | 0 | 0 | 111.3 | Q2121 S2122 | D2119-Q2121 PolarHBondContact O-N 3.35Å; D2119-Q2121 VanDerWaalsContact O-N 3.16Å; D2119-Q2121 PolarHBondContact OD1-N 2.82Å; D2119-S2122 PolarHBondContact O-N 2.96Å; D2119-S2122 PolarHBondContact O-OG 3.06Å; D2119-S2122 PolarHBondContact OD1-N 2.79Å | ||
| 2120 | M | 70.4 | Confident | 63 | Low | 43 Ų | 43 | 63.9 Ų | 63.9 | 21% | 0.212 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.6 | -23.4 | 177.3 | -75.3 | -151.5 | -82.4 | 0 | 0 | 113.1 | F2012 M2118 C2123 L2124 | F2012-M2120 HydrophobicContact CD1-CG 4.4Å; F2012-M2120 HydrophobicContact CD1-SD 3.63Å; F2012-M2120 HydrophobicContact CE1-CB 4.32Å; F2012-M2120 HydrophobicContact CE1-CG 4.16Å; F2012-M2120 HydrophobicContact CE1-SD 3.99Å; M2118-M2120 VanDerWaalsContact C-N 3.32Å; M2118-M2120 HydrophobicContact CE-CG 4.41Å; M2118-M2120 PolarHBondContact O-N 3.25Å; M2120-C2123 PolarHBondContact O-N 3.04Å; M2120-L2124 PolarHBondContact O-N 3.11Å |
| 2121 | Q | 70.9 | Confident | 65.4 | Low | 71 Ų | 71 | 60.7 Ų | 60.7 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | -177.2 | -149 | 71.9 | 34 | 0 | 0 | 111.9 | D2119 H2125 | D2119-Q2121 PolarHBondContact O-N 3.35Å; D2119-Q2121 VanDerWaalsContact O-N 3.16Å; D2119-Q2121 PolarHBondContact OD1-N 2.82Å; Q2121-H2125 PolarHBondContact O-N 3.34Å; Q2121-H2125 VanDerWaalsContact O-N 3.09Å |
| 2122 | S | 78 | Confident | 67.6 | Low | 61 Ų | 61 | 59.1 Ų | 59.1 | 43% | 0.427 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 174.6 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | D2119 H2125 F2126 | D2119-S2122 PolarHBondContact O-N 2.96Å; D2119-S2122 PolarHBondContact O-OG 3.06Å; D2119-S2122 PolarHBondContact OD1-N 2.79Å; S2122-H2125 WeakPolarHBondContact O-CB 3.46Å; S2122-H2125 PolarHBondContact O-N 3.13Å; S2122-F2126 PolarHBondContact O-N 3.4Å; S2122-F2126 VanDerWaalsContact O-N 3.11Å |
| 2123 | C | 77.5 | Confident | 69.8 | Low | 15 Ų | 15 | 62.1 Ų | 62.1 | 10% | 0.101 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.7 | -37.5 | 179.5 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | W1970 F2012 M2120 F2126 L2127 | W1970-C2123 HydrophobicContact CH2-CB 3.77Å; W1970-C2123 HydrophobicContact CZ2-CB 3.64Å; W1970-C2123 HydrophobicContact CZ3-CB 4.31Å; F2012-C2123 HydrophobicContact CE1-CB 4.12Å; F2012-C2123 HydrophobicContact CZ-CB 3.56Å; M2120-C2123 PolarHBondContact O-N 3.04Å; C2123-F2126 PolarHBondContact O-N 3.06Å; C2123-L2127 PolarHBondContact O-N 2.79Å |
| 2124 | L | 75.2 | Confident | 72.1 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 173.8 | -78.7 | 161.4 | 0 | 0 | 0 | 111.8 | F2012 M2120 F2126 L2127 V2128 L2160 L2161 | F2012-L2124 HydrophobicContact CE1-CG 4.48Å; M2120-L2124 PolarHBondContact O-N 3.11Å; L2124-F2126 VanDerWaalsContact C-N 3.31Å; L2124-F2126 PolarHBondContact O-N 2.86Å; L2124-L2127 WeakPolarHBondContact O-CB 3.33Å; L2124-L2127 PolarHBondContact O-N 3.37Å; L2124-V2128 WeakPolarHBondContact O-CG2 3.41Å; L2124-V2128 PolarHBondContact O-N 3.4Å; L2124-L2160 HydrophobicContact CD1-CB 3.93Å; L2124-L2160 WeakPolarHBondContact CD1-O 3.35Å; L2124-L2160 HydrophobicContact CD2-CB 4.42Å; L2124-L2161 HydrophobicContact CB-CD2 4.47Å; L2124-L2161 HydrophobicContact CD2-CD2 4.19Å |
| 2125 | H | 81.6 | Confident | 74.1 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 38% | 0.384 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.5 | -45.3 | 173.1 | -118.7 | -75.6 | 0 | 0 | 0 | 111.8 | Q2121 S2122 L2127 V2128 D2129 Y2165 | Q2121-H2125 PolarHBondContact O-N 3.34Å; Q2121-H2125 VanDerWaalsContact O-N 3.09Å; S2122-H2125 WeakPolarHBondContact O-CB 3.46Å; S2122-H2125 PolarHBondContact O-N 3.13Å; H2125-L2127 PolarHBondContact O-N 3.5Å; H2125-V2128 PolarHBondContact O-N 3.06Å; H2125-D2129 PolarHBondContact O-N 3.22Å; H2125-Y2165 AromaticContact CE1-CZ 3.94Å; H2125-Y2165 PolarHBondContact CE1-OH 3.41Å; H2125-Y2165 PolarHBondContact ND1-OH 2.91Å; H2125-Y2165 AromaticContact NE2-CZ 3.98Å; H2125-Y2165 PolarHBondContact NE2-OH 3.43Å |
| 2126 | F | 83.4 | Confident | 75.8 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 176.8 | -172.4 | -82.2 | 0 | 0 | 0 | 112.3 | W1970 L1974 S2122 C2123 L2124 V2128 D2129 L2130 | W1970-F2126 HydrophobicContact CZ2-CD1 4.42Å; L1974-F2126 HydrophobicContact CD2-CD1 3.8Å; L1974-F2126 HydrophobicContact CD2-CE1 3.16Å; L1974-F2126 HydrophobicContact CD2-CZ 3.81Å; L1974-F2126 HydrophobicContact CG-CE1 4.47Å; S2122-F2126 PolarHBondContact O-N 3.4Å; S2122-F2126 VanDerWaalsContact O-N 3.11Å; C2123-F2126 PolarHBondContact O-N 3.06Å; L2124-F2126 VanDerWaalsContact C-N 3.31Å; L2124-F2126 PolarHBondContact O-N 2.86Å; F2126-V2128 VanDerWaalsContact C-N 3.33Å; F2126-V2128 PolarHBondContact O-N 3.15Å; F2126-D2129 PolarHBondContact O-N 3.46Å; F2126-L2130 HydrophobicContact CE1-CB 4.41Å; F2126-L2130 HydrophobicContact CE1-CD1 4.25Å; F2126-L2130 WeakPolarHBondContact O-CB 3.3Å; F2126-L2130 PolarHBondContact O-N 3.39Å |
| 2127 | L | 81.2 | Confident | 77.4 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175.2 | -107 | 163.9 | 0 | 0 | 0 | 111.9 | W1970 I2008 F2012 C2123 L2124 H2125 L2130 V2131 L2157 | W1970-L2127 HydrophobicContact CH2-CD1 4.3Å; W1970-L2127 HydrophobicContact CH2-CG 4.38Å; I2008-L2127 HydrophobicContact CG2-CD1 3.9Å; F2012-L2127 HydrophobicContact CD2-CD1 4.19Å; F2012-L2127 HydrophobicContact CE2-CD1 3.53Å; F2012-L2127 HydrophobicContact CZ-CD1 4.3Å; C2123-L2127 PolarHBondContact O-N 2.79Å; L2124-L2127 WeakPolarHBondContact O-CB 3.33Å; L2124-L2127 PolarHBondContact O-N 3.37Å; H2125-L2127 PolarHBondContact O-N 3.5Å; L2127-L2130 PolarHBondContact O-N 3.5Å; L2127-V2131 VanDerWaalsContact O-CG2 3.3Å; L2127-V2131 WeakPolarHBondContact O-CG2 3.31Å; L2127-V2131 PolarHBondContact O-N 3.46Å; L2127-L2157 HydrophobicContact CD1-CD1 3.99Å |
| 2128 | V | 81.6 | Confident | 78.6 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L2124 H2125 F2126 L2130 V2131 N2132 L2161 Y2165 W2168 | L2124-V2128 WeakPolarHBondContact O-CG2 3.41Å; L2124-V2128 PolarHBondContact O-N 3.4Å; H2125-V2128 PolarHBondContact O-N 3.06Å; F2126-V2128 VanDerWaalsContact C-N 3.33Å; F2126-V2128 PolarHBondContact O-N 3.15Å; V2128-L2130 VanDerWaalsContact C-N 3.34Å; V2128-L2130 PolarHBondContact O-N 3.15Å; V2128-V2131 PolarHBondContact O-N 2.66Å; V2128-N2132 WeakPolarHBondContact O-CB 3.38Å; V2128-N2132 PolarHBondContact O-N 2.88Å; V2128-N2132 PolarHBondContact O-ND2 2.71Å; V2128-L2161 HydrophobicContact CG2-CD2 3.82Å; V2128-Y2165 HydrophobicContact CG1-CD1 4.08Å; V2128-Y2165 HydrophobicContact CG1-CE1 4.1Å; V2128-Y2165 HydrophobicContact CG2-CD1 4.39Å; V2128-W2168 HydrophobicContact CB-CH2 4.18Å; V2128-W2168 HydrophobicContact CB-CZ2 4.46Å; V2128-W2168 HydrophobicContact CB-CZ3 4.42Å; V2128-W2168 HydrophobicContact CG1-CD2 4.15Å; V2128-W2168 HydrophobicContact CG1-CE3 4.2Å; V2128-W2168 HydrophobicContact CG1-CH2 3.94Å; V2128-W2168 HydrophobicContact CG1-CZ2 3.84Å; V2128-W2168 HydrophobicContact CG1-CZ3 4.11Å; V2128-W2168 HydrophobicContact CG2-CE3 4.43Å; V2128-W2168 HydrophobicContact CG2-CH2 4.01Å; V2128-W2168 HydrophobicContact CG2-CZ3 3.85Å |
| 2129 | D | 84 | Confident | 79.3 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 177.2 | -71.2 | -23.3 | 0 | 0 | 0 | 112.3 | H2125 F2126 N2132 H2133 | H2125-D2129 PolarHBondContact O-N 3.22Å; F2126-D2129 PolarHBondContact O-N 3.46Å; D2129-N2132 PolarHBondContact O-N 2.84Å; D2129-H2133 PolarHBondContact O-N 2.95Å |
| 2130 | L | 84.6 | Confident | 79.7 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -46.8 | 177.1 | -169.9 | 81.6 | 0 | 0 | 0 | 111.7 | L1977 F2126 L2127 V2128 N2132 H2133 W2134 | L1977-L2130 HydrophobicContact CD1-CD2 3.96Å; F2126-L2130 HydrophobicContact CE1-CB 4.41Å; F2126-L2130 HydrophobicContact CE1-CD1 4.25Å; F2126-L2130 WeakPolarHBondContact O-CB 3.3Å; F2126-L2130 PolarHBondContact O-N 3.39Å; L2127-L2130 PolarHBondContact O-N 3.5Å; V2128-L2130 VanDerWaalsContact C-N 3.34Å; V2128-L2130 PolarHBondContact O-N 3.15Å; L2130-N2132 VanDerWaalsContact C-N 3.33Å; L2130-N2132 PolarHBondContact O-N 3.22Å; L2130-H2133 WeakPolarHBondContact O-CB 3.47Å; L2130-H2133 PolarHBondContact O-N 2.81Å; L2130-H2133 VanDerWaalsContact O-N 3.15Å; L2130-W2134 HydrophobicContact CD2-CH2 3.88Å; L2130-W2134 HydrophobicContact CD2-CZ2 3.9Å; L2130-W2134 HydrophobicContact CD2-CZ3 4.32Å; L2130-W2134 HydrophobicContact CG-CZ2 4.22Å; L2130-W2134 PolarHBondContact O-N 2.84Å; L2130-W2134 VanDerWaalsContact O-N 3.1Å |
| 2131 | V | 82.9 | Confident | 80.1 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 110 | L2127 V2128 H2133 W2134 F2135 V2154 W2168 I2172 | L2127-V2131 VanDerWaalsContact O-CG2 3.3Å; L2127-V2131 WeakPolarHBondContact O-CG2 3.31Å; L2127-V2131 PolarHBondContact O-N 3.46Å; V2128-V2131 PolarHBondContact O-N 2.66Å; V2131-H2133 VanDerWaalsContact C-N 3.25Å; V2131-H2133 PolarHBondContact O-N 3.38Å; V2131-W2134 PolarHBondContact O-N 3.22Å; V2131-W2134 VanDerWaalsContact O-N 3.12Å; V2131-F2135 HydrophobicContact CG1-CD2 3.66Å; V2131-F2135 HydrophobicContact CG1-CE2 3.83Å; V2131-F2135 WeakPolarHBondContact O-CD2 3.45Å; V2131-F2135 PolarHBondContact O-N 3.45Å; V2131-V2154 HydrophobicContact CG1-CG2 4.5Å; V2131-V2154 HydrophobicContact CG2-CG2 4.28Å; V2131-W2168 HydrophobicContact CB-CH2 4.12Å; V2131-W2168 HydrophobicContact CB-CZ2 4.04Å; V2131-W2168 HydrophobicContact CG1-CH2 4Å; V2131-W2168 HydrophobicContact CG1-CZ2 3.83Å; V2131-I2172 HydrophobicContact CG1-CD1 3.83Å |
| 2132 | N | 84.1 | Confident | 80.5 | Confident | 66 Ų | 66 | 55 Ų | 55 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.3 | -36.7 | 173.6 | -90.1 | -37.6 | 0 | 0 | 0 | 113.3 | V2128 D2129 L2130 K2136 W2168 | V2128-N2132 WeakPolarHBondContact O-CB 3.38Å; V2128-N2132 PolarHBondContact O-N 2.88Å; V2128-N2132 PolarHBondContact O-ND2 2.71Å; D2129-N2132 PolarHBondContact O-N 2.84Å; L2130-N2132 VanDerWaalsContact C-N 3.33Å; L2130-N2132 PolarHBondContact O-N 3.22Å; N2132-K2136 PolarHBondContact O-N 3.2Å; N2132-W2168 VanDerWaalsContact CG-NE1 3.29Å; N2132-W2168 PolarHBondContact ND2-NE1 3.45Å; N2132-W2168 PolarHBondContact OD1-NE1 3.19Å |
| 2133 | H | 84.8 | Confident | 80.5 | Confident | 115 Ų | 115 | 53.5 Ų | 53.5 | 53% | 0.532 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.5 | -175.3 | 69.3 | 0 | 0 | 0 | 112 | D2129 L2130 V2131 K2136 | D2129-H2133 PolarHBondContact O-N 2.95Å; L2130-H2133 WeakPolarHBondContact O-CB 3.47Å; L2130-H2133 PolarHBondContact O-N 2.81Å; L2130-H2133 VanDerWaalsContact O-N 3.15Å; V2131-H2133 VanDerWaalsContact C-N 3.25Å; V2131-H2133 PolarHBondContact O-N 3.38Å; H2133-K2136 WeakPolarHBondContact O-CB 3.45Å; H2133-K2136 PolarHBondContact O-N 2.79Å |
| 2134 | W | 82.7 | Confident | 80.6 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 178 | -68.4 | -13.5 | 0 | 0 | 0 | 113.2 | L1977 T1980 I1982 V2005 L2130 V2131 K2136 I2142 L2146 T2150 | L1977-W2134 HydrophobicContact CD2-CH2 3.62Å; L1977-W2134 HydrophobicContact CD2-CZ2 3.84Å; T1980-W2134 HydrophobicContact CG2-CZ2 4.14Å; I1982-W2134 HydrophobicContact CD1-CG 4.44Å; V2005-W2134 HydrophobicContact CG2-CH2 3.89Å; V2005-W2134 HydrophobicContact CG2-CZ3 4.16Å; L2130-W2134 HydrophobicContact CD2-CH2 3.88Å; L2130-W2134 HydrophobicContact CD2-CZ2 3.9Å; L2130-W2134 HydrophobicContact CD2-CZ3 4.32Å; L2130-W2134 HydrophobicContact CG-CZ2 4.22Å; L2130-W2134 PolarHBondContact O-N 2.84Å; L2130-W2134 VanDerWaalsContact O-N 3.1Å; V2131-W2134 PolarHBondContact O-N 3.22Å; V2131-W2134 VanDerWaalsContact O-N 3.12Å; W2134-K2136 VanDerWaalsContact C-N 3.26Å; W2134-K2136 PolarHBondContact O-N 2.92Å; W2134-I2142 HydrophobicContact CB-CD1 4.21Å; W2134-L2146 HydrophobicContact CH2-CD1 4.46Å; W2134-T2150 HydrophobicContact CE3-CG2 3.74Å; W2134-T2150 HydrophobicContact CH2-CG2 4.33Å; W2134-T2150 HydrophobicContact CZ3-CG2 3.31Å |
| 2135 | F | 82.4 | Confident | 80.7 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 11% | 0.114 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -80.7 | -1.2 | -179.5 | -81.3 | -95 | 0 | 0 | 0 | 114.1 | V2131 Q2137 G2138 P2139 I2142 L2147 I2172 V2176 | V2131-F2135 HydrophobicContact CG1-CD2 3.66Å; V2131-F2135 HydrophobicContact CG1-CE2 3.83Å; V2131-F2135 WeakPolarHBondContact O-CD2 3.45Å; V2131-F2135 PolarHBondContact O-N 3.45Å; F2135-Q2137 VanDerWaalsContact C-N 3.25Å; F2135-Q2137 PolarHBondContact O-N 3Å; F2135-Q2137 VanDerWaalsContact O-N 3.16Å; F2135-G2138 PolarHBondContact O-N 2.96Å; F2135-P2139 HydrophobicContact CD1-CB 4.42Å; F2135-P2139 HydrophobicContact CE1-CB 4.08Å; F2135-I2142 HydrophobicContact CD1-CD1 4.24Å; F2135-I2142 HydrophobicContact CD2-CD1 3.95Å; F2135-I2142 HydrophobicContact CE1-CD1 4.2Å; F2135-I2142 HydrophobicContact CE2-CD1 3.92Å; F2135-I2142 HydrophobicContact CG-CD1 4.13Å; F2135-I2142 HydrophobicContact CZ-CD1 4.05Å; F2135-L2147 HydrophobicContact CE1-CD1 4.15Å; F2135-L2147 HydrophobicContact CZ-CD1 3.71Å; F2135-I2172 HydrophobicContact CD1-CG2 4.15Å; F2135-I2172 HydrophobicContact CE1-CG2 3.81Å; F2135-I2172 HydrophobicContact CE2-CG2 4.27Å; F2135-I2172 HydrophobicContact CZ-CG2 3.87Å; F2135-V2176 HydrophobicContact CE1-CG2 3.65Å; F2135-V2176 HydrophobicContact CZ-CG2 4.16Å |
| 2136 | K | 80.9 | Confident | 80.8 | Confident | 172 Ų | 172 | 55 Ų | 55 | 75% | 0.748 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -61.8 | -26.8 | -172.4 | -151.3 | 178.8 | -172.5 | -178.8 | 0 | 114.5 | N2132 H2133 W2134 | N2132-K2136 PolarHBondContact O-N 3.2Å; H2133-K2136 WeakPolarHBondContact O-CB 3.45Å; H2133-K2136 PolarHBondContact O-N 2.79Å; W2134-K2136 VanDerWaalsContact C-N 3.26Å; W2134-K2136 PolarHBondContact O-N 2.92Å |
| 2137 | Q | 78.1 | Confident | 80.9 | Confident | 117 Ų | 117 | 50.6 Ų | 50.6 | 55% | 0.547 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -101.8 | 3.1 | 176.1 | -69.9 | -171.3 | -51.6 | 0 | 0 | 113.7 | F2135 E2141 | F2135-Q2137 VanDerWaalsContact C-N 3.25Å; F2135-Q2137 PolarHBondContact O-N 3Å; F2135-Q2137 VanDerWaalsContact O-N 3.16Å; Q2137-E2141 PolarHBondContact OE1-OE2 3.03Å |
| 2138 | G | 76.7 | Confident | 80.8 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | trans | 96.3 | 159.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F2135 D2140 | F2135-G2138 PolarHBondContact O-N 2.96Å; G2138-D2140 VanDerWaalsContact C-N 3.29Å; G2138-D2140 PolarHBondContact O-N 3.25Å | ||
| 2139 | P | 77.1 | Confident | 80.6 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -69.5 | -20.3 | -172.7 | 27 | -35.2 | 0 | 0 | 0 | 114.5 | F2135 E2141 I2142 V2176 S2179 | F2135-P2139 HydrophobicContact CD1-CB 4.42Å; F2135-P2139 HydrophobicContact CE1-CB 4.08Å; P2139-E2141 VanDerWaalsContact C-N 3.29Å; P2139-E2141 PolarHBondContact O-N 3.46Å; P2139-I2142 PolarHBondContact O-N 2.93Å; P2139-V2176 HydrophobicContact CB-CG2 4.18Å; P2139-S2179 WeakPolarHBondContact CG-OG 3.13Å |
| 2140 | D | 75.8 | Confident | 80.6 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 56% | 0.556 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -71.4 | -22.2 | -178 | -69 | -37.9 | 0 | 0 | 0 | 113.6 | G2138 I2142 R2180 | G2138-D2140 VanDerWaalsContact C-N 3.29Å; G2138-D2140 PolarHBondContact O-N 3.25Å; D2140-I2142 VanDerWaalsContact C-N 3.29Å; D2140-R2180 IonicContact OD1-NE 3.46Å |
| 2141 | E | 78 | Confident | 80.4 | Confident | 77 Ų | 77 | 44.6 Ų | 44.6 | 36% | 0.36 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -87.4 | 3.6 | 177.3 | -61.5 | -146.6 | 169.5 | 0 | 0 | 113.4 | G1983 L1986 Q2137 P2139 | G1983-E2141 WeakPolarHBondContact CA-OE2 3.36Å; L1986-E2141 VanDerWaalsContact CD1-O 3.23Å; L1986-E2141 WeakPolarHBondContact CD1-O 3.3Å; Q2137-E2141 PolarHBondContact OE1-OE2 3.03Å; P2139-E2141 VanDerWaalsContact C-N 3.29Å; P2139-E2141 PolarHBondContact O-N 3.46Å |
| 2142 | I | 80.2 | Confident | 79.9 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -101.4 | 125.5 | 176.3 | -51.9 | 174.9 | 0 | 0 | 0 | 109.5 | W2134 F2135 P2139 D2140 L2146 L2147 | W2134-I2142 HydrophobicContact CB-CD1 4.21Å; F2135-I2142 HydrophobicContact CD1-CD1 4.24Å; F2135-I2142 HydrophobicContact CD2-CD1 3.95Å; F2135-I2142 HydrophobicContact CE1-CD1 4.2Å; F2135-I2142 HydrophobicContact CE2-CD1 3.92Å; F2135-I2142 HydrophobicContact CG-CD1 4.13Å; F2135-I2142 HydrophobicContact CZ-CD1 4.05Å; P2139-I2142 PolarHBondContact O-N 2.93Å; D2140-I2142 VanDerWaalsContact C-N 3.29Å; I2142-L2146 HydrophobicContact CG2-CB 4.34Å; I2142-L2146 HydrophobicContact CG2-CD2 4.17Å; I2142-L2146 HydrophobicContact CG2-CG 4.43Å; I2142-L2147 HydrophobicContact CB-CB 4.47Å; I2142-L2147 HydrophobicContact CB-CD1 4.31Å; I2142-L2147 HydrophobicContact CD1-CD1 4.18Å; I2142-L2147 HydrophobicContact CG2-CB 4.01Å; I2142-L2147 HydrophobicContact CG2-CD1 4.33Å |
| 2143 | P | 78.9 | Confident | 79.6 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | trans | -65 | 139.1 | 179.7 | 20.9 | -28.5 | 0 | 0 | 0 | 112.5 | L1986 V1998 P2145 L2146 L2147 | L1986-P2143 HydrophobicContact CD2-CG 4.43Å; V1998-P2143 HydrophobicContact CB-CG 4.37Å; V1998-P2143 HydrophobicContact CG1-CB 3.97Å; V1998-P2143 HydrophobicContact CG1-CG 3.79Å; V1998-P2143 HydrophobicContact CG2-CB 4.2Å; V1998-P2143 HydrophobicContact CG2-CG 3.57Å; P2143-P2145 WeakPolarHBondContact O-CD 3.26Å; P2143-P2145 VanDerWaalsContact O-N 3.16Å; P2143-L2146 HydrophobicContact CG-CB 4.38Å; P2143-L2146 WeakPolarHBondContact O-CB 3.13Å; P2143-L2146 PolarHBondContact O-N 3.35Å; P2143-L2147 PolarHBondContact O-N 3.09Å | ||
| 2144 | L | 77.8 | Confident | 79.3 | Confident | 75 Ų | 75 | 38 Ų | 38 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -45.1 | -47.4 | -171 | -162.2 | 78.1 | 0 | 0 | 0 | 115.7 | L2146 L2147 T2148 D2184 M2187 | L2144-L2146 VanDerWaalsContact C-N 3.32Å; L2144-L2146 PolarHBondContact O-N 3.36Å; L2144-L2147 PolarHBondContact O-N 3.31Å; L2144-T2148 PolarHBondContact O-N 3.09Å; L2144-T2148 PolarHBondContact O-OG1 3.44Å; L2144-D2184 WeakPolarHBondContact CD1-OD2 3.39Å; L2144-M2187 HydrophobicContact CD1-CE 3.62Å; L2144-M2187 HydrophobicContact CG-CE 4.38Å |
| 2145 | P | 78.9 | Confident | 78.9 | Confident | 60 Ų | 60 | 37.7 Ų | 37.7 | 39% | 0.39 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.2 | -34.1 | -176.4 | -15.8 | 30.6 | 0 | 0 | 0 | 112.3 | V1998 P2143 T2148 C2149 | V1998-P2145 HydrophobicContact CG1-CB 4.48Å; V1998-P2145 HydrophobicContact CG1-CG 4.35Å; P2143-P2145 WeakPolarHBondContact O-CD 3.26Å; P2143-P2145 VanDerWaalsContact O-N 3.16Å; P2145-T2148 PolarHBondContact O-OG1 2.94Å; P2145-C2149 PolarHBondContact O-N 3.08Å; P2145-C2149 PolarHBondContact O-SG 3.25Å |
| 2146 | L | 84 | Confident | 78.3 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.6 | -46.5 | 176.2 | -171.2 | 69 | 0 | 0 | 0 | 109.4 | T1980 V1998 V2005 W2134 I2142 P2143 L2144 T2148 C2149 T2150 | T1980-L2146 HydrophobicContact CG2-CD2 3.5Å; V1998-L2146 HydrophobicContact CG1-CB 4.27Å; V2005-L2146 HydrophobicContact CG2-CD1 4.37Å; W2134-L2146 HydrophobicContact CH2-CD1 4.46Å; I2142-L2146 HydrophobicContact CG2-CB 4.34Å; I2142-L2146 HydrophobicContact CG2-CD2 4.17Å; I2142-L2146 HydrophobicContact CG2-CG 4.43Å; P2143-L2146 HydrophobicContact CG-CB 4.38Å; P2143-L2146 WeakPolarHBondContact O-CB 3.13Å; P2143-L2146 PolarHBondContact O-N 3.35Å; L2144-L2146 VanDerWaalsContact C-N 3.32Å; L2144-L2146 PolarHBondContact O-N 3.36Å; L2146-T2148 PolarHBondContact O-N 2.95Å; L2146-C2149 PolarHBondContact O-N 3.39Å; L2146-T2150 HydrophobicContact CD1-CG2 4.47Å; L2146-T2150 HydrophobicContact CG-CG2 4.3Å; L2146-T2150 VanDerWaalsContact O-CG2 3.31Å; L2146-T2150 WeakPolarHBondContact O-CG2 3.48Å; L2146-T2150 PolarHBondContact O-N 3.32Å; L2146-T2150 PolarHBondContact O-OG1 2.91Å; L2146-T2150 VanDerWaalsContact O-OG1 3.08Å |
| 2147 | L | 84.6 | Confident | 78 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55 | -51.9 | 179.2 | -174.4 | 66.4 | 0 | 0 | 0 | 111.7 | F2135 I2142 P2143 L2144 C2149 T2150 V2151 M2187 | F2135-L2147 HydrophobicContact CE1-CD1 4.15Å; F2135-L2147 HydrophobicContact CZ-CD1 3.71Å; I2142-L2147 HydrophobicContact CB-CB 4.47Å; I2142-L2147 HydrophobicContact CB-CD1 4.31Å; I2142-L2147 HydrophobicContact CD1-CD1 4.18Å; I2142-L2147 HydrophobicContact CG2-CB 4.01Å; I2142-L2147 HydrophobicContact CG2-CD1 4.33Å; P2143-L2147 PolarHBondContact O-N 3.09Å; L2144-L2147 PolarHBondContact O-N 3.31Å; L2147-C2149 VanDerWaalsContact C-N 3.32Å; L2147-C2149 PolarHBondContact O-N 3.44Å; L2147-T2150 WeakPolarHBondContact CA-OG1 3.16Å; L2147-T2150 PolarHBondContact O-N 3.46Å; L2147-T2150 PolarHBondContact O-OG1 3.05Å; L2147-V2151 HydrophobicContact CD1-CG2 4.44Å; L2147-V2151 WeakPolarHBondContact O-CG2 3.34Å; L2147-V2151 PolarHBondContact O-N 3.41Å; L2147-M2187 HydrophobicContact CD2-CE 3.8Å; L2147-M2187 HydrophobicContact CD2-SD 3.85Å; L2147-M2187 HydrophobicContact CG-CE 4.2Å; L2147-M2187 HydrophobicContact CG-SD 4.1Å |
| 2148 | T | 78.9 | Confident | 77.8 | Confident | 20 Ų | 20 | 26.4 Ų | 26.4 | 12% | 0.123 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.6 | -48.2 | 177.3 | 19.6 | 0 | 0 | 0 | 0 | 111.6 | L2144 P2145 L2146 T2150 V2151 D2152 M2187 | L2144-T2148 PolarHBondContact O-N 3.09Å; L2144-T2148 PolarHBondContact O-OG1 3.44Å; P2145-T2148 PolarHBondContact O-OG1 2.94Å; L2146-T2148 PolarHBondContact O-N 2.95Å; T2148-T2150 VanDerWaalsContact C-N 3.34Å; T2148-T2150 PolarHBondContact O-N 3.47Å; T2148-V2151 PolarHBondContact O-N 3.28Å; T2148-D2152 WeakPolarHBondContact O-CB 3.29Å; T2148-D2152 PolarHBondContact O-N 2.91Å; T2148-M2187 HydrophobicContact CG2-CB 4.16Å; T2148-M2187 HydrophobicContact CG2-CE 3.96Å; T2148-M2187 HydrophobicContact CG2-CG 3.95Å |
| 2149 | C | 78.1 | Confident | 77.1 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.3 | -31 | -175.6 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | K643 P2145 L2146 L2147 A2153 | K643-C2149 WeakPolarHBondContact CE-SG 3.36Å; P2145-C2149 PolarHBondContact O-N 3.08Å; P2145-C2149 PolarHBondContact O-SG 3.25Å; L2146-C2149 PolarHBondContact O-N 3.39Å; L2147-C2149 VanDerWaalsContact C-N 3.32Å; L2147-C2149 PolarHBondContact O-N 3.44Å; C2149-A2153 VanDerWaalsContact O-CB 3.28Å; C2149-A2153 WeakPolarHBondContact O-CB 3.37Å; C2149-A2153 PolarHBondContact O-N 3.08Å |
| 2150 | T | 83.8 | Confident | 76.7 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.8 | -42.2 | 173.6 | 52.4 | 0 | 0 | 0 | 0 | 112 | V2005 W2134 L2146 L2147 T2148 A2153 V2154 | V2005-T2150 HydrophobicContact CG1-CG2 4.33Å; V2005-T2150 HydrophobicContact CG2-CG2 4.21Å; W2134-T2150 HydrophobicContact CE3-CG2 3.74Å; W2134-T2150 HydrophobicContact CH2-CG2 4.33Å; W2134-T2150 HydrophobicContact CZ3-CG2 3.31Å; L2146-T2150 HydrophobicContact CD1-CG2 4.47Å; L2146-T2150 HydrophobicContact CG-CG2 4.3Å; L2146-T2150 VanDerWaalsContact O-CG2 3.31Å; L2146-T2150 WeakPolarHBondContact O-CG2 3.48Å; L2146-T2150 PolarHBondContact O-N 3.32Å; L2146-T2150 PolarHBondContact O-OG1 2.91Å; L2146-T2150 VanDerWaalsContact O-OG1 3.08Å; L2147-T2150 WeakPolarHBondContact CA-OG1 3.16Å; L2147-T2150 PolarHBondContact O-N 3.46Å; L2147-T2150 PolarHBondContact O-OG1 3.05Å; T2148-T2150 VanDerWaalsContact C-N 3.34Å; T2148-T2150 PolarHBondContact O-N 3.47Å; T2150-A2153 PolarHBondContact O-N 3.43Å; T2150-V2154 WeakPolarHBondContact O-CB 3.27Å; T2150-V2154 VanDerWaalsContact O-CG2 3.28Å; T2150-V2154 WeakPolarHBondContact O-CG2 3.48Å; T2150-V2154 PolarHBondContact O-N 2.94Å |
| 2151 | V | 80.2 | Confident | 76.3 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -48.3 | 174.4 | 171.8 | 0 | 0 | 0 | 0 | 109.8 | L2147 T2148 A2153 V2154 V2155 L2173 V2191 | L2147-V2151 HydrophobicContact CD1-CG2 4.44Å; L2147-V2151 WeakPolarHBondContact O-CG2 3.34Å; L2147-V2151 PolarHBondContact O-N 3.41Å; T2148-V2151 PolarHBondContact O-N 3.28Å; V2151-A2153 VanDerWaalsContact C-N 3.35Å; V2151-A2153 PolarHBondContact O-N 3.43Å; V2151-V2154 PolarHBondContact O-N 2.95Å; V2151-V2155 HydrophobicContact CG1-CG2 4.38Å; V2151-V2155 WeakPolarHBondContact O-CB 3.49Å; V2151-V2155 VanDerWaalsContact O-CG2 3.28Å; V2151-V2155 WeakPolarHBondContact O-CG2 3.5Å; V2151-V2155 PolarHBondContact O-N 3.48Å; V2151-L2173 HydrophobicContact CG1-CD2 4.12Å; V2151-V2191 HydrophobicContact CG1-CG2 3.75Å |
| 2152 | D | 72.3 | Confident | 75.7 | Confident | 23 Ų | 23 | 28 Ų | 28 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.7 | -48.9 | 175.6 | -71.5 | -11.8 | 0 | 0 | 0 | 111.3 | T2148 V2154 V2155 Y2156 T2190 | T2148-D2152 WeakPolarHBondContact O-CB 3.29Å; T2148-D2152 PolarHBondContact O-N 2.91Å; D2152-V2154 PolarHBondContact O-N 3.41Å; D2152-V2155 PolarHBondContact O-N 3.39Å; D2152-Y2156 HydrophobicContact CB-CD2 4.19Å; D2152-Y2156 HydrophobicContact CB-CE2 3.92Å; D2152-Y2156 WeakPolarHBondContact O-CB 3.36Å; D2152-Y2156 WeakPolarHBondContact O-CD2 3.38Å; D2152-Y2156 VanDerWaalsContact O-CG 3.29Å; D2152-Y2156 PolarHBondContact O-N 3.28Å; D2152-T2190 WeakPolarHBondContact OD1-CG2 3.25Å |
| 2153 | A | 77.2 | Confident | 75 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | V2005 C2009 C2149 T2150 V2151 V2155 Y2156 L2157 | V2005-A2153 HydrophobicContact CG1-CB 3.65Å; C2009-A2153 HydrophobicContact CB-CB 4.02Å; C2149-A2153 VanDerWaalsContact O-CB 3.28Å; C2149-A2153 WeakPolarHBondContact O-CB 3.37Å; C2149-A2153 PolarHBondContact O-N 3.08Å; T2150-A2153 PolarHBondContact O-N 3.43Å; V2151-A2153 VanDerWaalsContact C-N 3.35Å; V2151-A2153 PolarHBondContact O-N 3.43Å; A2153-V2155 VanDerWaalsContact C-N 3.35Å; A2153-Y2156 PolarHBondContact O-N 3.42Å; A2153-L2157 VanDerWaalsContact O-CB 3.3Å; A2153-L2157 WeakPolarHBondContact O-CB 3.28Å; A2153-L2157 VanDerWaalsContact O-CG 3.23Å; A2153-L2157 WeakPolarHBondContact O-CG 3.48Å; A2153-L2157 PolarHBondContact O-N 3.39Å |
| 2154 | V | 79.2 | Confident | 74.6 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 175.9 | 171 | 0 | 0 | 0 | 0 | 110.6 | V2131 T2150 V2151 D2152 L2157 L2158 V2169 | V2131-V2154 HydrophobicContact CG1-CG2 4.5Å; V2131-V2154 HydrophobicContact CG2-CG2 4.28Å; T2150-V2154 WeakPolarHBondContact O-CB 3.27Å; T2150-V2154 VanDerWaalsContact O-CG2 3.28Å; T2150-V2154 WeakPolarHBondContact O-CG2 3.48Å; T2150-V2154 PolarHBondContact O-N 2.94Å; V2151-V2154 PolarHBondContact O-N 2.95Å; D2152-V2154 PolarHBondContact O-N 3.41Å; V2154-L2157 PolarHBondContact O-N 2.9Å; V2154-L2158 PolarHBondContact O-N 3.32Å; V2154-V2169 HydrophobicContact CG1-CG1 3.88Å; V2154-V2169 HydrophobicContact CG1-CG2 4.23Å |
| 2155 | V | 75.2 | Confident | 74.6 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.2 | -37 | 177.5 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | V2151 D2152 A2153 L2158 L2173 F2193 | V2151-V2155 HydrophobicContact CG1-CG2 4.38Å; V2151-V2155 WeakPolarHBondContact O-CB 3.49Å; V2151-V2155 VanDerWaalsContact O-CG2 3.28Å; V2151-V2155 WeakPolarHBondContact O-CG2 3.5Å; V2151-V2155 PolarHBondContact O-N 3.48Å; D2152-V2155 PolarHBondContact O-N 3.39Å; A2153-V2155 VanDerWaalsContact C-N 3.35Å; V2155-L2158 WeakPolarHBondContact O-CB 3.37Å; V2155-L2173 HydrophobicContact CG2-CD2 4.38Å; V2155-F2193 HydrophobicContact CG1-CD1 3.87Å; V2155-F2193 HydrophobicContact CG1-CE1 4.18Å |
| 2156 | Y | 69.9 | Low | 74.2 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 26% | 0.255 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -73.2 | -33.1 | 176.1 | -71.5 | -48.7 | 0 | 0 | 0 | 113.5 | F2083 D2152 A2153 L2158 | F2083-Y2156 AromaticContact CE1-CD1 3.89Å; F2083-Y2156 HydrophobicContact CE1-CD1 3.89Å; F2083-Y2156 AromaticContact CE1-CE1 3.91Å; F2083-Y2156 HydrophobicContact CE1-CE1 3.91Å; F2083-Y2156 HydrophobicContact CZ-CD1 4.21Å; F2083-Y2156 AromaticContact CZ-CE1 3.74Å; F2083-Y2156 HydrophobicContact CZ-CE1 3.74Å; D2152-Y2156 HydrophobicContact CB-CD2 4.19Å; D2152-Y2156 HydrophobicContact CB-CE2 3.92Å; D2152-Y2156 WeakPolarHBondContact O-CB 3.36Å; D2152-Y2156 WeakPolarHBondContact O-CD2 3.38Å; D2152-Y2156 VanDerWaalsContact O-CG 3.29Å; D2152-Y2156 PolarHBondContact O-N 3.28Å; A2153-Y2156 PolarHBondContact O-N 3.42Å; Y2156-L2158 VanDerWaalsContact C-N 3.34Å |
| 2157 | L | 73.1 | Confident | 73.8 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -87.5 | -2 | -179.7 | -66.2 | 172.6 | 0 | 0 | 0 | 113.7 | F2012 L2127 A2153 V2154 D2159 L2160 L2161 | F2012-L2157 HydrophobicContact CB-CD2 3.59Å; F2012-L2157 HydrophobicContact CD2-CD1 4.48Å; F2012-L2157 HydrophobicContact CD2-CD2 4.35Å; F2012-L2157 HydrophobicContact CG-CD2 4.15Å; L2127-L2157 HydrophobicContact CD1-CD1 3.99Å; A2153-L2157 VanDerWaalsContact O-CB 3.3Å; A2153-L2157 WeakPolarHBondContact O-CB 3.28Å; A2153-L2157 VanDerWaalsContact O-CG 3.23Å; A2153-L2157 WeakPolarHBondContact O-CG 3.48Å; A2153-L2157 PolarHBondContact O-N 3.39Å; V2154-L2157 PolarHBondContact O-N 2.9Å; L2157-D2159 PolarHBondContact O-N 3.42Å; L2157-D2159 VanDerWaalsContact O-N 3.1Å; L2157-L2160 HydrophobicContact CD2-CD1 3.75Å; L2157-L2160 WeakPolarHBondContact O-CB 3.19Å; L2157-L2160 PolarHBondContact O-N 3.01Å; L2157-L2161 PolarHBondContact O-N 3.14Å |
| 2158 | L | 73.9 | Confident | 73.7 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.6 | -176.2 | -129.7 | 149.2 | 0 | 0 | 0 | 113.1 | V2154 V2155 Y2156 L2160 L2166 V2169 | V2154-L2158 PolarHBondContact O-N 3.32Å; V2155-L2158 WeakPolarHBondContact O-CB 3.37Å; Y2156-L2158 VanDerWaalsContact C-N 3.34Å; L2158-L2160 VanDerWaalsContact C-N 3.33Å; L2158-L2160 PolarHBondContact O-N 3.19Å; L2158-L2166 HydrophobicContact CD2-CD2 3.47Å; L2158-L2166 VanDerWaalsContact CD2-CD2 3.47Å; L2158-V2169 HydrophobicContact CD1-CG1 3.85Å; L2158-V2169 HydrophobicContact CG-CG1 4.36Å |
| 2159 | D | 62.7 | Low | 73.7 | Confident | 69 Ų | 69 | 39.5 Ų | 39.5 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -15.1 | 177.8 | -62.4 | -35.1 | 0 | 0 | 0 | 114.2 | L2157 K2197 | L2157-D2159 PolarHBondContact O-N 3.42Å; L2157-D2159 VanDerWaalsContact O-N 3.1Å; D2159-K2197 WeakPolarHBondContact OD1-CE 3.46Å; D2159-K2197 IonicContact OD1-NZ 3.92Å; D2159-K2197 PolarHBondContact OD1-NZ 3.27Å; D2159-K2197 IonicContact OD2-NZ 3.92Å; D2159-K2197 PolarHBondContact OD2-NZ 3.41Å |
| 2160 | L | 68.4 | Low | 73.7 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 24% | 0.236 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -14.1 | 178 | -72.6 | 159.4 | 0 | 0 | 0 | 112.6 | F2012 V2016 L2124 L2157 L2158 | F2012-L2160 HydrophobicContact CB-CD1 4.45Å; V2016-L2160 HydrophobicContact CG2-CD1 4.44Å; V2016-L2160 HydrophobicContact CG2-CD2 3.97Å; L2124-L2160 HydrophobicContact CD1-CB 3.93Å; L2124-L2160 WeakPolarHBondContact CD1-O 3.35Å; L2124-L2160 HydrophobicContact CD2-CB 4.42Å; L2157-L2160 HydrophobicContact CD2-CD1 3.75Å; L2157-L2160 WeakPolarHBondContact O-CB 3.19Å; L2157-L2160 PolarHBondContact O-N 3.01Å; L2158-L2160 VanDerWaalsContact C-N 3.33Å; L2158-L2160 PolarHBondContact O-N 3.19Å |
| 2161 | L | 67.3 | Low | 73.6 | Confident | 31 Ų | 31 | 45.5 Ų | 45.5 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -81.3 | 140.8 | -177.9 | -73.3 | 165.6 | 0 | 0 | 0 | 111.5 | L2124 V2128 L2157 Y2165 V2169 | L2124-L2161 HydrophobicContact CB-CD2 4.47Å; L2124-L2161 HydrophobicContact CD2-CD2 4.19Å; V2128-L2161 HydrophobicContact CG2-CD2 3.82Å; L2157-L2161 PolarHBondContact O-N 3.14Å; L2161-Y2165 HydrophobicContact CD2-CD2 4.39Å; L2161-V2169 HydrophobicContact CD1-CG2 4.29Å |
| 2162 | K | 65.3 | Low | 73.6 | Confident | 108 Ų | 108 | 46 Ų | 46 | 47% | 0.47 | 22% | 0.224 | S | C | . | . | trans | -62.2 | 147.4 | 173 | -84 | 178 | 178.8 | -179 | 0 | 110.5 | D2164 Y2165 | K2162-D2164 PolarHBondContact O-N 3.25Å; K2162-Y2165 HydrophobicContact CB-CD2 4Å; K2162-Y2165 HydrophobicContact CB-CE2 4.21Å; K2162-Y2165 PolarHBondContact O-N 3.24Å | ||
| 2163 | H | 65.7 | Low | 74 | Confident | 118 Ų | 118 | 45 Ų | 45 | 55% | 0.546 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -50.3 | -31.2 | 177.5 | -78.5 | -65 | 0 | 0 | 0 | 114.3 | Y2165 L2166 F2201 | H2163-Y2165 PolarHBondContact O-N 2.59Å; H2163-Y2165 VanDerWaalsContact O-N 3.17Å; H2163-L2166 HydrophobicContact CB-CD1 4.37Å; H2163-L2166 WeakPolarHBondContact ND1-CD1 3.46Å; H2163-L2166 WeakPolarHBondContact O-CB 3.19Å; H2163-L2166 PolarHBondContact O-N 3.07Å; H2163-F2201 AromaticContact CE1-CD1 3.62Å; H2163-F2201 AromaticContact CE1-CE1 3.66Å |
| 2164 | D | 70.8 | Confident | 74.2 | Confident | 136 Ų | 136 | 48.6 Ų | 48.6 | 73% | 0.727 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -61.8 | -20.7 | 178.5 | -55.9 | -25.9 | 0 | 0 | 0 | 113.6 | K2162 | K2162-D2164 PolarHBondContact O-N 3.25Š|
| 2165 | Y | 76.4 | Confident | 74.2 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 18% | 0.18 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -90.9 | -7.2 | 178.9 | -65.2 | -66.8 | 0 | 0 | 0 | 114.4 | H2125 V2128 L2161 K2162 H2163 D2167 W2168 V2169 | H2125-Y2165 AromaticContact CE1-CZ 3.94Å; H2125-Y2165 PolarHBondContact CE1-OH 3.41Å; H2125-Y2165 PolarHBondContact ND1-OH 2.91Å; H2125-Y2165 AromaticContact NE2-CZ 3.98Å; H2125-Y2165 PolarHBondContact NE2-OH 3.43Å; V2128-Y2165 HydrophobicContact CG1-CD1 4.08Å; V2128-Y2165 HydrophobicContact CG1-CE1 4.1Å; V2128-Y2165 HydrophobicContact CG2-CD1 4.39Å; L2161-Y2165 HydrophobicContact CD2-CD2 4.39Å; K2162-Y2165 HydrophobicContact CB-CD2 4Å; K2162-Y2165 HydrophobicContact CB-CE2 4.21Å; K2162-Y2165 PolarHBondContact O-N 3.24Å; H2163-Y2165 PolarHBondContact O-N 2.59Å; H2163-Y2165 VanDerWaalsContact O-N 3.17Å; Y2165-D2167 VanDerWaalsContact C-N 3.33Å; Y2165-D2167 PolarHBondContact O-N 2.91Å; Y2165-W2168 WeakPolarHBondContact O-CB 3.48Å; Y2165-W2168 PolarHBondContact O-N 3Å; Y2165-W2168 VanDerWaalsContact O-N 3.17Å; Y2165-V2169 WeakPolarHBondContact O-CG2 3.46Å; Y2165-V2169 PolarHBondContact O-N 3.09Å |
| 2166 | L | 71.6 | Confident | 74.4 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66 | -35.1 | -176.5 | -75.1 | 165.7 | 0 | 0 | 0 | 113 | L2158 H2163 W2168 V2169 C2170 F2201 | L2158-L2166 HydrophobicContact CD2-CD2 3.47Å; L2158-L2166 VanDerWaalsContact CD2-CD2 3.47Å; H2163-L2166 HydrophobicContact CB-CD1 4.37Å; H2163-L2166 WeakPolarHBondContact ND1-CD1 3.46Å; H2163-L2166 WeakPolarHBondContact O-CB 3.19Å; H2163-L2166 PolarHBondContact O-N 3.07Å; L2166-W2168 VanDerWaalsContact C-N 3.3Å; L2166-V2169 PolarHBondContact O-N 3.2Å; L2166-C2170 PolarHBondContact O-N 3.47Å; L2166-F2201 HydrophobicContact CD1-CB 3.78Å; L2166-F2201 HydrophobicContact CD1-CD1 4.5Å; L2166-F2201 HydrophobicContact CD1-CG 4.13Å |
| 2167 | D | 74.7 | Confident | 74.6 | Confident | 79 Ų | 79 | 49.5 Ų | 49.5 | 42% | 0.422 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 173.7 | -82.8 | -36.5 | 0 | 0 | 0 | 111 | Y2165 C2170 E2171 K2202 | Y2165-D2167 VanDerWaalsContact C-N 3.33Å; Y2165-D2167 PolarHBondContact O-N 2.91Å; D2167-C2170 WeakPolarHBondContact O-CB 3.26Å; D2167-C2170 PolarHBondContact O-N 3.33Å; D2167-E2171 PolarHBondContact O-N 3.18Å; D2167-E2171 VanDerWaalsContact O-N 3.09Å; D2167-K2202 WeakPolarHBondContact OD1-CE 3.41Å; D2167-K2202 IonicContact OD1-NZ 2.71Å; D2167-K2202 PolarHBondContact OD1-NZ 2.9Å |
| 2168 | W | 82.9 | Confident | 74.7 | Confident | 35 Ų | 35 | 56.5 Ų | 56.5 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 176.7 | 167.5 | 77 | 0 | 0 | 0 | 112.8 | V2128 V2131 N2132 Y2165 L2166 C2170 E2171 I2172 | V2128-W2168 HydrophobicContact CB-CH2 4.18Å; V2128-W2168 HydrophobicContact CB-CZ2 4.46Å; V2128-W2168 HydrophobicContact CB-CZ3 4.42Å; V2128-W2168 HydrophobicContact CG1-CD2 4.15Å; V2128-W2168 HydrophobicContact CG1-CE3 4.2Å; V2128-W2168 HydrophobicContact CG1-CH2 3.94Å; V2128-W2168 HydrophobicContact CG1-CZ2 3.84Å; V2128-W2168 HydrophobicContact CG1-CZ3 4.11Å; V2128-W2168 HydrophobicContact CG2-CE3 4.43Å; V2128-W2168 HydrophobicContact CG2-CH2 4.01Å; V2128-W2168 HydrophobicContact CG2-CZ3 3.85Å; V2131-W2168 HydrophobicContact CB-CH2 4.12Å; V2131-W2168 HydrophobicContact CB-CZ2 4.04Å; V2131-W2168 HydrophobicContact CG1-CH2 4Å; V2131-W2168 HydrophobicContact CG1-CZ2 3.83Å; N2132-W2168 VanDerWaalsContact CG-NE1 3.29Å; N2132-W2168 PolarHBondContact ND2-NE1 3.45Å; N2132-W2168 PolarHBondContact OD1-NE1 3.19Å; Y2165-W2168 WeakPolarHBondContact O-CB 3.48Å; Y2165-W2168 PolarHBondContact O-N 3Å; Y2165-W2168 VanDerWaalsContact O-N 3.17Å; L2166-W2168 VanDerWaalsContact C-N 3.3Å; W2168-C2170 VanDerWaalsContact C-N 3.34Å; W2168-C2170 PolarHBondContact O-N 3.39Å; W2168-E2171 PolarHBondContact O-N 3.32Å; W2168-I2172 HydrophobicContact CD2-CD1 4.15Å; W2168-I2172 HydrophobicContact CH2-CD1 3.98Å; W2168-I2172 HydrophobicContact CZ2-CD1 3.24Å; W2168-I2172 PolarHBondContact O-N 2.83Å; W2168-I2172 VanDerWaalsContact O-N 3.11Å |
| 2169 | V | 79.9 | Confident | 74.5 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | V2154 L2158 L2161 Y2165 L2166 I2172 L2173 | V2154-V2169 HydrophobicContact CG1-CG1 3.88Å; V2154-V2169 HydrophobicContact CG1-CG2 4.23Å; L2158-V2169 HydrophobicContact CD1-CG1 3.85Å; L2158-V2169 HydrophobicContact CG-CG1 4.36Å; L2161-V2169 HydrophobicContact CD1-CG2 4.29Å; Y2165-V2169 WeakPolarHBondContact O-CG2 3.46Å; Y2165-V2169 PolarHBondContact O-N 3.09Å; L2166-V2169 PolarHBondContact O-N 3.2Å; V2169-I2172 PolarHBondContact O-N 3.39Å; V2169-L2173 HydrophobicContact CG1-CD1 3.79Å; V2169-L2173 HydrophobicContact CG1-CG 4.21Å; V2169-L2173 WeakPolarHBondContact O-CG 3.16Å; V2169-L2173 PolarHBondContact O-N 2.89Å |
| 2170 | C | 77.4 | Confident | 74.6 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.6 | -51.1 | 173.6 | -98.8 | 0 | 0 | 0 | 0 | 111.6 | L2166 D2167 W2168 I2172 L2173 E2174 C2198 | L2166-C2170 PolarHBondContact O-N 3.47Å; D2167-C2170 WeakPolarHBondContact O-CB 3.26Å; D2167-C2170 PolarHBondContact O-N 3.33Å; W2168-C2170 VanDerWaalsContact C-N 3.34Å; W2168-C2170 PolarHBondContact O-N 3.39Å; C2170-I2172 VanDerWaalsContact C-N 3.32Å; C2170-I2172 PolarHBondContact O-N 3.29Å; C2170-L2173 PolarHBondContact O-N 3.45Å; C2170-E2174 WeakPolarHBondContact O-CB 3.19Å; C2170-E2174 WeakPolarHBondContact O-CG 3.44Å; C2170-E2174 PolarHBondContact O-N 2.93Å; C2170-C2198 WeakPolarHBondContact SG-CB 3.19Å |
| 2171 | E | 81 | Confident | 73.6 | Confident | 135 Ų | 135 | 61.3 Ų | 61.3 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | -179.2 | -76.4 | -178.8 | 170.9 | 0 | 0 | 112.2 | D2167 W2168 S2175 | D2167-E2171 PolarHBondContact O-N 3.18Å; D2167-E2171 VanDerWaalsContact O-N 3.09Å; W2168-E2171 PolarHBondContact O-N 3.32Å; E2171-S2175 WeakPolarHBondContact O-CB 3.4Å; E2171-S2175 PolarHBondContact O-N 3.43Å |
| 2172 | I | 81.8 | Confident | 72.9 | Confident | 15 Ų | 15 | 67.3 Ų | 67.3 | 8% | 0.077 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.4 | -51 | 176 | -71.2 | -175.3 | 0 | 0 | 0 | 111 | V2131 F2135 W2168 V2169 C2170 E2174 S2175 V2176 | V2131-I2172 HydrophobicContact CG1-CD1 3.83Å; F2135-I2172 HydrophobicContact CD1-CG2 4.15Å; F2135-I2172 HydrophobicContact CE1-CG2 3.81Å; F2135-I2172 HydrophobicContact CE2-CG2 4.27Å; F2135-I2172 HydrophobicContact CZ-CG2 3.87Å; W2168-I2172 HydrophobicContact CD2-CD1 4.15Å; W2168-I2172 HydrophobicContact CH2-CD1 3.98Å; W2168-I2172 HydrophobicContact CZ2-CD1 3.24Å; W2168-I2172 PolarHBondContact O-N 2.83Å; W2168-I2172 VanDerWaalsContact O-N 3.11Å; V2169-I2172 PolarHBondContact O-N 3.39Å; C2170-I2172 VanDerWaalsContact C-N 3.32Å; C2170-I2172 PolarHBondContact O-N 3.29Å; I2172-E2174 VanDerWaalsContact C-N 3.34Å; I2172-E2174 PolarHBondContact O-N 3.35Å; I2172-S2175 PolarHBondContact O-N 2.98Å; I2172-S2175 VanDerWaalsContact O-N 3.16Å; I2172-S2175 PolarHBondContact O-OG 2.89Å; I2172-V2176 WeakPolarHBondContact O-CG2 3.25Å; I2172-V2176 PolarHBondContact O-N 2.96Å |
| 2173 | L | 80.7 | Confident | 72.2 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -36 | -177.5 | -68.3 | 175.2 | 0 | 0 | 0 | 112.3 | V2151 V2155 V2169 C2170 V2176 S2177 V2191 G2194 L2195 | V2151-L2173 HydrophobicContact CG1-CD2 4.12Å; V2155-L2173 HydrophobicContact CG2-CD2 4.38Å; V2169-L2173 HydrophobicContact CG1-CD1 3.79Å; V2169-L2173 HydrophobicContact CG1-CG 4.21Å; V2169-L2173 WeakPolarHBondContact O-CG 3.16Å; V2169-L2173 PolarHBondContact O-N 2.89Å; C2170-L2173 PolarHBondContact O-N 3.45Å; L2173-V2176 PolarHBondContact O-N 3.2Å; L2173-S2177 WeakPolarHBondContact O-CB 3.36Å; L2173-S2177 PolarHBondContact O-N 3.23Å; L2173-V2191 HydrophobicContact CB-CG1 4.34Å; L2173-V2191 HydrophobicContact CD2-CG1 4.33Å; L2173-V2191 HydrophobicContact CD2-CG2 4.43Å; L2173-V2191 WeakPolarHBondContact O-CG1 3.36Å; L2173-G2194 VanDerWaalsContact CD1-C 3.42Å; L2173-L2195 HydrophobicContact CB-CD1 4.17Å; L2173-L2195 HydrophobicContact CB-CG 3.99Å |
| 2174 | E | 79.8 | Confident | 71.8 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 172.2 | -74.2 | 179.8 | -178.8 | 0 | 0 | 111.8 | C2170 I2172 V2176 S2177 Q2178 L2195 | C2170-E2174 WeakPolarHBondContact O-CB 3.19Å; C2170-E2174 WeakPolarHBondContact O-CG 3.44Å; C2170-E2174 PolarHBondContact O-N 2.93Å; I2172-E2174 VanDerWaalsContact C-N 3.34Å; I2172-E2174 PolarHBondContact O-N 3.35Å; E2174-V2176 VanDerWaalsContact C-N 3.32Å; E2174-V2176 PolarHBondContact O-N 3.39Å; E2174-S2177 PolarHBondContact O-N 3.37Å; E2174-Q2178 WeakPolarHBondContact O-CB 3.31Å; E2174-Q2178 WeakPolarHBondContact O-CG 3.49Å; E2174-Q2178 PolarHBondContact O-N 3.28Å; E2174-L2195 HydrophobicContact CG-CD1 4.46Å; E2174-L2195 HydrophobicContact CG-CD2 3.84Å |
| 2175 | S | 80.4 | Confident | 71.1 | Confident | 41 Ų | 41 | 67 Ų | 67 | 29% | 0.287 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 176.5 | 83.8 | 0 | 0 | 0 | 0 | 112.6 | E2171 I2172 Q2178 S2179 | E2171-S2175 WeakPolarHBondContact O-CB 3.4Å; E2171-S2175 PolarHBondContact O-N 3.43Å; I2172-S2175 PolarHBondContact O-N 2.98Å; I2172-S2175 VanDerWaalsContact O-N 3.16Å; I2172-S2175 PolarHBondContact O-OG 2.89Å; S2175-Q2178 PolarHBondContact O-N 2.86Å; S2175-S2179 WeakPolarHBondContact O-CB 3.34Å; S2175-S2179 PolarHBondContact O-N 3.22Å; S2175-S2179 VanDerWaalsContact O-N 3.12Å; S2175-S2179 PolarHBondContact O-OG 3.1Å |
| 2176 | V | 77.9 | Confident | 70 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 175.5 | 177 | 0 | 0 | 0 | 0 | 110.6 | F2135 P2139 I2172 L2173 E2174 Q2178 S2179 R2180 M2187 V2191 | F2135-V2176 HydrophobicContact CE1-CG2 3.65Å; F2135-V2176 HydrophobicContact CZ-CG2 4.16Å; P2139-V2176 HydrophobicContact CB-CG2 4.18Å; I2172-V2176 WeakPolarHBondContact O-CG2 3.25Å; I2172-V2176 PolarHBondContact O-N 2.96Å; L2173-V2176 PolarHBondContact O-N 3.2Å; E2174-V2176 VanDerWaalsContact C-N 3.32Å; E2174-V2176 PolarHBondContact O-N 3.39Å; V2176-Q2178 VanDerWaalsContact C-N 3.33Å; V2176-Q2178 PolarHBondContact O-N 3.48Å; V2176-S2179 WeakPolarHBondContact CA-OG 3.41Å; V2176-S2179 PolarHBondContact O-OG 2.87Å; V2176-S2179 VanDerWaalsContact O-OG 3.1Å; V2176-R2180 PolarHBondContact O-N 3.47Å; V2176-M2187 HydrophobicContact CG1-SD 4.04Å; V2176-V2191 HydrophobicContact CG1-CG2 3.83Å |
| 2177 | S | 75.8 | Confident | 69.8 | Low | 58 Ų | 58 | 66.5 Ų | 66.5 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 175.3 | 166.8 | 0 | 0 | 0 | 0 | 113.2 | L2173 E2174 | L2173-S2177 WeakPolarHBondContact O-CB 3.36Å; L2173-S2177 PolarHBondContact O-N 3.23Å; E2174-S2177 PolarHBondContact O-N 3.37Å |
| 2178 | Q | 75.2 | Confident | 69.4 | Low | 154 Ų | 154 | 64.8 Ų | 64.8 | 72% | 0.72 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -81.9 | -31.6 | -177.2 | -74 | 177 | 11.9 | 0 | 0 | 113.4 | E2174 S2175 V2176 | E2174-Q2178 WeakPolarHBondContact O-CB 3.31Å; E2174-Q2178 WeakPolarHBondContact O-CG 3.49Å; E2174-Q2178 PolarHBondContact O-N 3.28Å; S2175-Q2178 PolarHBondContact O-N 2.86Å; V2176-Q2178 VanDerWaalsContact C-N 3.33Å; V2176-Q2178 PolarHBondContact O-N 3.48Å |
| 2179 | S | 69.6 | Low | 68.3 | Low | 42 Ų | 42 | 64.8 Ų | 64.8 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -75.7 | -34.1 | 178.8 | 46 | 0 | 0 | 0 | 0 | 112.8 | P2139 S2175 V2176 | P2139-S2179 WeakPolarHBondContact CG-OG 3.13Å; S2175-S2179 WeakPolarHBondContact O-CB 3.34Å; S2175-S2179 PolarHBondContact O-N 3.22Å; S2175-S2179 VanDerWaalsContact O-N 3.12Å; S2175-S2179 PolarHBondContact O-OG 3.1Å; V2176-S2179 WeakPolarHBondContact CA-OG 3.41Å; V2176-S2179 PolarHBondContact O-OG 2.87Å; V2176-S2179 VanDerWaalsContact O-OG 3.1Å |
| 2180 | R | 63.2 | Low | 67.7 | Low | 93 Ų | 93 | 66.4 Ų | 66.4 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -126.8 | 91 | -178.7 | -67.5 | -166.1 | 174.4 | 162.1 | 3.5 | 112 | D2140 V2176 | D2140-R2180 IonicContact OD1-NE 3.46Å; V2176-R2180 PolarHBondContact O-N 3.47Å |
| 2181 | S | 49.1 | Very low | 67.4 | Low | 86 Ų | 86 | 66.6 Ų | 66.6 | 60% | 0.601 | 35% | 0.352 | S | S | * | . | trans | -102.1 | 124.3 | 175.3 | 61 | 0 | 0 | 0 | 0 | 112 | ||||
| 2182 | N | 52 | Low | 66.8 | Low | 156 Ų | 156 | 62.3 Ų | 62.3 | 83% | 0.834 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 83.7 | -20.6 | 163.9 | -57.5 | -16.3 | 0 | 0 | 0 | 121.7 | ||
| 2183 | E | 50.3 | Low | 66.1 | Low | 195 Ų | 195 | 62 Ų | 62 | 91% | 0.911 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -90.1 | -21.7 | -173.9 | -68.2 | -171.9 | 168.7 | 0 | 0 | 115.4 | ||
| 2184 | D | 57.7 | Low | 65.6 | Low | 63 Ų | 63 | 62 Ų | 62 | 34% | 0.337 | 33% | 0.329 | S | S | . | . | trans | -117.2 | 81.7 | -173.5 | -142.4 | -6.6 | 0 | 0 | 0 | 111.2 | L2144 L2186 M2187 A2188 | L2144-D2184 WeakPolarHBondContact CD1-OD2 3.39Å; D2184-L2186 PolarHBondContact O-N 3.49Å; D2184-M2187 PolarHBondContact O-N 3.05Å; D2184-A2188 PolarHBondContact O-N 2.97Å | ||
| 2185 | E | 55.1 | Low | 65.2 | Low | 97 Ų | 97 | 59.1 Ų | 59.1 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -51.2 | -27.2 | -173.5 | -90.9 | -170.2 | 156.9 | 0 | 0 | 114.1 | Q2189 | E2185-Q2189 VanDerWaalsContact O-CG 3.27Å; E2185-Q2189 WeakPolarHBondContact O-CG 3.47Å; E2185-Q2189 PolarHBondContact O-NE2 3.1Å |
| 2186 | L | 54.6 | Low | 64.5 | Low | 48 Ų | 48 | 57.2 Ų | 57.2 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -82.1 | -42 | -172.3 | -76.9 | 163 | 0 | 0 | 0 | 113.7 | L646 D2184 K2234 | L646-L2186 HydrophobicContact CB-CD1 4.21Å; L646-L2186 HydrophobicContact CD2-CB 3.51Å; L646-L2186 HydrophobicContact CD2-CD1 3.51Å; L646-L2186 HydrophobicContact CD2-CD2 3.41Å; L646-L2186 VanDerWaalsContact CD2-CD2 3.41Å; L646-L2186 HydrophobicContact CD2-CG 3.6Å; L646-L2186 HydrophobicContact CG-CD1 4.47Å; D2184-L2186 PolarHBondContact O-N 3.49Å; L2186-K2234 HydrophobicContact CD2-CD 4.33Å; L2186-K2234 VanDerWaalsContact CD2-NZ 3.3Å |
| 2187 | M | 66.8 | Low | 64 | Low | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -78.1 | -33.8 | 179.9 | -160.7 | -164.4 | -55.3 | 0 | 0 | 111.3 | L2144 L2147 T2148 V2176 D2184 Q2189 T2190 V2191 | L2144-M2187 HydrophobicContact CD1-CE 3.62Å; L2144-M2187 HydrophobicContact CG-CE 4.38Å; L2147-M2187 HydrophobicContact CD2-CE 3.8Å; L2147-M2187 HydrophobicContact CD2-SD 3.85Å; L2147-M2187 HydrophobicContact CG-CE 4.2Å; L2147-M2187 HydrophobicContact CG-SD 4.1Å; T2148-M2187 HydrophobicContact CG2-CB 4.16Å; T2148-M2187 HydrophobicContact CG2-CE 3.96Å; T2148-M2187 HydrophobicContact CG2-CG 3.95Å; V2176-M2187 HydrophobicContact CG1-SD 4.04Å; D2184-M2187 PolarHBondContact O-N 3.05Å; M2187-Q2189 PolarHBondContact O-N 3.37Å; M2187-T2190 PolarHBondContact O-N 3.28Å; M2187-T2190 PolarHBondContact O-OG1 3.33Å; M2187-V2191 HydrophobicContact CG-CG2 4.24Å; M2187-V2191 WeakPolarHBondContact O-CB 3.49Å; M2187-V2191 VanDerWaalsContact O-CG2 3.3Å; M2187-V2191 WeakPolarHBondContact O-CG2 3.26Å; M2187-V2191 PolarHBondContact O-N 2.68Å |
| 2188 | A | 65.1 | Low | 63.7 | Low | 42 Ų | 42 | 54.2 Ų | 54.2 | 35% | 0.347 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.5 | -36.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D2184 Q2192 | D2184-A2188 PolarHBondContact O-N 2.97Å; A2188-Q2192 WeakPolarHBondContact O-CB 3.3Å; A2188-Q2192 WeakPolarHBondContact O-CG 3.29Å; A2188-Q2192 PolarHBondContact O-N 3.4Å |
| 2189 | Q | 61.9 | Low | 63.3 | Low | 35 Ų | 35 | 48 Ų | 48 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.7 | -47.3 | -179.9 | -70.2 | 172.7 | 11.3 | 0 | 0 | 113.1 | E2185 M2187 F2193 L2238 | E2185-Q2189 VanDerWaalsContact O-CG 3.27Å; E2185-Q2189 WeakPolarHBondContact O-CG 3.47Å; E2185-Q2189 PolarHBondContact O-NE2 3.1Å; M2187-Q2189 PolarHBondContact O-N 3.37Å; Q2189-F2193 WeakPolarHBondContact O-CB 3.47Å; Q2189-F2193 PolarHBondContact O-N 2.87Å; Q2189-L2238 HydrophobicContact CB-CD1 3.62Å; Q2189-L2238 HydrophobicContact CG-CD1 3.95Å; Q2189-L2238 WeakPolarHBondContact O-CD1 3.42Å |
| 2190 | T | 65.6 | Low | 63 | Low | 35 Ų | 35 | 46 Ų | 46 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.1 | -36.1 | 177.8 | 19.5 | 0 | 0 | 0 | 0 | 112.7 | D2152 M2187 F2193 G2194 | D2152-T2190 WeakPolarHBondContact OD1-CG2 3.25Å; M2187-T2190 PolarHBondContact O-N 3.28Å; M2187-T2190 PolarHBondContact O-OG1 3.33Å; T2190-F2193 PolarHBondContact O-N 3.48Å; T2190-G2194 PolarHBondContact O-N 2.89Å |
| 2191 | V | 71.4 | Confident | 62.9 | Low | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -48.9 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 111 | V2151 L2173 V2176 M2187 F2193 G2194 L2195 | V2151-V2191 HydrophobicContact CG1-CG2 3.75Å; L2173-V2191 HydrophobicContact CB-CG1 4.34Å; L2173-V2191 HydrophobicContact CD2-CG1 4.33Å; L2173-V2191 HydrophobicContact CD2-CG2 4.43Å; L2173-V2191 WeakPolarHBondContact O-CG1 3.36Å; V2176-V2191 HydrophobicContact CG1-CG2 3.83Å; M2187-V2191 HydrophobicContact CG-CG2 4.24Å; M2187-V2191 WeakPolarHBondContact O-CB 3.49Å; M2187-V2191 VanDerWaalsContact O-CG2 3.3Å; M2187-V2191 WeakPolarHBondContact O-CG2 3.26Å; M2187-V2191 PolarHBondContact O-N 2.68Å; V2191-F2193 VanDerWaalsContact C-N 3.29Å; V2191-F2193 PolarHBondContact O-N 3.03Å; V2191-G2194 PolarHBondContact O-N 2.78Å; V2191-L2195 HydrophobicContact CG1-CD1 4.13Å; V2191-L2195 WeakPolarHBondContact O-CB 3.45Å; V2191-L2195 PolarHBondContact O-N 3.2Å |
| 2192 | Q | 68.4 | Low | 63.5 | Low | 45 Ų | 45 | 42.2 Ų | 42.2 | 21% | 0.21 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -40.8 | 176.7 | -79.6 | 176 | -21.6 | 0 | 0 | 111.4 | A2188 L2195 L2196 S2223 C2224 | A2188-Q2192 WeakPolarHBondContact O-CB 3.3Å; A2188-Q2192 WeakPolarHBondContact O-CG 3.29Å; A2188-Q2192 PolarHBondContact O-N 3.4Å; Q2192-L2195 PolarHBondContact O-N 3.13Å; Q2192-L2196 WeakPolarHBondContact O-CB 3.49Å; Q2192-L2196 WeakPolarHBondContact O-CD1 3.39Å; Q2192-L2196 PolarHBondContact O-N 2.92Å; Q2192-S2223 PolarHBondContact NE2-OG 3.27Å; Q2192-C2224 PolarHBondContact OE1-SG 2.91Å |
| 2193 | F | 67.7 | Low | 63.7 | Low | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 175.6 | 179.3 | -108.7 | 0 | 0 | 0 | 112.9 | F2083 V2155 Q2189 T2190 V2191 L2195 L2196 K2197 C2241 L2245 | F2083-F2193 HydrophobicContact CB-CE1 4.2Å; F2083-F2193 HydrophobicContact CB-CZ 3.62Å; F2083-F2193 AromaticContact CD1-CE1 3.46Å; F2083-F2193 HydrophobicContact CD1-CE1 3.46Å; F2083-F2193 VanDerWaalsContact CD1-CE1 3.46Å; F2083-F2193 AromaticContact CD1-CZ 3.81Å; F2083-F2193 HydrophobicContact CD1-CZ 3.81Å; F2083-F2193 HydrophobicContact CD2-CE1 4.14Å; F2083-F2193 HydrophobicContact CD2-CZ 4.05Å; F2083-F2193 HydrophobicContact CE1-CD1 4.47Å; F2083-F2193 AromaticContact CE1-CE1 3.65Å; F2083-F2193 HydrophobicContact CE1-CE1 3.65Å; F2083-F2193 HydrophobicContact CE1-CZ 4.39Å; F2083-F2193 HydrophobicContact CE2-CE1 4.3Å; F2083-F2193 AromaticContact CG-CE1 3.7Å; F2083-F2193 HydrophobicContact CG-CE1 3.7Å; F2083-F2193 AromaticContact CG-CZ 3.58Å; F2083-F2193 HydrophobicContact CG-CZ 3.58Å; F2083-F2193 HydrophobicContact CZ-CE1 4.05Å; V2155-F2193 HydrophobicContact CG1-CD1 3.87Å; V2155-F2193 HydrophobicContact CG1-CE1 4.18Å; Q2189-F2193 WeakPolarHBondContact O-CB 3.47Å; Q2189-F2193 PolarHBondContact O-N 2.87Å; T2190-F2193 PolarHBondContact O-N 3.48Å; V2191-F2193 VanDerWaalsContact C-N 3.29Å; V2191-F2193 PolarHBondContact O-N 3.03Å; F2193-L2195 VanDerWaalsContact C-N 3.33Å; F2193-L2195 PolarHBondContact O-N 3.28Å; F2193-L2196 PolarHBondContact O-N 2.62Å; F2193-K2197 HydrophobicContact CE1-CD 4.38Å; F2193-K2197 HydrophobicContact CZ-CD 4.29Å; F2193-K2197 PolarHBondContact O-N 3.28Å; F2193-C2241 HydrophobicContact CD2-CB 3.38Å; F2193-C2241 HydrophobicContact CE2-CB 3.17Å; F2193-C2241 WeakPolarHBondContact CE2-O 3.23Å; F2193-C2241 HydrophobicContact CG-CB 4.22Å; F2193-C2241 HydrophobicContact CZ-CB 3.78Å; F2193-L2245 HydrophobicContact CE2-CD1 3.79Å; F2193-L2245 HydrophobicContact CZ-CD1 4.43Å |
| 2194 | G | 69 | Low | 63.8 | Low | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L2173 T2190 V2191 K2197 C2198 | L2173-G2194 VanDerWaalsContact CD1-C 3.42Å; T2190-G2194 PolarHBondContact O-N 2.89Å; V2191-G2194 PolarHBondContact O-N 2.78Å; G2194-K2197 PolarHBondContact O-N 3.1Å; G2194-C2198 PolarHBondContact O-N 3.38Å; G2194-C2198 PolarHBondContact O-SG 3.45Å |
| 2195 | L | 72 | Confident | 63.4 | Low | 23 Ų | 23 | 33.2 Ų | 33.2 | 12% | 0.12 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 175.1 | -107.5 | 153.4 | 0 | 0 | 0 | 111.2 | L2173 E2174 V2191 Q2192 F2193 K2197 C2198 L2199 | L2173-L2195 HydrophobicContact CB-CD1 4.17Å; L2173-L2195 HydrophobicContact CB-CG 3.99Å; E2174-L2195 HydrophobicContact CG-CD1 4.46Å; E2174-L2195 HydrophobicContact CG-CD2 3.84Å; V2191-L2195 HydrophobicContact CG1-CD1 4.13Å; V2191-L2195 WeakPolarHBondContact O-CB 3.45Å; V2191-L2195 PolarHBondContact O-N 3.2Å; Q2192-L2195 PolarHBondContact O-N 3.13Å; F2193-L2195 VanDerWaalsContact C-N 3.33Å; F2193-L2195 PolarHBondContact O-N 3.28Å; L2195-K2197 VanDerWaalsContact C-N 3.33Å; L2195-K2197 PolarHBondContact O-N 3.4Å; L2195-C2198 PolarHBondContact O-N 2.78Å; L2195-L2199 HydrophobicContact CD2-CD1 4.18Å; L2195-L2199 WeakPolarHBondContact O-CB 3.44Å; L2195-L2199 WeakPolarHBondContact O-CD1 3.5Å; L2195-L2199 WeakPolarHBondContact O-CG 3.33Å; L2195-L2199 PolarHBondContact O-N 2.95Å |
| 2196 | L | 66.8 | Low | 62.9 | Low | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -40.9 | 175.2 | -85.9 | 153.6 | 0 | 0 | 0 | 112.4 | Q2192 F2193 S2200 I2221 Q2242 L2245 W2249 | Q2192-L2196 WeakPolarHBondContact O-CB 3.49Å; Q2192-L2196 WeakPolarHBondContact O-CD1 3.39Å; Q2192-L2196 PolarHBondContact O-N 2.92Å; F2193-L2196 PolarHBondContact O-N 2.62Å; L2196-S2200 WeakPolarHBondContact O-CB 2.99Å; L2196-S2200 PolarHBondContact O-N 2.95Å; L2196-I2221 HydrophobicContact CD1-CG1 4.5Å; L2196-I2221 HydrophobicContact CD2-CD1 3.92Å; L2196-I2221 HydrophobicContact CD2-CG1 3.87Å; L2196-Q2242 HydrophobicContact CD1-CG 3.78Å; L2196-L2245 HydrophobicContact CB-CD1 4.27Å; L2196-W2249 HydrophobicContact CD2-CH2 3.51Å; L2196-W2249 HydrophobicContact CD2-CZ2 3.57Å |
| 2197 | K | 67.3 | Low | 62.3 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 176.8 | -169.4 | 162.8 | -179.8 | 171.9 | 0 | 111.7 | F2083 D2159 F2193 G2194 L2195 S2200 F2201 L2245 | F2083-K2197 WeakPolarHBondContact O-CE 3.42Å; F2083-K2197 PolarHBondContact O-NZ 3.47Å; D2159-K2197 WeakPolarHBondContact OD1-CE 3.46Å; D2159-K2197 IonicContact OD1-NZ 3.92Å; D2159-K2197 PolarHBondContact OD1-NZ 3.27Å; D2159-K2197 IonicContact OD2-NZ 3.92Å; D2159-K2197 PolarHBondContact OD2-NZ 3.41Å; F2193-K2197 HydrophobicContact CE1-CD 4.38Å; F2193-K2197 HydrophobicContact CZ-CD 4.29Å; F2193-K2197 PolarHBondContact O-N 3.28Å; G2194-K2197 PolarHBondContact O-N 3.1Å; L2195-K2197 VanDerWaalsContact C-N 3.33Å; L2195-K2197 PolarHBondContact O-N 3.4Å; K2197-S2200 PolarHBondContact O-N 3.43Å; K2197-S2200 PolarHBondContact O-OG 2.94Å; K2197-F2201 PolarHBondContact O-N 2.87Å; K2197-L2245 HydrophobicContact CB-CD1 4.15Å; K2197-L2245 HydrophobicContact CB-CD2 4.26Å; K2197-L2245 HydrophobicContact CG-CD2 3.94Å |
| 2198 | C | 69.6 | Low | 61 | Low | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 176.9 | -62.9 | 0 | 0 | 0 | 0 | 112.8 | C2170 G2194 L2195 S2200 F2201 K2202 | C2170-C2198 WeakPolarHBondContact SG-CB 3.19Å; G2194-C2198 PolarHBondContact O-N 3.38Å; G2194-C2198 PolarHBondContact O-SG 3.45Å; L2195-C2198 PolarHBondContact O-N 2.78Å; C2198-S2200 VanDerWaalsContact C-N 3.34Å; C2198-S2200 PolarHBondContact O-N 3.41Å; C2198-F2201 PolarHBondContact O-N 3.27Å; C2198-K2202 PolarHBondContact O-N 3.02Å |
| 2199 | L | 65.8 | Low | 60 | Low | 25 Ų | 25 | 56.3 Ų | 56.3 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -36 | 177.7 | -72.9 | 167 | 0 | 0 | 0 | 112 | L2195 K2202 S2203 I2217 | L2195-L2199 HydrophobicContact CD2-CD1 4.18Å; L2195-L2199 WeakPolarHBondContact O-CB 3.44Å; L2195-L2199 WeakPolarHBondContact O-CD1 3.5Å; L2195-L2199 WeakPolarHBondContact O-CG 3.33Å; L2195-L2199 PolarHBondContact O-N 2.95Å; L2199-K2202 PolarHBondContact O-N 3.25Å; L2199-S2203 PolarHBondContact O-N 2.76Å; L2199-I2217 HydrophobicContact CB-CD1 4.43Å; L2199-I2217 HydrophobicContact CB-CG1 4.17Å; L2199-I2217 HydrophobicContact CD1-CG1 4.2Å |
| 2200 | S | 63.1 | Low | 59 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 174.8 | 79.7 | 0 | 0 | 0 | 0 | 113.2 | L2196 K2197 C2198 S2203 | L2196-S2200 WeakPolarHBondContact O-CB 2.99Å; L2196-S2200 PolarHBondContact O-N 2.95Å; K2197-S2200 PolarHBondContact O-N 3.43Å; K2197-S2200 PolarHBondContact O-OG 2.94Å; C2198-S2200 VanDerWaalsContact C-N 3.34Å; C2198-S2200 PolarHBondContact O-N 3.41Å; S2200-S2203 PolarHBondContact O-OG 3.29Å |
| 2201 | F | 61.5 | Low | 58.4 | Low | 35 Ų | 35 | 61.3 Ų | 61.3 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.1 | -33.8 | 173 | -89.7 | -73.1 | 0 | 0 | 0 | 111.9 | P2085 H2163 L2166 K2197 C2198 S2203 T2204 | P2085-F2201 HydrophobicContact CB-CZ 4.01Å; P2085-F2201 HydrophobicContact CG-CZ 3.95Å; H2163-F2201 AromaticContact CE1-CD1 3.62Å; H2163-F2201 AromaticContact CE1-CE1 3.66Å; L2166-F2201 HydrophobicContact CD1-CB 3.78Å; L2166-F2201 HydrophobicContact CD1-CD1 4.5Å; L2166-F2201 HydrophobicContact CD1-CG 4.13Å; K2197-F2201 PolarHBondContact O-N 2.87Å; C2198-F2201 PolarHBondContact O-N 3.27Å; F2201-S2203 VanDerWaalsContact C-N 3.34Å; F2201-S2203 PolarHBondContact O-N 2.74Å; F2201-T2204 PolarHBondContact O-N 3.1Å; F2201-T2204 PolarHBondContact O-OG1 3.17Å |
| 2202 | K | 61.9 | Low | 57.5 | Low | 64 Ų | 64 | 67.3 Ų | 67.3 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 173.7 | -87.7 | -179.9 | 171.3 | 175.8 | 0 | 112.9 | D2167 C2198 L2199 T2204 V2205 | D2167-K2202 WeakPolarHBondContact OD1-CE 3.41Å; D2167-K2202 IonicContact OD1-NZ 2.71Å; D2167-K2202 PolarHBondContact OD1-NZ 2.9Å; C2198-K2202 PolarHBondContact O-N 3.02Å; L2199-K2202 PolarHBondContact O-N 3.25Å; K2202-T2204 VanDerWaalsContact C-N 3.28Å; K2202-T2204 PolarHBondContact O-N 3.04Å; K2202-V2205 PolarHBondContact O-N 3.12Å |
| 2203 | S | 56.4 | Low | 56.7 | Low | 44 Ų | 44 | 67 Ų | 67 | 31% | 0.308 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.8 | -20.2 | -179.3 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | L2199 S2200 F2201 H2248 | L2199-S2203 PolarHBondContact O-N 2.76Å; S2200-S2203 PolarHBondContact O-OG 3.29Å; F2201-S2203 VanDerWaalsContact C-N 3.34Å; F2201-S2203 PolarHBondContact O-N 2.74Å; S2203-H2248 PolarHBondContact OG-O 2.9Å |
| 2204 | T | 51.5 | Low | 56 | Low | 72 Ų | 72 | 69.8 Ų | 69.8 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -87.3 | -23.4 | 178 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | F2201 K2202 H2248 | F2201-T2204 PolarHBondContact O-N 3.1Å; F2201-T2204 PolarHBondContact O-OG1 3.17Å; K2202-T2204 VanDerWaalsContact C-N 3.28Å; K2202-T2204 PolarHBondContact O-N 3.04Å; T2204-H2248 HydrophobicContact CG2-CB 4.26Å; T2204-H2248 WeakPolarHBondContact CG2-O 3.27Å |
| 2205 | V | 50 | Low | 55.7 | Low | 109 Ų | 109 | 76.4 Ų | 76.4 | 66% | 0.661 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -95 | -20.7 | -174.6 | -179.2 | 0 | 0 | 0 | 0 | 113.4 | K2202 | K2202-V2205 PolarHBondContact O-N 3.12Å |
| 2206 | R | 44.8 | Very low | 55.2 | Low | 179 Ų | 179 | 79.9 Ų | 79.9 | 68% | 0.675 | 42% | 0.417 | S | S | * | . | trans | -113.9 | 77.8 | -178.7 | -74.8 | -174.5 | 179.2 | 167.1 | 4.4 | 112.8 | R2208 | R2206-R2208 PolarHBondContact O-N 3.46Š| ||
| 2207 | E | 42.2 | Very low | 54.7 | Low | 178 Ų | 178 | 80.5 Ų | 80.5 | 83% | 0.832 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 7.9 | 171.6 | -79.2 | -172 | 148.9 | 0 | 0 | 115.5 | ||
| 2208 | R | 40.1 | Very low | 54.3 | Low | 241 Ų | 241 | 83.1 Ų | 83.1 | 91% | 0.909 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | 7.5 | -168.3 | -68.6 | -171.9 | -174.4 | 166.7 | 4 | 118.6 | R2206 | R2206-R2208 PolarHBondContact O-N 3.46Š|
| 2209 | A | 42.3 | Very low | 54.1 | Low | 81 Ų | 81 | 88 Ų | 88 | 67% | 0.669 | 46% | 0.462 | S | S | * | . | trans | -137.5 | 88.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | G2211 | A2209-G2211 PolarHBondContact O-N 3.29Š| ||
| 2210 | L | 42.2 | Very low | 53.8 | Low | 130 Ų | 130 | 88.1 Ų | 88.1 | 68% | 0.681 | 47% | 0.466 | S | S | * | . | trans | -82 | 9.3 | -166.9 | -91.7 | 141.9 | 0 | 0 | 0 | 116.4 | ||||
| 2211 | G | 52.4 | Low | 53.5 | Low | 45 Ų | 45 | 88.4 Ų | 88.4 | 46% | 0.464 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -111.5 | -57.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | A2209 | A2209-G2211 PolarHBondContact O-N 3.29Š|
| 2212 | D | 51.9 | Low | 53.5 | Low | 132 Ų | 132 | 89.5 Ų | 89.5 | 71% | 0.706 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -87.1 | -40 | -162.8 | -65 | -34.4 | 0 | 0 | 0 | 113.3 | Q2214 K2215 | D2212-Q2214 PolarHBondContact O-N 3.24Å; D2212-Q2214 VanDerWaalsContact O-N 3.1Å; D2212-K2215 PolarHBondContact O-N 3.42Å |
| 2213 | G | 53 | Low | 53.4 | Low | 39 Ų | 39 | 89.1 Ų | 89.1 | 40% | 0.402 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.7 | -18.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I2217 | G2213-I2217 VanDerWaalsContact O-CD1 3.3Å; G2213-I2217 WeakPolarHBondContact O-CD1 3.49Å; G2213-I2217 VanDerWaalsContact O-CG1 3.23Å; G2213-I2217 WeakPolarHBondContact O-CG1 3.22Å |
| 2214 | Q | 52.8 | Low | 53.4 | Low | 67 Ų | 67 | 87.3 Ų | 87.3 | 31% | 0.313 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74 | -35 | 178.4 | -132.7 | -178.8 | -4.1 | 0 | 0 | 112.5 | D2212 T2218 C2253 | D2212-Q2214 PolarHBondContact O-N 3.24Å; D2212-Q2214 VanDerWaalsContact O-N 3.1Å; Q2214-T2218 PolarHBondContact O-N 3.49Å; Q2214-T2218 PolarHBondContact O-OG1 3.34Å; Q2214-C2253 WeakPolarHBondContact CG-SG 3.32Å; Q2214-C2253 PolarHBondContact NE2-SG 3.33Å |
| 2215 | K | 62.1 | Low | 53.5 | Low | 140 Ų | 140 | 86.6 Ų | 86.6 | 61% | 0.609 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -74.9 | -39.2 | 178.7 | -83.1 | -178.7 | 176.5 | 174.6 | 0 | 112.3 | D2212 I2217 T2218 N2219 | D2212-K2215 PolarHBondContact O-N 3.42Å; K2215-I2217 VanDerWaalsContact C-N 3.29Å; K2215-I2217 PolarHBondContact O-N 3Å; K2215-T2218 WeakPolarHBondContact CA-OG1 3.42Å; K2215-T2218 PolarHBondContact O-N 3.48Å; K2215-T2218 PolarHBondContact O-OG1 2.96Å; K2215-N2219 VanDerWaalsContact O-CB 3.28Å; K2215-N2219 WeakPolarHBondContact O-CB 3.38Å; K2215-N2219 PolarHBondContact O-N 3.48Å; K2215-N2219 PolarHBondContact O-ND2 2.94Å |
| 2216 | D | 61.1 | Low | 53.8 | Low | 96 Ų | 96 | 88.9 Ų | 88.9 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | -179.5 | -61.7 | -27 | 0 | 0 | 0 | 110.8 | A2220 | D2216-A2220 VanDerWaalsContact O-CB 3.27Å; D2216-A2220 WeakPolarHBondContact O-CB 3.44Å; D2216-A2220 PolarHBondContact O-N 3.34Å |
| 2217 | I | 56.2 | Low | 54.2 | Low | 13 Ų | 13 | 83.2 Ų | 83.2 | 7% | 0.067 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 175.5 | -68.6 | 171.6 | 0 | 0 | 0 | 112.1 | L2199 G2213 K2215 I2221 W2249 | L2199-I2217 HydrophobicContact CB-CD1 4.43Å; L2199-I2217 HydrophobicContact CB-CG1 4.17Å; L2199-I2217 HydrophobicContact CD1-CG1 4.2Å; G2213-I2217 VanDerWaalsContact O-CD1 3.3Å; G2213-I2217 WeakPolarHBondContact O-CD1 3.49Å; G2213-I2217 VanDerWaalsContact O-CG1 3.23Å; G2213-I2217 WeakPolarHBondContact O-CG1 3.22Å; K2215-I2217 VanDerWaalsContact C-N 3.29Å; K2215-I2217 PolarHBondContact O-N 3Å; I2217-I2221 HydrophobicContact CG2-CD1 4.42Å; I2217-I2221 WeakPolarHBondContact O-CG1 3.33Å; I2217-I2221 PolarHBondContact O-N 3.33Å; I2217-W2249 HydrophobicContact CG2-CE3 4Å; I2217-W2249 HydrophobicContact CG2-CH2 3.18Å; I2217-W2249 HydrophobicContact CG2-CZ2 4.2Å; I2217-W2249 HydrophobicContact CG2-CZ3 3.07Å |
| 2218 | T | 59.3 | Low | 54.3 | Low | 55 Ų | 55 | 77.9 Ų | 77.9 | 34% | 0.337 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69 | -42.4 | 178.9 | 22.8 | 0 | 0 | 0 | 0 | 111.7 | Q2214 K2215 I2221 D2222 L2257 | Q2214-T2218 PolarHBondContact O-N 3.49Å; Q2214-T2218 PolarHBondContact O-OG1 3.34Å; K2215-T2218 WeakPolarHBondContact CA-OG1 3.42Å; K2215-T2218 PolarHBondContact O-N 3.48Å; K2215-T2218 PolarHBondContact O-OG1 2.96Å; T2218-I2221 PolarHBondContact O-N 3.48Å; T2218-D2222 VanDerWaalsContact O-CB 3.32Å; T2218-D2222 WeakPolarHBondContact O-CB 3.23Å; T2218-D2222 PolarHBondContact O-N 3.11Å; T2218-L2257 HydrophobicContact CG2-CD1 4.2Å |
| 2219 | N | 65 | Low | 54.5 | Low | 102 Ų | 102 | 69 Ų | 69 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 177.4 | -72.4 | -22.6 | 0 | 0 | 0 | 112.5 | K2215 D2222 S2223 | K2215-N2219 VanDerWaalsContact O-CB 3.28Å; K2215-N2219 WeakPolarHBondContact O-CB 3.38Å; K2215-N2219 PolarHBondContact O-N 3.48Å; K2215-N2219 PolarHBondContact O-ND2 2.94Å; N2219-D2222 PolarHBondContact O-N 2.64Å; N2219-S2223 WeakPolarHBondContact O-CB 3.28Å; N2219-S2223 PolarHBondContact O-N 2.92Å |
| 2220 | A | 59.8 | Low | 54.7 | Low | 28 Ų | 28 | 71.2 Ų | 71.2 | 23% | 0.231 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D2216 S2223 C2224 | D2216-A2220 VanDerWaalsContact O-CB 3.27Å; D2216-A2220 WeakPolarHBondContact O-CB 3.44Å; D2216-A2220 PolarHBondContact O-N 3.34Å; A2220-S2223 PolarHBondContact O-N 3.38Å; A2220-S2223 PolarHBondContact O-OG 3.46Å; A2220-C2224 PolarHBondContact O-N 3.04Å; A2220-C2224 PolarHBondContact O-SG 3.09Å |
| 2221 | I | 58.1 | Low | 54.8 | Low | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.036 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 177.7 | -67.8 | 171.8 | 0 | 0 | 0 | 111.9 | L2196 I2217 T2218 S2223 C2224 I2225 W2249 L2257 | L2196-I2221 HydrophobicContact CD1-CG1 4.5Å; L2196-I2221 HydrophobicContact CD2-CD1 3.92Å; L2196-I2221 HydrophobicContact CD2-CG1 3.87Å; I2217-I2221 HydrophobicContact CG2-CD1 4.42Å; I2217-I2221 WeakPolarHBondContact O-CG1 3.33Å; I2217-I2221 PolarHBondContact O-N 3.33Å; T2218-I2221 PolarHBondContact O-N 3.48Å; I2221-S2223 PolarHBondContact O-N 3.41Å; I2221-C2224 WeakPolarHBondContact O-CB 3.5Å; I2221-C2224 PolarHBondContact O-N 3.19Å; I2221-C2224 VanDerWaalsContact O-N 3.17Å; I2221-I2225 HydrophobicContact CG2-CD1 3.92Å; I2221-I2225 WeakPolarHBondContact O-CG1 3.47Å; I2221-I2225 PolarHBondContact O-N 2.89Å; I2221-W2249 HydrophobicContact CD1-CH2 3.41Å; I2221-W2249 VanDerWaalsContact CD1-CH2 3.41Å; I2221-W2249 HydrophobicContact CD1-CZ3 3.72Å; I2221-L2257 HydrophobicContact CD1-CD1 3.61Å; I2221-L2257 HydrophobicContact CD1-CD2 3.95Å; I2221-L2257 HydrophobicContact CD1-CG 4.33Å; I2221-L2257 HydrophobicContact CG2-CD2 4.2Å |
| 2222 | D | 60.8 | Low | 54.5 | Low | 58 Ų | 58 | 66.2 Ų | 66.2 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.4 | -30.2 | 179.7 | -139.8 | 42.1 | 0 | 0 | 0 | 111.4 | T2218 N2219 K2226 | T2218-D2222 VanDerWaalsContact O-CB 3.32Å; T2218-D2222 WeakPolarHBondContact O-CB 3.23Å; T2218-D2222 PolarHBondContact O-N 3.11Å; N2219-D2222 PolarHBondContact O-N 2.64Å; D2222-K2226 WeakPolarHBondContact O-CB 3.36Å; D2222-K2226 WeakPolarHBondContact O-CG 3.41Å; D2222-K2226 PolarHBondContact O-N 2.94Å; D2222-K2226 IonicContact OD2-NZ 3.33Å; D2222-K2226 PolarHBondContact OD2-NZ 3.25Å |
| 2223 | S | 60.5 | Low | 54.2 | Low | 55 Ų | 55 | 62.8 Ų | 62.8 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 171.7 | 83.9 | 0 | 0 | 0 | 0 | 112.9 | Q2192 N2219 A2220 I2221 I2225 K2226 S2227 | Q2192-S2223 PolarHBondContact NE2-OG 3.27Å; N2219-S2223 WeakPolarHBondContact O-CB 3.28Å; N2219-S2223 PolarHBondContact O-N 2.92Å; A2220-S2223 PolarHBondContact O-N 3.38Å; A2220-S2223 PolarHBondContact O-OG 3.46Å; I2221-S2223 PolarHBondContact O-N 3.41Å; S2223-I2225 VanDerWaalsContact C-N 3.31Å; S2223-I2225 PolarHBondContact O-N 2.87Å; S2223-K2226 PolarHBondContact O-N 2.92Å; S2223-S2227 PolarHBondContact O-N 2.77Å; S2223-S2227 PolarHBondContact O-OG 3.42Å |
| 2224 | C | 55.1 | Low | 53.8 | Low | 7 Ų | 7 | 62.4 Ų | 62.4 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.1 | -36.7 | 175 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | Q2192 A2220 I2221 S2227 L2238 | Q2192-C2224 PolarHBondContact OE1-SG 2.91Å; A2220-C2224 PolarHBondContact O-N 3.04Å; A2220-C2224 PolarHBondContact O-SG 3.09Å; I2221-C2224 WeakPolarHBondContact O-CB 3.5Å; I2221-C2224 PolarHBondContact O-N 3.19Å; I2221-C2224 VanDerWaalsContact O-N 3.17Å; C2224-S2227 PolarHBondContact O-OG 2.86Å; C2224-S2227 VanDerWaalsContact O-OG 3.06Å; C2224-L2238 HydrophobicContact CB-CD2 4.12Å |
| 2225 | I | 54.6 | Low | 53.5 | Low | 57 Ų | 57 | 60.3 Ų | 60.3 | 29% | 0.292 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -81 | -31.5 | -176.6 | -62.4 | 169.3 | 0 | 0 | 0 | 111 | I2221 S2223 L2264 | I2221-I2225 HydrophobicContact CG2-CD1 3.92Å; I2221-I2225 WeakPolarHBondContact O-CG1 3.47Å; I2221-I2225 PolarHBondContact O-N 2.89Å; S2223-I2225 VanDerWaalsContact C-N 3.31Å; S2223-I2225 PolarHBondContact O-N 2.87Å; I2225-L2264 HydrophobicContact CG2-CD1 4.19Å |
| 2226 | K | 55.9 | Low | 52.7 | Low | 156 Ų | 156 | 53.8 Ų | 53.8 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -82.7 | -22.1 | -178.3 | -76.7 | 171.6 | 177.4 | 157.1 | 0 | 114.6 | D2222 S2223 G2228 | D2222-K2226 WeakPolarHBondContact O-CB 3.36Å; D2222-K2226 WeakPolarHBondContact O-CG 3.41Å; D2222-K2226 PolarHBondContact O-N 2.94Å; D2222-K2226 IonicContact OD2-NZ 3.33Å; D2222-K2226 PolarHBondContact OD2-NZ 3.25Å; S2223-K2226 PolarHBondContact O-N 2.92Å; K2226-G2228 PolarHBondContact O-N 2.98Å |
| 2227 | S | 52.3 | Low | 52 | Low | 61 Ų | 61 | 53.6 Ų | 53.6 | 43% | 0.427 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -68.3 | 106.9 | 165.7 | 53 | 0 | 0 | 0 | 0 | 108.4 | S2223 C2224 I2229 | S2223-S2227 PolarHBondContact O-N 2.77Å; S2223-S2227 PolarHBondContact O-OG 3.42Å; C2224-S2227 PolarHBondContact O-OG 2.86Å; C2224-S2227 VanDerWaalsContact O-OG 3.06Å; S2227-I2229 WeakPolarHBondContact O-CG1 3.23Å; S2227-I2229 PolarHBondContact O-N 3.37Å |
| 2228 | G | 44.7 | Very low | 51.7 | Low | 65 Ų | 65 | 54 Ų | 54 | 67% | 0.67 | 32% | 0.317 | S | S | * | . | trans | -64 | 99.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K2226 T2230 | K2226-G2228 PolarHBondContact O-N 2.98Å; G2228-T2230 PolarHBondContact O-N 3.02Å | ||
| 2229 | I | 44.7 | Very low | 51.3 | Low | 54 Ų | 54 | 51.9 Ų | 51.9 | 28% | 0.277 | 30% | 0.304 | S | S | . | . | trans | -80.6 | 108.6 | -179.9 | -59.4 | 166.5 | 0 | 0 | 0 | 109.5 | S2227 D2231 A2235 | S2227-I2229 WeakPolarHBondContact O-CG1 3.23Å; S2227-I2229 PolarHBondContact O-N 3.37Å; I2229-D2231 VanDerWaalsContact C-N 3.27Å; I2229-D2231 HydrophobicContact CG2-CB 4.38Å; I2229-D2231 WeakPolarHBondContact CG2-O 3.25Å; I2229-A2235 HydrophobicContact CB-CB 4.28Å; I2229-A2235 HydrophobicContact CD1-CB 3.59Å; I2229-A2235 HydrophobicContact CG2-CB 4.04Å | ||
| 2230 | T | 45.6 | Very low | 50.5 | Low | 129 Ų | 129 | 47.6 Ų | 47.6 | 79% | 0.791 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -72.5 | -19.2 | 170.4 | 48 | 0 | 0 | 0 | 0 | 112.9 | G2228 | G2228-T2230 PolarHBondContact O-N 3.02Š|
| 2231 | D | 44.4 | Very low | 50 | Low | 36 Ų | 36 | 46.7 Ų | 46.7 | 19% | 0.193 | 27% | 0.273 | C | S | . | . | trans | -100.4 | 86.3 | 177.4 | -83.6 | -10.9 | 0 | 0 | 0 | 111.6 | I2229 H2233 K2234 | I2229-D2231 VanDerWaalsContact C-N 3.27Å; I2229-D2231 HydrophobicContact CG2-CB 4.38Å; I2229-D2231 WeakPolarHBondContact CG2-O 3.25Å; D2231-H2233 PolarHBondContact O-N 3.4Å; D2231-K2234 PolarHBondContact O-N 2.75Å; D2231-K2234 IonicContact OD2-NZ 3.68Å | ||
| 2232 | A | 46.6 | Very low | 49.7 | Very low | 34 Ų | 34 | 47.2 Ų | 47.2 | 28% | 0.281 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -50.6 | -19.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A2236 F2272 | A2232-A2236 VanDerWaalsContact O-CB 3.28Å; A2232-A2236 WeakPolarHBondContact O-CB 3.49Å; A2232-A2236 PolarHBondContact O-N 3.44Å; A2232-F2272 HydrophobicContact CB-CE2 4.36Å; A2232-F2272 HydrophobicContact CB-CZ 3.79Å |
| 2233 | H | 46.1 | Very low | 49.1 | Very low | 59 Ų | 59 | 45.3 Ų | 45.3 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 176.6 | -67 | 40.7 | 0 | 0 | 0 | 113.7 | D2231 H2237 L2280 | D2231-H2233 PolarHBondContact O-N 3.4Å; H2233-H2237 PolarHBondContact O-N 3.5Å; H2233-L2280 HydrophobicContact CB-CD2 3.87Å; H2233-L2280 WeakPolarHBondContact CD2-CD1 3.5Å; H2233-L2280 WeakPolarHBondContact CD2-CD2 3.28Å; H2233-L2280 WeakPolarHBondContact NE2-CD1 3.39Å; H2233-L2280 WeakPolarHBondContact NE2-CD2 3.44Å |
| 2234 | K | 43.8 | Very low | 48.4 | Very low | 32 Ų | 32 | 44.2 Ų | 44.2 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -91 | -38.5 | -174 | -68.7 | 177.4 | -177.5 | 165.4 | 0 | 112.1 | S649 L2186 D2231 A2236 H2237 L2238 | S649-K2234 WeakPolarHBondContact OG-CE 3.38Å; S649-K2234 PolarHBondContact OG-NZ 3.28Å; L2186-K2234 HydrophobicContact CD2-CD 4.33Å; L2186-K2234 VanDerWaalsContact CD2-NZ 3.3Å; D2231-K2234 PolarHBondContact O-N 2.75Å; D2231-K2234 IonicContact OD2-NZ 3.68Å; K2234-A2236 PolarHBondContact O-N 2.91Å; K2234-H2237 PolarHBondContact O-N 3.31Å; K2234-H2237 VanDerWaalsContact O-N 3.14Å; K2234-L2238 PolarHBondContact O-N 2.94Å |
| 2235 | A | 46.5 | Very low | 48.3 | Very low | 23 Ų | 23 | 43.9 Ų | 43.9 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.8 | -41.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I2229 L2239 | I2229-A2235 HydrophobicContact CB-CB 4.28Å; I2229-A2235 HydrophobicContact CD1-CB 3.59Å; I2229-A2235 HydrophobicContact CG2-CB 4.04Å; A2235-L2239 VanDerWaalsContact O-CB 3.3Å; A2235-L2239 WeakPolarHBondContact O-CB 3.41Å; A2235-L2239 PolarHBondContact O-N 3.49Å |
| 2236 | A | 46.6 | Very low | 48.1 | Very low | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -48.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A2232 K2234 L2238 L2239 V2240 L2284 | A2232-A2236 VanDerWaalsContact O-CB 3.28Å; A2232-A2236 WeakPolarHBondContact O-CB 3.49Å; A2232-A2236 PolarHBondContact O-N 3.44Å; K2234-A2236 PolarHBondContact O-N 2.91Å; A2236-L2238 VanDerWaalsContact C-N 3.31Å; A2236-L2238 PolarHBondContact O-N 3.06Å; A2236-L2239 VanDerWaalsContact O-CB 3.23Å; A2236-L2239 WeakPolarHBondContact O-CB 3.26Å; A2236-L2239 PolarHBondContact O-N 3.32Å; A2236-V2240 VanDerWaalsContact O-CG2 3.23Å; A2236-V2240 WeakPolarHBondContact O-CG2 3.35Å; A2236-V2240 PolarHBondContact O-N 2.84Å; A2236-L2284 HydrophobicContact CB-CD1 3.3Å; A2236-L2284 HydrophobicContact CB-CD2 3.62Å; A2236-L2284 HydrophobicContact CB-CG 3.45Å; A2236-L2284 VanDerWaalsContact CB-CG 3.45Å |
| 2237 | H | 46.5 | Very low | 47.9 | Very low | 92 Ų | 92 | 37.8 Ų | 37.8 | 43% | 0.426 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 177.2 | -112.8 | -70.9 | 0 | 0 | 0 | 112.1 | H2233 K2234 V2240 C2241 | H2233-H2237 PolarHBondContact O-N 3.5Å; K2234-H2237 PolarHBondContact O-N 3.31Å; K2234-H2237 VanDerWaalsContact O-N 3.14Å; H2237-V2240 WeakPolarHBondContact O-CB 3.24Å; H2237-V2240 PolarHBondContact O-N 3.16Å; H2237-C2241 PolarHBondContact O-N 3.04Å; H2237-C2241 PolarHBondContact O-SG 2.78Å |
| 2238 | L | 49.6 | Very low | 47.8 | Very low | 21 Ų | 21 | 37.2 Ų | 37.2 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 175.5 | -150.1 | 103.1 | 0 | 0 | 0 | 111.7 | Q2189 C2224 K2234 A2236 C2241 Q2242 | Q2189-L2238 HydrophobicContact CB-CD1 3.62Å; Q2189-L2238 HydrophobicContact CG-CD1 3.95Å; Q2189-L2238 WeakPolarHBondContact O-CD1 3.42Å; C2224-L2238 HydrophobicContact CB-CD2 4.12Å; K2234-L2238 PolarHBondContact O-N 2.94Å; A2236-L2238 VanDerWaalsContact C-N 3.31Å; A2236-L2238 PolarHBondContact O-N 3.06Å; L2238-C2241 PolarHBondContact O-N 3.4Å; L2238-Q2242 WeakPolarHBondContact O-CB 3.37Å; L2238-Q2242 WeakPolarHBondContact O-CG 3.43Å; L2238-Q2242 PolarHBondContact O-N 2.92Å |
| 2239 | L | 49.9 | Very low | 48.3 | Very low | 11 Ų | 11 | 35.1 Ų | 35.1 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.9 | -49.6 | 170.1 | -111.3 | 157.5 | 0 | 0 | 0 | 110.8 | A2235 A2236 C2241 Q2242 L2243 L2261 L2264 | A2235-L2239 VanDerWaalsContact O-CB 3.3Å; A2235-L2239 WeakPolarHBondContact O-CB 3.41Å; A2235-L2239 PolarHBondContact O-N 3.49Å; A2236-L2239 VanDerWaalsContact O-CB 3.23Å; A2236-L2239 WeakPolarHBondContact O-CB 3.26Å; A2236-L2239 PolarHBondContact O-N 3.32Å; L2239-C2241 VanDerWaalsContact C-N 3.31Å; L2239-C2241 PolarHBondContact O-N 2.83Å; L2239-Q2242 PolarHBondContact O-N 3.2Å; L2239-L2243 HydrophobicContact CD2-CD1 3.76Å; L2239-L2243 HydrophobicContact CD2-CG 4.13Å; L2239-L2243 WeakPolarHBondContact O-CB 2.82Å; L2239-L2243 WeakPolarHBondContact O-CD1 3.36Å; L2239-L2243 WeakPolarHBondContact O-CG 3.14Å; L2239-L2243 PolarHBondContact O-N 2.71Å; L2239-L2261 HydrophobicContact CD2-CD2 3.5Å; L2239-L2264 HydrophobicContact CD1-CD2 3.47Å; L2239-L2264 VanDerWaalsContact CD1-CD2 3.47Å; L2239-L2264 HydrophobicContact CD1-CG 4.2Å; L2239-L2264 HydrophobicContact CD2-CD2 4.33Å; L2239-L2264 HydrophobicContact CG-CD2 3.95Å |
| 2240 | V | 48.4 | Very low | 48.8 | Very low | 11 Ų | 11 | 35.6 Ų | 35.6 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | 178.9 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | A2236 H2237 L2243 D2244 S2287 | A2236-V2240 VanDerWaalsContact O-CG2 3.23Å; A2236-V2240 WeakPolarHBondContact O-CG2 3.35Å; A2236-V2240 PolarHBondContact O-N 2.84Å; H2237-V2240 WeakPolarHBondContact O-CB 3.24Å; H2237-V2240 PolarHBondContact O-N 3.16Å; V2240-L2243 PolarHBondContact O-N 3.21Å; V2240-D2244 PolarHBondContact O-N 3.5Å; V2240-S2287 VanDerWaalsContact CG1-CB 3.48Å; V2240-S2287 WeakPolarHBondContact CG2-OG 3.47Å |
| 2241 | C | 49.1 | Very low | 49.2 | Very low | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.3 | -34 | -177.9 | -53.4 | 0 | 0 | 0 | 0 | 112 | F2083 F2193 H2237 L2238 L2239 L2243 | F2083-C2241 HydrophobicContact CD2-CB 4.37Å; F2193-C2241 HydrophobicContact CD2-CB 3.38Å; F2193-C2241 HydrophobicContact CE2-CB 3.17Å; F2193-C2241 WeakPolarHBondContact CE2-O 3.23Å; F2193-C2241 HydrophobicContact CG-CB 4.22Å; F2193-C2241 HydrophobicContact CZ-CB 3.78Å; H2237-C2241 PolarHBondContact O-N 3.04Å; H2237-C2241 PolarHBondContact O-SG 2.78Å; L2238-C2241 PolarHBondContact O-N 3.4Å; L2239-C2241 VanDerWaalsContact C-N 3.31Å; L2239-C2241 PolarHBondContact O-N 2.83Å; C2241-L2243 VanDerWaalsContact C-N 3.27Å; C2241-L2243 PolarHBondContact O-N 3Å |
| 2242 | Q | 51.4 | Low | 49.6 | Very low | 19 Ų | 19 | 35.6 Ų | 35.6 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -37.6 | 169.4 | -82.6 | 179.3 | -6 | 0 | 0 | 111.9 | L2196 L2238 L2239 L2245 | L2196-Q2242 HydrophobicContact CD1-CG 3.78Å; L2238-Q2242 WeakPolarHBondContact O-CB 3.37Å; L2238-Q2242 WeakPolarHBondContact O-CG 3.43Å; L2238-Q2242 PolarHBondContact O-N 2.92Å; L2239-Q2242 PolarHBondContact O-N 3.2Å; Q2242-L2245 PolarHBondContact O-N 3.39Å |
| 2243 | L | 48.7 | Very low | 50 | Low | 18 Ų | 18 | 34.9 Ų | 34.9 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -77.1 | -30.6 | -175.3 | -73.5 | 174.2 | 0 | 0 | 0 | 112.3 | L2239 V2240 C2241 L2245 L2246 L2261 L2291 | L2239-L2243 HydrophobicContact CD2-CD1 3.76Å; L2239-L2243 HydrophobicContact CD2-CG 4.13Å; L2239-L2243 WeakPolarHBondContact O-CB 2.82Å; L2239-L2243 WeakPolarHBondContact O-CD1 3.36Å; L2239-L2243 WeakPolarHBondContact O-CG 3.14Å; L2239-L2243 PolarHBondContact O-N 2.71Å; V2240-L2243 PolarHBondContact O-N 3.21Å; C2241-L2243 VanDerWaalsContact C-N 3.27Å; C2241-L2243 PolarHBondContact O-N 3Å; L2243-L2245 PolarHBondContact O-N 3.13Å; L2243-L2246 VanDerWaalsContact CA-CD1 3.45Å; L2243-L2246 HydrophobicContact CB-CD1 4.21Å; L2243-L2246 HydrophobicContact CD2-CD1 3.63Å; L2243-L2246 HydrophobicContact CG-CD1 4.44Å; L2243-L2246 WeakPolarHBondContact O-CB 3.3Å; L2243-L2246 WeakPolarHBondContact O-CD1 3.29Å; L2243-L2246 PolarHBondContact O-N 3.23Å; L2243-L2261 HydrophobicContact CD2-CD1 4.03Å; L2243-L2261 HydrophobicContact CD2-CD2 4.12Å; L2243-L2291 VanDerWaalsContact C-CD1 3.46Å; L2243-L2291 HydrophobicContact CB-CD1 3.09Å; L2243-L2291 HydrophobicContact CB-CD2 3.5Å; L2243-L2291 VanDerWaalsContact CB-CD2 3.5Å; L2243-L2291 HydrophobicContact CB-CG 3.71Å; L2243-L2291 HydrophobicContact CD1-CD1 4.15Å; L2243-L2291 HydrophobicContact CD1-CD2 4.28Å; L2243-L2291 HydrophobicContact CD2-CD2 3.71Å; L2243-L2291 HydrophobicContact CG-CD1 4.19Å; L2243-L2291 HydrophobicContact CG-CD2 4.02Å |
| 2244 | D | 46.7 | Very low | 50.4 | Low | 32 Ų | 32 | 33.7 Ų | 33.7 | 17% | 0.171 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.6 | -22.4 | 173.4 | -84.6 | -10.8 | 0 | 0 | 0 | 113.3 | V2240 P2247 | V2240-D2244 PolarHBondContact O-N 3.5Å; D2244-P2247 WeakPolarHBondContact O-CD 3.36Å |
| 2245 | L | 51.8 | Low | 51 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -12.8 | -179.3 | -68 | 165.4 | 0 | 0 | 0 | 113.2 | F2193 L2196 K2197 Q2242 L2243 P2247 H2248 W2249 | F2193-L2245 HydrophobicContact CE2-CD1 3.79Å; F2193-L2245 HydrophobicContact CZ-CD1 4.43Å; L2196-L2245 HydrophobicContact CB-CD1 4.27Å; K2197-L2245 HydrophobicContact CB-CD1 4.15Å; K2197-L2245 HydrophobicContact CB-CD2 4.26Å; K2197-L2245 HydrophobicContact CG-CD2 3.94Å; Q2242-L2245 PolarHBondContact O-N 3.39Å; L2243-L2245 PolarHBondContact O-N 3.13Å; L2245-P2247 VanDerWaalsContact C-N 3.34Å; L2245-P2247 WeakPolarHBondContact O-CD 3.38Å; L2245-P2247 VanDerWaalsContact O-N 3.16Å; L2245-H2248 PolarHBondContact O-N 3.01Å; L2245-H2248 VanDerWaalsContact O-N 3.16Å; L2245-W2249 PolarHBondContact O-NE1 3.15Å |
| 2246 | L | 51.9 | Low | 51.5 | Low | 22 Ų | 22 | 44.7 Ų | 44.7 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -50 | -36 | -176.5 | -102.1 | 98.9 | 0 | 0 | 0 | 116.4 | L2243 H2248 W2249 L2254 L2291 | L2243-L2246 VanDerWaalsContact CA-CD1 3.45Å; L2243-L2246 HydrophobicContact CB-CD1 4.21Å; L2243-L2246 HydrophobicContact CD2-CD1 3.63Å; L2243-L2246 HydrophobicContact CG-CD1 4.44Å; L2243-L2246 WeakPolarHBondContact O-CB 3.3Å; L2243-L2246 WeakPolarHBondContact O-CD1 3.29Å; L2243-L2246 PolarHBondContact O-N 3.23Å; L2246-H2248 PolarHBondContact O-N 3.06Å; L2246-H2248 VanDerWaalsContact O-N 3.12Å; L2246-W2249 PolarHBondContact O-N 2.85Å; L2246-L2254 HydrophobicContact CB-CD2 4.5Å; L2246-L2254 HydrophobicContact CD2-CD1 4.38Å; L2246-L2254 HydrophobicContact CD2-CD2 3.36Å; L2246-L2254 HydrophobicContact CD2-CG 4.48Å; L2246-L2254 HydrophobicContact CG-CD2 3.62Å; L2246-L2291 HydrophobicContact CD1-CD2 4.35Å |
| 2247 | P | 50.1 | Low | 52 | Low | 63 Ų | 63 | 45.3 Ų | 45.3 | 41% | 0.409 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -63 | -18.1 | -178.7 | -23.1 | 33.6 | 0 | 0 | 0 | 114.5 | D2244 L2245 | D2244-P2247 WeakPolarHBondContact O-CD 3.36Å; L2245-P2247 VanDerWaalsContact C-N 3.34Å; L2245-P2247 WeakPolarHBondContact O-CD 3.38Å; L2245-P2247 VanDerWaalsContact O-N 3.16Å |
| 2248 | H | 51.1 | Low | 52.5 | Low | 48 Ų | 48 | 43.6 Ų | 43.6 | 22% | 0.222 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -98.3 | 1.6 | -177.6 | -58.2 | -50.1 | 0 | 0 | 0 | 113.5 | P2085 S2203 T2204 L2245 L2246 | P2085-H2248 WeakPolarHBondContact CD-NE2 3.33Å; P2085-H2248 VanDerWaalsContact CG-NE2 3.27Å; P2085-H2248 WeakPolarHBondContact CG-NE2 3.23Å; S2203-H2248 PolarHBondContact OG-O 2.9Å; T2204-H2248 HydrophobicContact CG2-CB 4.26Å; T2204-H2248 WeakPolarHBondContact CG2-O 3.27Å; L2245-H2248 PolarHBondContact O-N 3.01Å; L2245-H2248 VanDerWaalsContact O-N 3.16Å; L2246-H2248 PolarHBondContact O-N 3.06Å; L2246-H2248 VanDerWaalsContact O-N 3.12Å |
| 2249 | W | 54 | Low | 52.9 | Low | 21 Ų | 21 | 46.3 Ų | 46.3 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -95.6 | 141.1 | -174.3 | -70 | 44.1 | 0 | 0 | 0 | 110.4 | L2196 I2217 I2221 L2245 L2246 C2253 L2254 L2257 | L2196-W2249 HydrophobicContact CD2-CH2 3.51Å; L2196-W2249 HydrophobicContact CD2-CZ2 3.57Å; I2217-W2249 HydrophobicContact CG2-CE3 4Å; I2217-W2249 HydrophobicContact CG2-CH2 3.18Å; I2217-W2249 HydrophobicContact CG2-CZ2 4.2Å; I2217-W2249 HydrophobicContact CG2-CZ3 3.07Å; I2221-W2249 HydrophobicContact CD1-CH2 3.41Å; I2221-W2249 VanDerWaalsContact CD1-CH2 3.41Å; I2221-W2249 HydrophobicContact CD1-CZ3 3.72Å; L2245-W2249 PolarHBondContact O-NE1 3.15Å; L2246-W2249 PolarHBondContact O-N 2.85Å; W2249-C2253 HydrophobicContact CE3-CB 4.47Å; W2249-L2254 HydrophobicContact CB-CD2 4.25Å; W2249-L2254 HydrophobicContact CB-CG 4.41Å; W2249-L2257 HydrophobicContact CZ3-CD1 4.04Å |
| 2250 | N | 56.3 | Low | 53.3 | Low | 64 Ų | 64 | 48.4 Ų | 48.4 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | trans | -59.6 | 130.5 | 177.2 | -170.6 | -35.2 | 0 | 0 | 0 | 109.7 | N2252 C2253 | N2250-N2252 PolarHBondContact O-N 2.91Å; N2250-N2252 PolarHBondContact OD1-N 3.43Å; N2250-C2253 WeakPolarHBondContact O-CB 3.16Å; N2250-C2253 PolarHBondContact O-N 2.95Å | ||
| 2251 | P | 53.8 | Low | 53.6 | Low | 84 Ų | 84 | 48.9 Ų | 48.9 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54.9 | -25.6 | -176.4 | 15.9 | -30 | 0 | 0 | 0 | 114.2 | L2254 | P2251-L2254 PolarHBondContact O-N 3.26Å |
| 2252 | N | 53.6 | Low | 53.9 | Low | 82 Ų | 82 | 50 Ų | 50 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.4 | -29.1 | 173.8 | -70.4 | -39.9 | 0 | 0 | 0 | 113.9 | N2250 | N2250-N2252 PolarHBondContact O-N 2.91Å; N2250-N2252 PolarHBondContact OD1-N 3.43Å |
| 2253 | C | 54.7 | Low | 54 | Low | 19 Ų | 19 | 54.1 Ų | 54.1 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71 | -37.5 | 174 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | Q2214 W2249 N2250 R2255 H2256 | Q2214-C2253 WeakPolarHBondContact CG-SG 3.32Å; Q2214-C2253 PolarHBondContact NE2-SG 3.33Å; W2249-C2253 HydrophobicContact CE3-CB 4.47Å; N2250-C2253 WeakPolarHBondContact O-CB 3.16Å; N2250-C2253 PolarHBondContact O-N 2.95Å; C2253-R2255 VanDerWaalsContact C-N 3.33Å; C2253-R2255 PolarHBondContact O-N 2.77Å; C2253-H2256 PolarHBondContact O-N 3.33Å |
| 2254 | L | 54.2 | Low | 54.3 | Low | 33 Ų | 33 | 55 Ų | 55 | 17% | 0.173 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -39.6 | -178.5 | -67.5 | 176.9 | 0 | 0 | 0 | 111.8 | L2246 W2249 P2251 H2256 L2257 F2258 | L2246-L2254 HydrophobicContact CB-CD2 4.5Å; L2246-L2254 HydrophobicContact CD2-CD1 4.38Å; L2246-L2254 HydrophobicContact CD2-CD2 3.36Å; L2246-L2254 HydrophobicContact CD2-CG 4.48Å; L2246-L2254 HydrophobicContact CG-CD2 3.62Å; W2249-L2254 HydrophobicContact CB-CD2 4.25Å; W2249-L2254 HydrophobicContact CB-CG 4.41Å; P2251-L2254 PolarHBondContact O-N 3.26Å; L2254-H2256 VanDerWaalsContact C-N 3.27Å; L2254-H2256 PolarHBondContact O-N 2.98Å; L2254-L2257 PolarHBondContact O-N 2.77Å; L2254-L2257 VanDerWaalsContact O-N 3.17Å; L2254-F2258 HydrophobicContact CB-CE2 4.48Å; L2254-F2258 VanDerWaalsContact O-CD2 3.29Å; L2254-F2258 WeakPolarHBondContact O-CD2 3.42Å; L2254-F2258 PolarHBondContact O-N 3.48Å |
| 2255 | R | 55.6 | Low | 54.5 | Low | 144 Ų | 144 | 54.8 Ų | 54.8 | 54% | 0.543 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.7 | -32.8 | 178.9 | -76.8 | -176.7 | -179.3 | 179.9 | -0.8 | 114.4 | C2253 D2301 | C2253-R2255 VanDerWaalsContact C-N 3.33Å; C2253-R2255 PolarHBondContact O-N 2.77Å; R2255-D2301 IonicContact CZ-OD2 2.67Å; R2255-D2301 IonicContact NE-OD2 2.66Å; R2255-D2301 IonicContact NH2-OD1 3.29Å; R2255-D2301 PolarHBondContact NH2-OD1 3.03Å; R2255-D2301 IonicContact NH2-OD2 3.4Å; R2255-D2301 PolarHBondContact NH2-OD2 3.08Å |
| 2256 | H | 58.5 | Low | 54.6 | Low | 143 Ų | 143 | 57.2 Ų | 57.2 | 66% | 0.662 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -85.3 | -19.1 | -179 | -72.7 | -60.9 | 0 | 0 | 0 | 113.9 | C2253 L2254 | C2253-H2256 PolarHBondContact O-N 3.33Å; L2254-H2256 VanDerWaalsContact C-N 3.27Å; L2254-H2256 PolarHBondContact O-N 2.98Å |
| 2257 | L | 55.2 | Low | 54.6 | Low | 16 Ų | 16 | 62.6 Ų | 62.6 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -97.8 | -17.6 | -172.7 | -133.7 | 131.5 | 0 | 0 | 0 | 113 | T2218 I2221 W2249 L2254 T2260 L2261 | T2218-L2257 HydrophobicContact CG2-CD1 4.2Å; I2221-L2257 HydrophobicContact CD1-CD1 3.61Å; I2221-L2257 HydrophobicContact CD1-CD2 3.95Å; I2221-L2257 HydrophobicContact CD1-CG 4.33Å; I2221-L2257 HydrophobicContact CG2-CD2 4.2Å; W2249-L2257 HydrophobicContact CZ3-CD1 4.04Å; L2254-L2257 PolarHBondContact O-N 2.77Å; L2254-L2257 VanDerWaalsContact O-N 3.17Å; L2257-T2260 PolarHBondContact O-OG1 3.29Å; L2257-T2260 VanDerWaalsContact O-OG1 3.13Å; L2257-L2261 HydrophobicContact CD2-CD1 3.57Å; L2257-L2261 HydrophobicContact CD2-CG 4.01Å; L2257-L2261 PolarHBondContact O-N 3.36Å |
| 2258 | F | 58.7 | Low | 54.6 | Low | 56 Ų | 56 | 60.6 Ų | 60.6 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | -176.4 | -110 | -72.2 | 0 | 0 | 0 | 115.9 | L2254 L2261 S2262 C2305 L2309 | L2254-F2258 HydrophobicContact CB-CE2 4.48Å; L2254-F2258 VanDerWaalsContact O-CD2 3.29Å; L2254-F2258 WeakPolarHBondContact O-CD2 3.42Å; L2254-F2258 PolarHBondContact O-N 3.48Å; F2258-L2261 PolarHBondContact O-N 3.1Å; F2258-S2262 PolarHBondContact O-N 3Å; F2258-C2305 HydrophobicContact CD1-CB 4.07Å; F2258-C2305 VanDerWaalsContact CD1-SG 3.53Å; F2258-C2305 WeakPolarHBondContact CD2-SG 3.38Å; F2258-C2305 HydrophobicContact CE1-CB 3.35Å; F2258-C2305 WeakPolarHBondContact CE1-SG 3.1Å; F2258-C2305 HydrophobicContact CE2-CB 3.93Å; F2258-C2305 WeakPolarHBondContact CE2-SG 3.39Å; F2258-C2305 VanDerWaalsContact CG-SG 3.59Å; F2258-C2305 HydrophobicContact CZ-CB 3.28Å; F2258-C2305 WeakPolarHBondContact CZ-SG 3.33Å; F2258-L2309 HydrophobicContact CE1-CD1 4.45Å |
| 2259 | P | 57.7 | Low | 54.5 | Low | 77 Ų | 77 | 62 Ų | 62 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | -179.7 | -19.5 | 31.3 | 0 | 0 | 0 | 112.7 | S2262 D2263 | P2259-S2262 PolarHBondContact O-N 3.46Å; P2259-S2262 PolarHBondContact O-OG 2.86Å; P2259-D2263 PolarHBondContact O-N 3.48Å; P2259-D2263 VanDerWaalsContact O-N 3.11Å |
| 2260 | T | 57.3 | Low | 54.2 | Low | 56 Ų | 56 | 65.2 Ų | 65.2 | 34% | 0.344 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 178.8 | 14.4 | 0 | 0 | 0 | 0 | 111.8 | L2257 L2264 | L2257-T2260 PolarHBondContact O-OG1 3.29Å; L2257-T2260 VanDerWaalsContact O-OG1 3.13Å; T2260-L2264 WeakPolarHBondContact O-CB 3.4Å; T2260-L2264 PolarHBondContact O-N 3.19Å |
| 2261 | L | 54.5 | Low | 53.8 | Low | 20 Ų | 20 | 66.8 Ų | 66.8 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 172.9 | -79.5 | 168.3 | 0 | 0 | 0 | 112.6 | L2239 L2243 L2257 F2258 V2265 | L2239-L2261 HydrophobicContact CD2-CD2 3.5Å; L2243-L2261 HydrophobicContact CD2-CD1 4.03Å; L2243-L2261 HydrophobicContact CD2-CD2 4.12Å; L2257-L2261 HydrophobicContact CD2-CD1 3.57Å; L2257-L2261 HydrophobicContact CD2-CG 4.01Å; L2257-L2261 PolarHBondContact O-N 3.36Å; F2258-L2261 PolarHBondContact O-N 3.1Å; L2261-V2265 VanDerWaalsContact O-CG2 3.31Å; L2261-V2265 WeakPolarHBondContact O-CG2 3.33Å; L2261-V2265 PolarHBondContact O-N 3.46Å; L2261-V2265 VanDerWaalsContact O-N 3.12Å |
| 2262 | S | 55.6 | Low | 53.4 | Low | 32 Ų | 32 | 65.1 Ų | 65.1 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 179.9 | 69.3 | 0 | 0 | 0 | 0 | 113 | F2258 P2259 L2266 | F2258-S2262 PolarHBondContact O-N 3Å; P2259-S2262 PolarHBondContact O-N 3.46Å; P2259-S2262 PolarHBondContact O-OG 2.86Å; S2262-L2266 PolarHBondContact O-N 3.49Å; S2262-L2266 VanDerWaalsContact O-N 3.13Å |
| 2263 | D | 54.7 | Low | 52.9 | Low | 107 Ų | 107 | 64.4 Ų | 64.4 | 57% | 0.572 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67 | -40 | 177.6 | -76.3 | -16.2 | 0 | 0 | 0 | 111.5 | P2259 L2266 Q2267 | P2259-D2263 PolarHBondContact O-N 3.48Å; P2259-D2263 VanDerWaalsContact O-N 3.11Å; D2263-L2266 WeakPolarHBondContact O-CB 3.4Å; D2263-L2266 PolarHBondContact O-N 3.04Å; D2263-Q2267 WeakPolarHBondContact O-CB 3.33Å; D2263-Q2267 PolarHBondContact O-N 3.01Å |
| 2264 | L | 53.8 | Low | 52.3 | Low | 37 Ų | 37 | 66.8 Ų | 66.8 | 19% | 0.194 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66 | -41.5 | 179.3 | -159.9 | 77.8 | 0 | 0 | 0 | 112.1 | I2225 L2239 T2260 Q2267 C2268 | I2225-L2264 HydrophobicContact CG2-CD1 4.19Å; L2239-L2264 HydrophobicContact CD1-CD2 3.47Å; L2239-L2264 VanDerWaalsContact CD1-CD2 3.47Å; L2239-L2264 HydrophobicContact CD1-CG 4.2Å; L2239-L2264 HydrophobicContact CD2-CD2 4.33Å; L2239-L2264 HydrophobicContact CG-CD2 3.95Å; T2260-L2264 WeakPolarHBondContact O-CB 3.4Å; T2260-L2264 PolarHBondContact O-N 3.19Å; L2264-Q2267 PolarHBondContact O-N 3.12Å; L2264-C2268 PolarHBondContact O-N 2.75Å; L2264-C2268 PolarHBondContact O-SG 2.98Å; L2264-C2268 VanDerWaalsContact O-SG 3.39Å |
| 2265 | V | 51.8 | Low | 51.7 | Low | 26 Ų | 26 | 70.6 Ų | 70.6 | 16% | 0.158 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 175.5 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L2261 C2268 V2269 L2309 | L2261-V2265 VanDerWaalsContact O-CG2 3.31Å; L2261-V2265 WeakPolarHBondContact O-CG2 3.33Å; L2261-V2265 PolarHBondContact O-N 3.46Å; L2261-V2265 VanDerWaalsContact O-N 3.12Å; V2265-C2268 PolarHBondContact O-N 2.93Å; V2265-V2269 HydrophobicContact CG1-CG2 4.44Å; V2265-V2269 VanDerWaalsContact O-CG2 3.29Å; V2265-V2269 WeakPolarHBondContact O-CG2 3.29Å; V2265-V2269 PolarHBondContact O-N 3.36Å; V2265-L2309 HydrophobicContact CG1-CD2 4.25Å |
| 2266 | L | 52.9 | Low | 50.8 | Low | 51 Ų | 51 | 74.3 Ų | 74.3 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 173.3 | -100.1 | 156.1 | 0 | 0 | 0 | 112.1 | S2262 D2263 V2269 C2270 L2312 V2316 | S2262-L2266 PolarHBondContact O-N 3.49Å; S2262-L2266 VanDerWaalsContact O-N 3.13Å; D2263-L2266 WeakPolarHBondContact O-CB 3.4Å; D2263-L2266 PolarHBondContact O-N 3.04Å; L2266-V2269 PolarHBondContact O-N 2.83Å; L2266-C2270 WeakPolarHBondContact O-CB 3.18Å; L2266-C2270 PolarHBondContact O-N 3.39Å; L2266-C2270 PolarHBondContact O-SG 3.3Å; L2266-C2270 VanDerWaalsContact O-SG 3.33Å; L2266-L2312 HydrophobicContact CD1-CD1 4.05Å; L2266-L2312 HydrophobicContact CD1-CD2 3.84Å; L2266-L2312 HydrophobicContact CD2-CD2 4.24Å; L2266-L2312 HydrophobicContact CG-CD2 4.37Å; L2266-V2316 HydrophobicContact CD2-CG2 4.18Å |
| 2267 | Q | 52.9 | Low | 50 | Low | 135 Ų | 135 | 71.7 Ų | 71.7 | 63% | 0.631 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.3 | -38.3 | -179.2 | -150.7 | 173.3 | 8 | 0 | 0 | 112.1 | D2263 L2264 T2271 | D2263-Q2267 WeakPolarHBondContact O-CB 3.33Å; D2263-Q2267 PolarHBondContact O-N 3.01Å; L2264-Q2267 PolarHBondContact O-N 3.12Å; Q2267-T2271 WeakPolarHBondContact O-CG2 3.38Å; Q2267-T2271 PolarHBondContact O-N 3.47Å; Q2267-T2271 PolarHBondContact O-OG1 3.16Å |
| 2268 | C | 49.6 | Very low | 49.3 | Very low | 21 Ų | 21 | 73.3 Ų | 73.3 | 14% | 0.142 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 171.7 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | L2264 V2265 C2270 T2271 F2272 | L2264-C2268 PolarHBondContact O-N 2.75Å; L2264-C2268 PolarHBondContact O-SG 2.98Å; L2264-C2268 VanDerWaalsContact O-SG 3.39Å; V2265-C2268 PolarHBondContact O-N 2.93Å; C2268-C2270 PolarHBondContact O-N 3.2Å; C2268-T2271 PolarHBondContact O-N 3.11Å; C2268-T2271 PolarHBondContact O-OG1 3.24Å; C2268-F2272 WeakPolarHBondContact O-CD2 3.38Å |
| 2269 | V | 48.6 | Very low | 48.5 | Very low | 78 Ų | 78 | 77 Ų | 77 | 47% | 0.473 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.3 | -36.7 | -178.7 | 173.3 | 0 | 0 | 0 | 0 | 112.4 | V2265 L2266 | V2265-V2269 HydrophobicContact CG1-CG2 4.44Å; V2265-V2269 VanDerWaalsContact O-CG2 3.29Å; V2265-V2269 WeakPolarHBondContact O-CG2 3.29Å; V2265-V2269 PolarHBondContact O-N 3.36Å; L2266-V2269 PolarHBondContact O-N 2.83Å |
| 2270 | C | 48.6 | Very low | 47.6 | Very low | 88 Ų | 88 | 74.8 Ų | 74.8 | 60% | 0.595 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -72.1 | -26.9 | 179.2 | -71.4 | 0 | 0 | 0 | 0 | 114.2 | L2266 C2268 | L2266-C2270 WeakPolarHBondContact O-CB 3.18Å; L2266-C2270 PolarHBondContact O-N 3.39Å; L2266-C2270 PolarHBondContact O-SG 3.3Å; L2266-C2270 VanDerWaalsContact O-SG 3.33Å; C2268-C2270 PolarHBondContact O-N 3.2Å |
| 2271 | T | 46.6 | Very low | 46.9 | Very low | 98 Ų | 98 | 74.7 Ų | 74.7 | 60% | 0.601 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -80.3 | -27.9 | -177.9 | 41.5 | 0 | 0 | 0 | 0 | 113.4 | Q2267 C2268 G2273 | Q2267-T2271 WeakPolarHBondContact O-CG2 3.38Å; Q2267-T2271 PolarHBondContact O-N 3.47Å; Q2267-T2271 PolarHBondContact O-OG1 3.16Å; C2268-T2271 PolarHBondContact O-N 3.11Å; C2268-T2271 PolarHBondContact O-OG1 3.24Å; T2271-G2273 VanDerWaalsContact C-N 3.33Å; T2271-G2273 PolarHBondContact O-N 2.68Å; T2271-G2273 VanDerWaalsContact O-N 3.15Å |
| 2272 | F | 46.9 | Very low | 46.3 | Very low | 48 Ų | 48 | 74.5 Ų | 74.5 | 21% | 0.211 | 42% | 0.417 | C | S | . | . | trans | -85.7 | 37 | -177.4 | -69.9 | -68.2 | 0 | 0 | 0 | 115.3 | A2232 C2268 A2274 R2281 | A2232-F2272 HydrophobicContact CB-CE2 4.36Å; A2232-F2272 HydrophobicContact CB-CZ 3.79Å; C2268-F2272 WeakPolarHBondContact O-CD2 3.38Å; F2272-A2274 PolarHBondContact O-N 2.9Å; F2272-R2281 HydrophobicContact CB-CG 4.42Å; F2272-R2281 PolarHBondContact O-NE 2.94Å; F2272-R2281 PolarHBondContact O-NH1 3.44Å; F2272-R2281 PolarHBondContact O-NH2 3.4Å | ||
| 2273 | G | 43.4 | Very low | 45.6 | Very low | 67 Ų | 67 | 75.5 Ų | 75.5 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | trans | -68 | -20.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | T2271 | T2271-G2273 VanDerWaalsContact C-N 3.33Å; T2271-G2273 PolarHBondContact O-N 2.68Å; T2271-G2273 VanDerWaalsContact O-N 3.15Å | ||
| 2274 | A | 40.6 | Very low | 45 | Very low | 69 Ų | 69 | 71.9 Ų | 71.9 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -92.6 | 135.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F2272 R2276 R2281 | F2272-A2274 PolarHBondContact O-N 2.9Å; A2274-R2276 VanDerWaalsContact C-N 3.25Å; A2274-R2276 PolarHBondContact O-N 3.38Å; A2274-R2281 PolarHBondContact O-NH2 3.45Å |
| 2275 | P | 42.8 | Very low | 44.5 | Very low | 114 Ų | 114 | 72 Ų | 72 | 74% | 0.74 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 2.4 | -162.2 | 27.1 | -36.6 | 0 | 0 | 0 | 117.8 | ||
| 2276 | R | 37 | Very low | 44.1 | Very low | 222 Ų | 222 | 71.9 Ų | 71.9 | 84% | 0.838 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -27.5 | -170 | -75.8 | -172.8 | 174.6 | -177.3 | -0.8 | 115.4 | A2274 V2278 | A2274-R2276 VanDerWaalsContact C-N 3.25Å; A2274-R2276 PolarHBondContact O-N 3.38Å; R2276-V2278 PolarHBondContact O-N 2.89Å |
| 2277 | D | 41 | Very low | 43.6 | Very low | 87 Ų | 87 | 69.8 Ų | 69.8 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | trans | -106.2 | 84.3 | -175.2 | -58 | -36.2 | 0 | 0 | 0 | 111.5 | R2281 | D2277-R2281 WeakPolarHBondContact O-CG 3.43Š| ||
| 2278 | V | 41.3 | Very low | 43.2 | Very low | 51 Ų | 51 | 65.2 Ų | 65.2 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -89.9 | -34.1 | -172.5 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | R2276 L2280 V2282 K2336 | R2276-V2278 PolarHBondContact O-N 2.89Å; V2278-L2280 PolarHBondContact O-N 2.92Å; V2278-V2282 WeakPolarHBondContact O-CG2 3.27Å; V2278-V2282 PolarHBondContact O-N 3.2Å; V2278-K2336 HydrophobicContact CG1-CD 3.48Å; V2278-K2336 VanDerWaalsContact CG1-CD 3.48Å |
| 2279 | E | 39.9 | Very low | 42.8 | Very low | 133 Ų | 133 | 66 Ų | 66 | 62% | 0.621 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.4 | -35.3 | -176.3 | -74.6 | -174.9 | 151.2 | 0 | 0 | 112.4 | V2282 S2283 | E2279-V2282 PolarHBondContact O-N 2.9Å; E2279-S2283 PolarHBondContact O-N 3.37Å |
| 2280 | L | 40.4 | Very low | 42.4 | Very low | 31 Ų | 31 | 63.7 Ų | 63.7 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -75.6 | -37.3 | -179.4 | -99.1 | 114.3 | 0 | 0 | 0 | 115 | H2233 V2278 V2282 S2283 L2284 | H2233-L2280 HydrophobicContact CB-CD2 3.87Å; H2233-L2280 WeakPolarHBondContact CD2-CD1 3.5Å; H2233-L2280 WeakPolarHBondContact CD2-CD2 3.28Å; H2233-L2280 WeakPolarHBondContact NE2-CD1 3.39Å; H2233-L2280 WeakPolarHBondContact NE2-CD2 3.44Å; V2278-L2280 PolarHBondContact O-N 2.92Å; L2280-V2282 PolarHBondContact O-N 3.4Å; L2280-S2283 PolarHBondContact O-N 3.43Å; L2280-S2283 PolarHBondContact O-OG 3.35Å; L2280-L2284 PolarHBondContact O-N 3.49Å; L2280-L2284 VanDerWaalsContact O-N 3.1Å |
| 2281 | R | 42.9 | Very low | 42 | Very low | 53 Ų | 53 | 60.7 Ų | 60.7 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.1 | -31.6 | 173.9 | -62.5 | -175.5 | -160.4 | -166.3 | 3.5 | 111.4 | F2272 A2274 D2277 S2285 L2333 | F2272-R2281 HydrophobicContact CB-CG 4.42Å; F2272-R2281 PolarHBondContact O-NE 2.94Å; F2272-R2281 PolarHBondContact O-NH1 3.44Å; F2272-R2281 PolarHBondContact O-NH2 3.4Å; A2274-R2281 PolarHBondContact O-NH2 3.45Å; D2277-R2281 WeakPolarHBondContact O-CG 3.43Å; R2281-S2285 VanDerWaalsContact O-CB 3.23Å; R2281-S2285 WeakPolarHBondContact O-CB 3.35Å; R2281-S2285 PolarHBondContact O-N 3.45Å; R2281-S2285 VanDerWaalsContact O-N 3.15Å; R2281-S2285 PolarHBondContact O-OG 3.16Å; R2281-L2333 HydrophobicContact CB-CD1 4.07Å; R2281-L2333 HydrophobicContact CB-CD2 3.5Å; R2281-L2333 VanDerWaalsContact CB-CD2 3.5Å; R2281-L2333 HydrophobicContact CB-CG 4.21Å; R2281-L2333 WeakPolarHBondContact O-CD2 3.44Å |
| 2282 | V | 42 | Very low | 41.8 | Very low | 17 Ų | 17 | 59.3 Ų | 59.3 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.7 | -45.6 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | V2278 E2279 L2280 S2285 L2286 L2333 K2336 A2337 | V2278-V2282 WeakPolarHBondContact O-CG2 3.27Å; V2278-V2282 PolarHBondContact O-N 3.2Å; E2279-V2282 PolarHBondContact O-N 2.9Å; L2280-V2282 PolarHBondContact O-N 3.4Å; V2282-S2285 PolarHBondContact O-N 3.13Å; V2282-S2285 PolarHBondContact O-OG 3.07Å; V2282-L2286 HydrophobicContact CG1-CD1 3.44Å; V2282-L2286 VanDerWaalsContact CG1-CD1 3.44Å; V2282-L2286 HydrophobicContact CG1-CG 4.4Å; V2282-L2286 VanDerWaalsContact O-CB 3.25Å; V2282-L2286 WeakPolarHBondContact O-CB 3.27Å; V2282-L2286 VanDerWaalsContact O-CD1 3.25Å; V2282-L2286 WeakPolarHBondContact O-CD1 3.36Å; V2282-L2286 VanDerWaalsContact O-CG 3.28Å; V2282-L2286 WeakPolarHBondContact O-CG 3.22Å; V2282-L2286 PolarHBondContact O-N 3.08Å; V2282-L2333 HydrophobicContact CG2-CD2 4.19Å; V2282-K2336 HydrophobicContact CG2-CB 4.29Å; V2282-A2337 HydrophobicContact CG1-CB 3.92Å |
| 2283 | S | 40.7 | Very low | 41.4 | Very low | 53 Ų | 53 | 59 Ų | 59 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 178.6 | 68.2 | 0 | 0 | 0 | 0 | 113.9 | E2279 L2280 S2287 | E2279-S2283 PolarHBondContact O-N 3.37Å; L2280-S2283 PolarHBondContact O-N 3.43Å; L2280-S2283 PolarHBondContact O-OG 3.35Å; S2283-S2287 PolarHBondContact O-N 3.47Å; S2283-S2287 PolarHBondContact O-OG 3.46Å |
| 2284 | L | 41.3 | Very low | 41.2 | Very low | 31 Ų | 31 | 61.9 Ų | 61.9 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.3 | -37.2 | 178.7 | -109.2 | 124.3 | 0 | 0 | 0 | 113.5 | A2236 L2280 S2287 V2288 | A2236-L2284 HydrophobicContact CB-CD1 3.3Å; A2236-L2284 HydrophobicContact CB-CD2 3.62Å; A2236-L2284 HydrophobicContact CB-CG 3.45Å; A2236-L2284 VanDerWaalsContact CB-CG 3.45Å; L2280-L2284 PolarHBondContact O-N 3.49Å; L2280-L2284 VanDerWaalsContact O-N 3.1Å; L2284-S2287 PolarHBondContact O-OG 3.23Å; L2284-V2288 WeakPolarHBondContact O-CG2 3.35Å; L2284-V2288 PolarHBondContact O-N 2.94Å |
| 2285 | S | 44.1 | Very low | 41.1 | Very low | 40 Ų | 40 | 60.8 Ų | 60.8 | 28% | 0.28 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -77.7 | -34 | -179.6 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | R2281 V2282 S2287 S2289 | R2281-S2285 VanDerWaalsContact O-CB 3.23Å; R2281-S2285 WeakPolarHBondContact O-CB 3.35Å; R2281-S2285 PolarHBondContact O-N 3.45Å; R2281-S2285 VanDerWaalsContact O-N 3.15Å; R2281-S2285 PolarHBondContact O-OG 3.16Å; V2282-S2285 PolarHBondContact O-N 3.13Å; V2282-S2285 PolarHBondContact O-OG 3.07Å; S2285-S2287 VanDerWaalsContact C-N 3.33Å; S2285-S2287 PolarHBondContact O-N 3.36Å; S2285-S2289 VanDerWaalsContact O-CB 3.27Å; S2285-S2289 WeakPolarHBondContact O-CB 3.21Å; S2285-S2289 PolarHBondContact O-N 3Å; S2285-S2289 PolarHBondContact O-OG 3.42Å |
| 2286 | L | 41.7 | Very low | 40.8 | Very low | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.12 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 174.7 | -87.3 | 159.4 | 0 | 0 | 0 | 112.6 | V2282 S2289 S2290 A2337 L2342 L2346 V2350 | V2282-L2286 HydrophobicContact CG1-CD1 3.44Å; V2282-L2286 VanDerWaalsContact CG1-CD1 3.44Å; V2282-L2286 HydrophobicContact CG1-CG 4.4Å; V2282-L2286 VanDerWaalsContact O-CB 3.25Å; V2282-L2286 WeakPolarHBondContact O-CB 3.27Å; V2282-L2286 VanDerWaalsContact O-CD1 3.25Å; V2282-L2286 WeakPolarHBondContact O-CD1 3.36Å; V2282-L2286 VanDerWaalsContact O-CG 3.28Å; V2282-L2286 WeakPolarHBondContact O-CG 3.22Å; V2282-L2286 PolarHBondContact O-N 3.08Å; L2286-S2289 PolarHBondContact O-N 3.06Å; L2286-S2290 PolarHBondContact O-N 3.13Å; L2286-S2290 PolarHBondContact O-OG 3.18Å; L2286-A2337 HydrophobicContact CD1-CB 4.13Å; L2286-A2337 HydrophobicContact CD2-CB 4.18Å; L2286-A2337 HydrophobicContact CG-CB 3.98Å; L2286-L2342 HydrophobicContact CD1-CD1 3.77Å; L2286-L2342 HydrophobicContact CD1-CD2 3.88Å; L2286-L2342 HydrophobicContact CD1-CG 4.35Å; L2286-L2342 HydrophobicContact CD2-CD1 3.32Å; L2286-L2342 HydrophobicContact CD2-CD2 4.16Å; L2286-L2342 HydrophobicContact CD2-CG 4.4Å; L2286-L2342 HydrophobicContact CG-CD1 4.14Å; L2286-L2346 HydrophobicContact CD2-CD2 4.02Å; L2286-V2350 HydrophobicContact CD2-CG2 4.43Å |
| 2287 | S | 44.3 | Very low | 40.9 | Very low | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -79.6 | -33.3 | -177.2 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | V2240 S2283 L2284 S2285 S2289 S2290 L2291 | V2240-S2287 VanDerWaalsContact CG1-CB 3.48Å; V2240-S2287 WeakPolarHBondContact CG2-OG 3.47Å; S2283-S2287 PolarHBondContact O-N 3.47Å; S2283-S2287 PolarHBondContact O-OG 3.46Å; L2284-S2287 PolarHBondContact O-OG 3.23Å; S2285-S2287 VanDerWaalsContact C-N 3.33Å; S2285-S2287 PolarHBondContact O-N 3.36Å; S2287-S2289 VanDerWaalsContact C-N 3.25Å; S2287-S2289 PolarHBondContact O-N 3.48Å; S2287-S2290 VanDerWaalsContact CA-OG 3.31Å; S2287-S2290 WeakPolarHBondContact CA-OG 3.35Å; S2287-S2290 PolarHBondContact O-OG 3.13Å; S2287-L2291 PolarHBondContact O-N 3.36Å |
| 2288 | V | 42.6 | Very low | 40.5 | Very low | 39 Ų | 39 | 58.2 Ų | 58.2 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.5 | -30.5 | 168.5 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | L2284 L2291 | L2284-V2288 WeakPolarHBondContact O-CG2 3.35Å; L2284-V2288 PolarHBondContact O-N 2.94Å; V2288-L2291 WeakPolarHBondContact O-CB 3.34Å |
| 2289 | S | 42.6 | Very low | 40.2 | Very low | 37 Ų | 37 | 61.8 Ų | 61.8 | 26% | 0.259 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -79.5 | -34.5 | 178.8 | -56.3 | 0 | 0 | 0 | 0 | 113.7 | S2285 L2286 S2287 L2291 L2292 | S2285-S2289 VanDerWaalsContact O-CB 3.27Å; S2285-S2289 WeakPolarHBondContact O-CB 3.21Å; S2285-S2289 PolarHBondContact O-N 3Å; S2285-S2289 PolarHBondContact O-OG 3.42Å; L2286-S2289 PolarHBondContact O-N 3.06Å; S2287-S2289 VanDerWaalsContact C-N 3.25Å; S2287-S2289 PolarHBondContact O-N 3.48Å; S2289-L2291 PolarHBondContact O-N 3.39Å; S2289-L2292 PolarHBondContact O-N 2.96Å |
| 2290 | S | 40.2 | Very low | 40.1 | Very low | 29 Ų | 29 | 60.4 Ų | 60.4 | 20% | 0.203 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.5 | -24.4 | 171.5 | 50 | 0 | 0 | 0 | 0 | 112.3 | L2286 S2287 F2293 F2294 | L2286-S2290 PolarHBondContact O-N 3.13Å; L2286-S2290 PolarHBondContact O-OG 3.18Å; S2287-S2290 VanDerWaalsContact CA-OG 3.31Å; S2287-S2290 WeakPolarHBondContact CA-OG 3.35Å; S2287-S2290 PolarHBondContact O-OG 3.13Å; S2290-F2293 VanDerWaalsContact O-CB 3.32Å; S2290-F2293 WeakPolarHBondContact O-CB 3.41Å; S2290-F2293 PolarHBondContact O-N 3.41Å; S2290-F2294 PolarHBondContact O-N 3.39Å |
| 2291 | L | 39.8 | Very low | 40.2 | Very low | 25 Ų | 25 | 62.7 Ų | 62.7 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -74.3 | -36.1 | 178.3 | -125.3 | 102 | 0 | 0 | 0 | 116 | L2243 L2246 S2287 V2288 S2289 F2293 | L2243-L2291 VanDerWaalsContact C-CD1 3.46Å; L2243-L2291 HydrophobicContact CB-CD1 3.09Å; L2243-L2291 HydrophobicContact CB-CD2 3.5Å; L2243-L2291 VanDerWaalsContact CB-CD2 3.5Å; L2243-L2291 HydrophobicContact CB-CG 3.71Å; L2243-L2291 HydrophobicContact CD1-CD1 4.15Å; L2243-L2291 HydrophobicContact CD1-CD2 4.28Å; L2243-L2291 HydrophobicContact CD2-CD2 3.71Å; L2243-L2291 HydrophobicContact CG-CD1 4.19Å; L2243-L2291 HydrophobicContact CG-CD2 4.02Å; L2246-L2291 HydrophobicContact CD1-CD2 4.35Å; S2287-L2291 PolarHBondContact O-N 3.36Å; V2288-L2291 WeakPolarHBondContact O-CB 3.34Å; S2289-L2291 PolarHBondContact O-N 3.39Å; L2291-F2293 PolarHBondContact O-N 3.14Å; L2291-F2293 VanDerWaalsContact O-N 3.08Å |
| 2292 | L | 43 | Very low | 40.1 | Very low | 69 Ų | 69 | 62.4 Ų | 62.4 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.6 | -12.5 | 172.8 | -84.8 | 160.1 | 0 | 0 | 0 | 111.8 | S2289 A2306 | S2289-L2292 PolarHBondContact O-N 2.96Å; L2292-A2306 HydrophobicContact CD2-CB 4.18Å |
| 2293 | F | 37.7 | Very low | 40.1 | Very low | 42 Ų | 42 | 64.4 Ų | 64.4 | 18% | 0.184 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -102.5 | -33.6 | -170.6 | -140.7 | -81.9 | 0 | 0 | 0 | 114.5 | S2290 L2291 E2349 L2352 G2353 | S2290-F2293 VanDerWaalsContact O-CB 3.32Å; S2290-F2293 WeakPolarHBondContact O-CB 3.41Å; S2290-F2293 PolarHBondContact O-N 3.41Å; L2291-F2293 PolarHBondContact O-N 3.14Å; L2291-F2293 VanDerWaalsContact O-N 3.08Å; F2293-E2349 HydrophobicContact CD1-CB 4.2Å; F2293-E2349 HydrophobicContact CD1-CG 4.29Å; F2293-E2349 WeakPolarHBondContact CD1-OE2 3.27Å; F2293-E2349 HydrophobicContact CD2-CB 4.01Å; F2293-E2349 WeakPolarHBondContact CD2-O 3.35Å; F2293-E2349 HydrophobicContact CE1-CB 4.13Å; F2293-E2349 HydrophobicContact CE1-CG 4.01Å; F2293-E2349 WeakPolarHBondContact CE1-OE1 3.36Å; F2293-E2349 WeakPolarHBondContact CE1-OE2 3.36Å; F2293-E2349 HydrophobicContact CE2-CB 3.96Å; F2293-E2349 WeakPolarHBondContact CE2-O 3.37Å; F2293-E2349 HydrophobicContact CG-CB 4.06Å; F2293-E2349 WeakPolarHBondContact CG-OE2 3.46Å; F2293-E2349 HydrophobicContact CZ-CB 3.93Å; F2293-E2349 HydrophobicContact CZ-CG 4.13Å; F2293-L2352 HydrophobicContact CE1-CD2 3.9Å; F2293-L2352 VanDerWaalsContact CE2-C 3.42Å; F2293-L2352 HydrophobicContact CE2-CB 3.37Å; F2293-L2352 HydrophobicContact CE2-CD2 3.43Å; F2293-L2352 VanDerWaalsContact CE2-CD2 3.43Å; F2293-L2352 HydrophobicContact CE2-CG 3.88Å; F2293-L2352 HydrophobicContact CZ-CB 3.42Å; F2293-L2352 VanDerWaalsContact CZ-CB 3.42Å; F2293-L2352 HydrophobicContact CZ-CD1 3.99Å; F2293-L2352 HydrophobicContact CZ-CD2 3.07Å; F2293-L2352 HydrophobicContact CZ-CG 3.58Å; F2293-G2353 VanDerWaalsContact CE2-N 3.26Å |
| 2294 | F | 40 | Very low | 40.3 | Very low | 128 Ų | 128 | 67.4 Ų | 67.4 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -84.3 | -12.6 | -179 | -105.8 | -88 | 0 | 0 | 0 | 114.4 | S2290 R2296 | S2290-F2294 PolarHBondContact O-N 3.39Å; F2294-R2296 VanDerWaalsContact C-N 3.33Å; F2294-R2296 PolarHBondContact O-N 2.94Å |
| 2295 | V | 38.6 | Very low | 40.4 | Very low | 45 Ų | 45 | 67.1 Ų | 67.1 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -79.8 | 87.2 | 171 | -169.6 | 0 | 0 | 0 | 0 | 108.3 | V2297 V2302 | V2295-V2297 PolarHBondContact O-N 3.25Å; V2295-V2297 VanDerWaalsContact O-N 3.11Å; V2295-V2302 HydrophobicContact CB-CG1 4.45Å; V2295-V2302 HydrophobicContact CG1-CB 4.46Å; V2295-V2302 HydrophobicContact CG1-CG1 3.56Å; V2295-V2302 HydrophobicContact CG1-CG2 4.16Å |
| 2296 | R | 36.4 | Very low | 40.4 | Very low | 151 Ų | 151 | 66.2 Ų | 66.2 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | trans | -53.3 | 117.6 | 169.1 | -122.7 | -178.3 | -177.4 | -179.4 | -1.7 | 108.3 | L2027 F2294 D2298 | L2027-R2296 PolarHBondContact O-NH2 3.11Å; F2294-R2296 VanDerWaalsContact C-N 3.33Å; F2294-R2296 PolarHBondContact O-N 2.94Å; R2296-D2298 VanDerWaalsContact C-N 3.26Å; R2296-D2298 PolarHBondContact O-N 3.36Å | ||
| 2297 | V | 37.7 | Very low | 40.6 | Very low | 86 Ų | 86 | 67 Ų | 67 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | trans | -76.7 | 78.4 | -178.4 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | V2295 Q2303 | V2295-V2297 PolarHBondContact O-N 3.25Å; V2295-V2297 VanDerWaalsContact O-N 3.11Å; V2297-Q2303 HydrophobicContact CG1-CG 4.47Å | ||
| 2298 | D | 33.5 | Very low | 40.5 | Very low | 133 Ų | 133 | 68.8 Ų | 68.8 | 71% | 0.711 | 38% | 0.375 | S | S | * | . | trans | -125.1 | 51.8 | 164 | -70.5 | -37.4 | 0 | 0 | 0 | 108.7 | R2296 | R2296-D2298 VanDerWaalsContact C-N 3.26Å; R2296-D2298 PolarHBondContact O-N 3.36Å | ||
| 2299 | D | 35.6 | Very low | 40.7 | Very low | 125 Ų | 125 | 69 Ų | 69 | 67% | 0.668 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -175.8 | 142.2 | 152.9 | -101.1 | -30.7 | 0 | 0 | 0 | 112.8 | D2301 V2302 | D2299-D2301 PolarHBondContact O-N 3.02Å; D2299-V2302 PolarHBondContact O-N 2.92Å |
| 2300 | V | 37.7 | Very low | 41 | Very low | 104 Ų | 104 | 67.9 Ų | 67.9 | 63% | 0.63 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.1 | -164.3 | 178.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 2301 | D | 41.7 | Very low | 41.1 | Very low | 80 Ų | 80 | 67.7 Ų | 67.7 | 43% | 0.428 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -17.2 | -174.4 | -68.1 | -48.4 | 0 | 0 | 0 | 115 | R2255 D2299 Q2303 | R2255-D2301 IonicContact CZ-OD2 2.67Å; R2255-D2301 IonicContact NE-OD2 2.66Å; R2255-D2301 IonicContact NH2-OD1 3.29Å; R2255-D2301 PolarHBondContact NH2-OD1 3.03Å; R2255-D2301 IonicContact NH2-OD2 3.4Å; R2255-D2301 PolarHBondContact NH2-OD2 3.08Å; D2299-D2301 PolarHBondContact O-N 3.02Å; D2301-Q2303 VanDerWaalsContact C-N 3.35Å |
| 2302 | V | 41.1 | Very low | 41.3 | Very low | 47 Ų | 47 | 69.2 Ų | 69.2 | 29% | 0.285 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -78.7 | -21.8 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | V2295 D2299 I2304 C2305 A2306 | V2295-V2302 HydrophobicContact CB-CG1 4.45Å; V2295-V2302 HydrophobicContact CG1-CB 4.46Å; V2295-V2302 HydrophobicContact CG1-CG1 3.56Å; V2295-V2302 HydrophobicContact CG1-CG2 4.16Å; D2299-V2302 PolarHBondContact O-N 2.92Å; V2302-I2304 VanDerWaalsContact C-N 3.27Å; V2302-I2304 PolarHBondContact O-N 3.08Å; V2302-C2305 PolarHBondContact O-N 3.15Å; V2302-C2305 VanDerWaalsContact O-N 3.09Å; V2302-A2306 PolarHBondContact O-N 3.24Å; V2302-A2306 VanDerWaalsContact O-N 3.13Å |
| 2303 | Q | 41.9 | Very low | 41.5 | Very low | 58 Ų | 58 | 69.4 Ų | 69.4 | 27% | 0.271 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -33.7 | 176.8 | -68.5 | 179.7 | -15.5 | 0 | 0 | 112.1 | V2297 D2301 C2305 C2307 L2360 | V2297-Q2303 HydrophobicContact CG1-CG 4.47Å; D2301-Q2303 VanDerWaalsContact C-N 3.35Å; Q2303-C2305 VanDerWaalsContact C-N 3.33Å; Q2303-C2305 PolarHBondContact O-N 3.33Å; Q2303-C2307 WeakPolarHBondContact O-CB 3.47Å; Q2303-C2307 PolarHBondContact O-N 3.28Å; Q2303-C2307 PolarHBondContact O-SG 2.76Å; Q2303-L2360 HydrophobicContact CB-CD2 4.31Å; Q2303-L2360 HydrophobicContact CG-CD2 3.93Å |
| 2304 | I | 44.2 | Very low | 42 | Very low | 117 Ų | 117 | 69.9 Ų | 69.9 | 60% | 0.6 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.4 | -33.9 | 176.3 | -61 | 174.2 | 0 | 0 | 0 | 111.1 | V2302 A2308 | V2302-I2304 VanDerWaalsContact C-N 3.27Å; V2302-I2304 PolarHBondContact O-N 3.08Å; I2304-A2308 WeakPolarHBondContact O-CB 3.45Å; I2304-A2308 PolarHBondContact O-N 3.38Å |
| 2305 | C | 44.6 | Very low | 41.9 | Very low | 24 Ų | 24 | 72.1 Ų | 72.1 | 16% | 0.162 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -77 | -40.9 | -177.6 | -68.4 | 0 | 0 | 0 | 0 | 113.3 | F2258 V2302 Q2303 C2307 A2308 L2309 | F2258-C2305 HydrophobicContact CD1-CB 4.07Å; F2258-C2305 VanDerWaalsContact CD1-SG 3.53Å; F2258-C2305 WeakPolarHBondContact CD2-SG 3.38Å; F2258-C2305 HydrophobicContact CE1-CB 3.35Å; F2258-C2305 WeakPolarHBondContact CE1-SG 3.1Å; F2258-C2305 HydrophobicContact CE2-CB 3.93Å; F2258-C2305 WeakPolarHBondContact CE2-SG 3.39Å; F2258-C2305 VanDerWaalsContact CG-SG 3.59Å; F2258-C2305 HydrophobicContact CZ-CB 3.28Å; F2258-C2305 WeakPolarHBondContact CZ-SG 3.33Å; V2302-C2305 PolarHBondContact O-N 3.15Å; V2302-C2305 VanDerWaalsContact O-N 3.09Å; Q2303-C2305 VanDerWaalsContact C-N 3.33Å; Q2303-C2305 PolarHBondContact O-N 3.33Å; C2305-C2307 VanDerWaalsContact C-N 3.32Å; C2305-A2308 PolarHBondContact O-N 2.93Å; C2305-L2309 PolarHBondContact O-N 3.36Å; C2305-L2309 VanDerWaalsContact O-N 3.07Å |
| 2306 | A | 43.9 | Very low | 42.2 | Very low | 22 Ų | 22 | 73.9 Ų | 73.9 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L2292 V2302 G2310 | L2292-A2306 HydrophobicContact CD2-CB 4.18Å; V2302-A2306 PolarHBondContact O-N 3.24Å; V2302-A2306 VanDerWaalsContact O-N 3.13Å; A2306-G2310 WeakPolarHBondContact O-CA 3.45Å; A2306-G2310 PolarHBondContact O-N 3.44Å |
| 2307 | C | 44.8 | Very low | 42.4 | Very low | 39 Ų | 39 | 69.2 Ų | 69.2 | 26% | 0.264 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 174.2 | -72.4 | 0 | 0 | 0 | 0 | 113.3 | Q2303 C2305 S2311 C2363 | Q2303-C2307 WeakPolarHBondContact O-CB 3.47Å; Q2303-C2307 PolarHBondContact O-N 3.28Å; Q2303-C2307 PolarHBondContact O-SG 2.76Å; C2305-C2307 VanDerWaalsContact C-N 3.32Å; C2307-S2311 WeakPolarHBondContact O-CA 3.3Å; C2307-S2311 WeakPolarHBondContact O-CB 3.12Å; C2307-S2311 PolarHBondContact O-N 3.46Å; C2307-S2311 PolarHBondContact O-OG 2.99Å; C2307-C2363 PolarHBondContact SG-SG 3.47Å |
| 2308 | A | 43.2 | Very low | 42.3 | Very low | 45 Ų | 45 | 69 Ų | 69 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72.7 | -44.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I2304 C2305 S2311 L2312 | I2304-A2308 WeakPolarHBondContact O-CB 3.45Å; I2304-A2308 PolarHBondContact O-N 3.38Å; C2305-A2308 PolarHBondContact O-N 2.93Å; A2308-S2311 PolarHBondContact O-OG 2.91Å; A2308-S2311 VanDerWaalsContact O-OG 3.11Å; A2308-L2312 VanDerWaalsContact O-CB 3.27Å; A2308-L2312 WeakPolarHBondContact O-CB 3.3Å; A2308-L2312 WeakPolarHBondContact O-CD1 3.39Å; A2308-L2312 WeakPolarHBondContact O-CG 3.25Å; A2308-L2312 PolarHBondContact O-N 3.35Å |
| 2309 | L | 46.2 | Very low | 42.6 | Very low | 44 Ų | 44 | 70.4 Ų | 70.4 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -72.3 | -40.3 | 175.3 | -88.7 | 157.7 | 0 | 0 | 0 | 112.3 | F2258 V2265 C2305 L2312 L2313 | F2258-L2309 HydrophobicContact CE1-CD1 4.45Å; V2265-L2309 HydrophobicContact CG1-CD2 4.25Å; C2305-L2309 PolarHBondContact O-N 3.36Å; C2305-L2309 VanDerWaalsContact O-N 3.07Å; L2309-L2312 PolarHBondContact O-N 2.87Å; L2309-L2313 WeakPolarHBondContact O-CB 3.35Å; L2309-L2313 WeakPolarHBondContact O-CG 3.46Å; L2309-L2313 PolarHBondContact O-N 3.05Å |
| 2310 | G | 48.1 | Very low | 42.3 | Very low | 12 Ų | 12 | 68.5 Ų | 68.5 | 12% | 0.124 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A2306 V2314 | A2306-G2310 WeakPolarHBondContact O-CA 3.45Å; A2306-G2310 PolarHBondContact O-N 3.44Å; G2310-V2314 WeakPolarHBondContact O-CB 3.26Å; G2310-V2314 VanDerWaalsContact O-CG2 3.24Å; G2310-V2314 WeakPolarHBondContact O-CG2 3.41Å; G2310-V2314 PolarHBondContact O-N 3.29Å |
| 2311 | S | 42.9 | Very low | 42 | Very low | 25 Ų | 25 | 71 Ų | 71 | 18% | 0.175 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.6 | -30.3 | 174.5 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | C2307 A2308 R2315 Y2367 | C2307-S2311 WeakPolarHBondContact O-CA 3.3Å; C2307-S2311 WeakPolarHBondContact O-CB 3.12Å; C2307-S2311 PolarHBondContact O-N 3.46Å; C2307-S2311 PolarHBondContact O-OG 2.99Å; A2308-S2311 PolarHBondContact O-OG 2.91Å; A2308-S2311 VanDerWaalsContact O-OG 3.11Å; S2311-R2315 WeakPolarHBondContact O-CA 3.37Å; S2311-R2315 WeakPolarHBondContact O-CB 3.42Å; S2311-R2315 VanDerWaalsContact O-CG 3.28Å; S2311-R2315 WeakPolarHBondContact O-CG 3.35Å; S2311-R2315 PolarHBondContact O-N 3.01Å; S2311-Y2367 VanDerWaalsContact CB-OH 3.23Å; S2311-Y2367 WeakPolarHBondContact CB-OH 3.26Å |
| 2312 | L | 44.4 | Very low | 41.7 | Very low | 57 Ų | 57 | 75 Ų | 75 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73.3 | -44.4 | 174.6 | -90.7 | 160.5 | 0 | 0 | 0 | 112.7 | L2266 A2308 L2309 V2314 R2315 V2316 | L2266-L2312 HydrophobicContact CD1-CD1 4.05Å; L2266-L2312 HydrophobicContact CD1-CD2 3.84Å; L2266-L2312 HydrophobicContact CD2-CD2 4.24Å; L2266-L2312 HydrophobicContact CG-CD2 4.37Å; A2308-L2312 VanDerWaalsContact O-CB 3.27Å; A2308-L2312 WeakPolarHBondContact O-CB 3.3Å; A2308-L2312 WeakPolarHBondContact O-CD1 3.39Å; A2308-L2312 WeakPolarHBondContact O-CG 3.25Å; A2308-L2312 PolarHBondContact O-N 3.35Å; L2309-L2312 PolarHBondContact O-N 2.87Å; L2312-V2314 PolarHBondContact O-N 3.29Å; L2312-R2315 PolarHBondContact O-N 3.4Å; L2312-V2316 HydrophobicContact CD2-CG2 4.33Å; L2312-V2316 WeakPolarHBondContact O-CB 3.44Å; L2312-V2316 WeakPolarHBondContact O-CG2 3.08Å; L2312-V2316 PolarHBondContact O-N 3.18Å; L2312-V2316 VanDerWaalsContact O-N 3.12Å |
| 2313 | L | 47.5 | Very low | 41.5 | Very low | 73 Ų | 73 | 79.1 Ų | 79.1 | 38% | 0.382 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.3 | -26.5 | 175.2 | -75.6 | 168.7 | 0 | 0 | 0 | 112.5 | L2309 | L2309-L2313 WeakPolarHBondContact O-CB 3.35Å; L2309-L2313 WeakPolarHBondContact O-CG 3.46Å; L2309-L2313 PolarHBondContact O-N 3.05Å |
| 2314 | V | 47.4 | Very low | 41.4 | Very low | 53 Ų | 53 | 81 Ų | 81 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -99.8 | -23 | 178.5 | -177 | 0 | 0 | 0 | 0 | 113.7 | G2310 L2312 P2317 V2318 Y2367 | G2310-V2314 WeakPolarHBondContact O-CB 3.26Å; G2310-V2314 VanDerWaalsContact O-CG2 3.24Å; G2310-V2314 WeakPolarHBondContact O-CG2 3.41Å; G2310-V2314 PolarHBondContact O-N 3.29Å; L2312-V2314 PolarHBondContact O-N 3.29Å; V2314-P2317 VanDerWaalsContact O-CD 3.26Å; V2314-P2317 WeakPolarHBondContact O-CD 3.29Å; V2314-V2318 WeakPolarHBondContact O-CG2 3.23Å; V2314-Y2367 HydrophobicContact CB-CD1 4.15Å; V2314-Y2367 HydrophobicContact CB-CE1 3.85Å; V2314-Y2367 HydrophobicContact CG1-CD1 3.69Å; V2314-Y2367 HydrophobicContact CG1-CE1 3.65Å |
| 2315 | R | 38.6 | Very low | 41.2 | Very low | 174 Ų | 174 | 80.8 Ų | 80.8 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -82.8 | -36.5 | 176.1 | -90.8 | 178.9 | 135.4 | 135.7 | -2.9 | 114.1 | S2311 L2312 P2317 V2318 | S2311-R2315 WeakPolarHBondContact O-CA 3.37Å; S2311-R2315 WeakPolarHBondContact O-CB 3.42Å; S2311-R2315 VanDerWaalsContact O-CG 3.28Å; S2311-R2315 WeakPolarHBondContact O-CG 3.35Å; S2311-R2315 PolarHBondContact O-N 3.01Å; L2312-R2315 PolarHBondContact O-N 3.4Å; R2315-P2317 WeakPolarHBondContact O-CD 3.43Å; R2315-P2317 VanDerWaalsContact O-N 3.1Å; R2315-V2318 PolarHBondContact O-N 3.21Å; R2315-V2318 VanDerWaalsContact O-N 3.15Å |
| 2316 | V | 43.7 | Very low | 40.9 | Very low | 82 Ų | 82 | 84.8 Ų | 84.8 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -27.6 | -176.3 | 171.8 | 0 | 0 | 0 | 0 | 114.7 | L2266 L2312 | L2266-V2316 HydrophobicContact CD2-CG2 4.18Å; L2312-V2316 HydrophobicContact CD2-CG2 4.33Å; L2312-V2316 WeakPolarHBondContact O-CB 3.44Å; L2312-V2316 WeakPolarHBondContact O-CG2 3.08Å; L2312-V2316 PolarHBondContact O-N 3.18Å; L2312-V2316 VanDerWaalsContact O-N 3.12Å |
| 2317 | P | 41 | Very low | 40.8 | Very low | 53 Ų | 53 | 86.3 Ų | 86.3 | 34% | 0.344 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -5.1 | 179.3 | 32.2 | -24 | 0 | 0 | 0 | 115.6 | V2314 R2315 D2319 F2326 | V2314-P2317 VanDerWaalsContact O-CD 3.26Å; V2314-P2317 WeakPolarHBondContact O-CD 3.29Å; R2315-P2317 WeakPolarHBondContact O-CD 3.43Å; R2315-P2317 VanDerWaalsContact O-N 3.1Å; P2317-D2319 PolarHBondContact O-N 3.25Å; P2317-F2326 HydrophobicContact CB-CD1 4.4Å; P2317-F2326 HydrophobicContact CB-CE1 4.47Å |
| 2318 | V | 36.5 | Very low | 40.8 | Very low | 83 Ų | 83 | 88.3 Ų | 88.3 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -20.3 | -169.8 | -179.7 | 0 | 0 | 0 | 0 | 113.3 | V2314 R2315 | V2314-V2318 WeakPolarHBondContact O-CG2 3.23Å; R2315-V2318 PolarHBondContact O-N 3.21Å; R2315-V2318 VanDerWaalsContact O-N 3.15Å |
| 2319 | D | 38.5 | Very low | 40.8 | Very low | 162 Ų | 162 | 87.1 Ų | 87.1 | 87% | 0.866 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.7 | -176.5 | -72.1 | -21.2 | 0 | 0 | 0 | 115.1 | P2317 | P2317-D2319 PolarHBondContact O-N 3.25Š|
| 2320 | S | 31.2 | Very low | 40.7 | Very low | 84 Ų | 84 | 89.6 Ų | 89.6 | 59% | 0.587 | 47% | 0.473 | S | S | * | . | trans | -133.6 | 102.9 | 176.3 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | H2322 | S2320-H2322 PolarHBondContact O-N 3.04Š| ||
| 2321 | I | 30.9 | Very low | 40.5 | Very low | 157 Ų | 157 | 90.8 Ų | 90.8 | 81% | 0.805 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 11.3 | -167 | -70.5 | 164.9 | 0 | 0 | 0 | 115.9 | ||
| 2322 | H | 34.1 | Very low | 40.6 | Very low | 164 Ų | 164 | 93.3 Ų | 93.3 | 76% | 0.759 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | 9.5 | -165.4 | -79.5 | -49.2 | 0 | 0 | 0 | 121.3 | S2320 | S2320-H2322 PolarHBondContact O-N 3.04Š|
| 2323 | H | 37.4 | Very low | 40.5 | Very low | 133 Ų | 133 | 92.2 Ų | 92.2 | 62% | 0.616 | 48% | 0.48 | S | S | * | . | trans | -124.1 | 86.4 | 178.8 | -83 | -70.3 | 0 | 0 | 0 | 116.3 | N2325 F2326 | H2323-N2325 PolarHBondContact O-N 2.83Å; H2323-N2325 VanDerWaalsContact O-N 3.11Å; H2323-F2326 HydrophobicContact CB-CB 4.45Å; H2323-F2326 PolarHBondContact O-N 2.76Å; H2323-F2326 VanDerWaalsContact O-N 3.07Å | ||
| 2324 | V | 39.9 | Very low | 40.4 | Very low | 99 Ų | 99 | 90.8 Ų | 90.8 | 60% | 0.6 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -51.2 | -25.9 | 159.9 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | F2326 Q2328 | V2324-F2326 VanDerWaalsContact C-N 3.34Å; V2324-F2326 PolarHBondContact O-N 3.42Å; V2324-Q2328 WeakPolarHBondContact O-CB 3.48Å; V2324-Q2328 PolarHBondContact O-N 3.42Å |
| 2325 | N | 40.2 | Very low | 40.1 | Very low | 111 Ų | 111 | 88.6 Ų | 88.6 | 59% | 0.594 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -71.6 | -21.3 | 178.7 | -63.7 | -13 | 0 | 0 | 0 | 114 | H2323 G2329 | H2323-N2325 PolarHBondContact O-N 2.83Å; H2323-N2325 VanDerWaalsContact O-N 3.11Å; N2325-G2329 WeakPolarHBondContact O-CA 3.24Å; N2325-G2329 PolarHBondContact O-N 3.29Å |
| 2326 | F | 39.2 | Very low | 40.2 | Very low | 108 Ų | 108 | 84.8 Ų | 84.8 | 47% | 0.474 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -88 | -39.6 | -178.4 | -172.8 | -94.8 | 0 | 0 | 0 | 112.5 | P2317 H2323 V2324 Q2328 G2329 F2330 | P2317-F2326 HydrophobicContact CB-CD1 4.4Å; P2317-F2326 HydrophobicContact CB-CE1 4.47Å; H2323-F2326 HydrophobicContact CB-CB 4.45Å; H2323-F2326 PolarHBondContact O-N 2.76Å; H2323-F2326 VanDerWaalsContact O-N 3.07Å; V2324-F2326 VanDerWaalsContact C-N 3.34Å; V2324-F2326 PolarHBondContact O-N 3.42Å; F2326-Q2328 VanDerWaalsContact C-N 3.3Å; F2326-G2329 CarbonylContact O-C 3.08Å; F2326-G2329 WeakPolarHBondContact O-CA 3.46Å; F2326-G2329 PolarHBondContact O-N 2.74Å; F2326-G2329 VanDerWaalsContact O-N 3.08Å; F2326-F2330 VanDerWaalsContact O-CB 3.29Å; F2326-F2330 WeakPolarHBondContact O-CB 3.47Å; F2326-F2330 PolarHBondContact O-N 3.03Å |
| 2327 | V | 41 | Very low | 40 | Very low | 54 Ų | 54 | 81.2 Ų | 81.2 | 33% | 0.327 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 169.5 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | G2329 L2331 | V2327-G2329 VanDerWaalsContact C-N 3.27Å; V2327-G2329 PolarHBondContact O-N 2.81Å; V2327-L2331 HydrophobicContact CG1-CD1 3.61Å; V2327-L2331 VanDerWaalsContact O-CB 3.24Å; V2327-L2331 WeakPolarHBondContact O-CB 3.4Å; V2327-L2331 WeakPolarHBondContact O-CD1 3.33Å; V2327-L2331 PolarHBondContact O-N 3.42Å |
| 2328 | Q | 44 | Very low | 39.9 | Very low | 82 Ų | 82 | 80.2 Ų | 80.2 | 38% | 0.383 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -31.5 | 170.4 | -168.1 | 174.2 | 1.5 | 0 | 0 | 112.3 | V2324 F2326 Q2332 | V2324-Q2328 WeakPolarHBondContact O-CB 3.48Å; V2324-Q2328 PolarHBondContact O-N 3.42Å; F2326-Q2328 VanDerWaalsContact C-N 3.3Å; Q2328-Q2332 WeakPolarHBondContact O-CA 3.45Å; Q2328-Q2332 WeakPolarHBondContact O-CB 3.48Å; Q2328-Q2332 WeakPolarHBondContact O-CG 3.43Å; Q2328-Q2332 PolarHBondContact O-N 3.02Å |
| 2329 | G | 43.3 | Very low | 39.9 | Very low | 20 Ų | 20 | 80.9 Ų | 80.9 | 21% | 0.206 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -77.3 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | N2325 F2326 V2327 Q2332 L2333 | N2325-G2329 WeakPolarHBondContact O-CA 3.24Å; N2325-G2329 PolarHBondContact O-N 3.29Å; F2326-G2329 CarbonylContact O-C 3.08Å; F2326-G2329 WeakPolarHBondContact O-CA 3.46Å; F2326-G2329 PolarHBondContact O-N 2.74Å; F2326-G2329 VanDerWaalsContact O-N 3.08Å; V2327-G2329 VanDerWaalsContact C-N 3.27Å; V2327-G2329 PolarHBondContact O-N 2.81Å; G2329-Q2332 CarbonylContact O-C 3.59Å; G2329-L2333 WeakPolarHBondContact O-CB 3.44Å; G2329-L2333 PolarHBondContact O-N 3.42Å |
| 2330 | F | 44.5 | Very low | 39.8 | Very low | 95 Ų | 95 | 75 Ų | 75 | 42% | 0.417 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.3 | -45.3 | 175.8 | -179.4 | -98.1 | 0 | 0 | 0 | 110.4 | F2326 L2333 L2334 | F2326-F2330 VanDerWaalsContact O-CB 3.29Å; F2326-F2330 WeakPolarHBondContact O-CB 3.47Å; F2326-F2330 PolarHBondContact O-N 3.03Å; F2330-L2333 WeakPolarHBondContact O-CB 3.13Å; F2330-L2333 PolarHBondContact O-N 3.28Å; F2330-L2334 HydrophobicContact CD1-CD1 4.15Å; F2330-L2334 HydrophobicContact CE1-CD1 3.54Å; F2330-L2334 HydrophobicContact CZ-CD1 3.86Å; F2330-L2334 WeakPolarHBondContact O-CB 3.4Å; F2330-L2334 PolarHBondContact O-N 3.03Å |
| 2331 | L | 44.7 | Very low | 40.1 | Very low | 38 Ų | 38 | 75 Ų | 75 | 20% | 0.199 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.4 | -54.7 | 165.8 | -83.5 | 135.5 | 0 | 0 | 0 | 109.3 | V2327 L2333 L2334 L2335 C2378 | V2327-L2331 HydrophobicContact CG1-CD1 3.61Å; V2327-L2331 VanDerWaalsContact O-CB 3.24Å; V2327-L2331 WeakPolarHBondContact O-CB 3.4Å; V2327-L2331 WeakPolarHBondContact O-CD1 3.33Å; V2327-L2331 PolarHBondContact O-N 3.42Å; L2331-L2333 PolarHBondContact O-N 3.44Å; L2331-L2334 PolarHBondContact O-N 2.93Å; L2331-L2335 WeakPolarHBondContact O-CA 3.34Å; L2331-L2335 WeakPolarHBondContact O-CB 3.5Å; L2331-L2335 PolarHBondContact O-N 2.95Å; L2331-C2378 WeakPolarHBondContact CD1-SG 3.5Å; L2331-C2378 VanDerWaalsContact CD2-SG 3.59Å |
| 2332 | Q | 43.7 | Very low | 40.4 | Very low | 78 Ų | 78 | 69.3 Ų | 69.3 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.1 | -22.5 | 174.6 | -85.9 | 179.7 | -13.4 | 0 | 0 | 114.3 | Q2328 G2329 K2336 | Q2328-Q2332 WeakPolarHBondContact O-CA 3.45Å; Q2328-Q2332 WeakPolarHBondContact O-CB 3.48Å; Q2328-Q2332 WeakPolarHBondContact O-CG 3.43Å; Q2328-Q2332 PolarHBondContact O-N 3.02Å; G2329-Q2332 CarbonylContact O-C 3.59Å; Q2332-K2336 WeakPolarHBondContact O-CA 3.46Å; Q2332-K2336 WeakPolarHBondContact O-CB 3.39Å; Q2332-K2336 VanDerWaalsContact O-CG 3.22Å; Q2332-K2336 WeakPolarHBondContact O-CG 3.47Å; Q2332-K2336 PolarHBondContact O-N 2.74Å |
| 2333 | L | 42.5 | Very low | 40.5 | Very low | 33 Ų | 33 | 62.1 Ų | 62.1 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -80.7 | -52.3 | 175.4 | -115.8 | 147 | 0 | 0 | 0 | 112.5 | R2281 V2282 G2329 F2330 L2331 L2335 K2336 A2337 | R2281-L2333 HydrophobicContact CB-CD1 4.07Å; R2281-L2333 HydrophobicContact CB-CD2 3.5Å; R2281-L2333 VanDerWaalsContact CB-CD2 3.5Å; R2281-L2333 HydrophobicContact CB-CG 4.21Å; R2281-L2333 WeakPolarHBondContact O-CD2 3.44Å; V2282-L2333 HydrophobicContact CG2-CD2 4.19Å; G2329-L2333 WeakPolarHBondContact O-CB 3.44Å; G2329-L2333 PolarHBondContact O-N 3.42Å; F2330-L2333 WeakPolarHBondContact O-CB 3.13Å; F2330-L2333 PolarHBondContact O-N 3.28Å; L2331-L2333 PolarHBondContact O-N 3.44Å; L2333-L2335 PolarHBondContact O-N 3.37Å; L2333-K2336 PolarHBondContact O-N 3.01Å; L2333-A2337 WeakPolarHBondContact O-CB 3.27Å; L2333-A2337 PolarHBondContact O-N 2.92Å |
| 2334 | L | 45.6 | Very low | 40.6 | Very low | 43 Ų | 43 | 60.4 Ų | 60.4 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.3 | -38.3 | 169.3 | -116.4 | 147.2 | 0 | 0 | 0 | 110.1 | F2330 L2331 A2337 L2338 V2350 | F2330-L2334 HydrophobicContact CD1-CD1 4.15Å; F2330-L2334 HydrophobicContact CE1-CD1 3.54Å; F2330-L2334 HydrophobicContact CZ-CD1 3.86Å; F2330-L2334 WeakPolarHBondContact O-CB 3.4Å; F2330-L2334 PolarHBondContact O-N 3.03Å; L2331-L2334 PolarHBondContact O-N 2.93Å; L2334-A2337 WeakPolarHBondContact O-CB 3.5Å; L2334-L2338 HydrophobicContact CD2-CD1 4.49Å; L2334-L2338 WeakPolarHBondContact O-CB 3.45Å; L2334-L2338 WeakPolarHBondContact O-CD1 3.37Å; L2334-L2338 WeakPolarHBondContact O-CG 3.34Å; L2334-L2338 PolarHBondContact O-N 3.45Å; L2334-V2350 HydrophobicContact CD2-CG1 3.5Å; L2334-V2350 VanDerWaalsContact CD2-CG1 3.5Å |
| 2335 | L | 42.4 | Very low | 40.5 | Very low | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -92 | -26.2 | -169.3 | -151.3 | 89.7 | 0 | 0 | 0 | 112.5 | L2331 L2333 L2338 L2339 H2387 | L2331-L2335 WeakPolarHBondContact O-CA 3.34Å; L2331-L2335 WeakPolarHBondContact O-CB 3.5Å; L2331-L2335 PolarHBondContact O-N 2.95Å; L2333-L2335 PolarHBondContact O-N 3.37Å; L2335-L2338 HydrophobicContact CB-CD1 4.31Å; L2335-L2338 HydrophobicContact CD1-CD1 4.01Å; L2335-L2338 CarbonylContact O-C 3.58Å; L2335-L2338 WeakPolarHBondContact O-CB 3.22Å; L2335-L2339 VanDerWaalsContact O-CB 3.29Å; L2335-L2339 WeakPolarHBondContact O-CB 3.48Å; L2335-L2339 WeakPolarHBondContact O-CD1 3.35Å; L2335-L2339 WeakPolarHBondContact O-CG 3.42Å; L2335-L2339 PolarHBondContact O-N 3.24Å; L2335-H2387 HydrophobicContact CD1-CB 3.98Å; L2335-H2387 HydrophobicContact CD2-CB 3.62Å; L2335-H2387 WeakPolarHBondContact CD2-CD2 3.41Å; L2335-H2387 WeakPolarHBondContact CD2-ND1 3.26Å; L2335-H2387 VanDerWaalsContact CD2-NE2 3.33Å; L2335-H2387 WeakPolarHBondContact CD2-NE2 3.48Å; L2335-H2387 HydrophobicContact CG-CB 4.12Å; L2335-H2387 WeakPolarHBondContact CG-CD2 3.29Å |
| 2336 | K | 40.2 | Very low | 40.3 | Very low | 93 Ų | 93 | 55.5 Ų | 55.5 | 40% | 0.404 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -79 | -30.8 | 163.5 | -85.7 | -177.3 | 172.7 | 175.9 | 0 | 111.8 | V2278 V2282 Q2332 L2333 L2339 A2340 | V2278-K2336 HydrophobicContact CG1-CD 3.48Å; V2278-K2336 VanDerWaalsContact CG1-CD 3.48Å; V2282-K2336 HydrophobicContact CG2-CB 4.29Å; Q2332-K2336 WeakPolarHBondContact O-CA 3.46Å; Q2332-K2336 WeakPolarHBondContact O-CB 3.39Å; Q2332-K2336 VanDerWaalsContact O-CG 3.22Å; Q2332-K2336 WeakPolarHBondContact O-CG 3.47Å; Q2332-K2336 PolarHBondContact O-N 2.74Å; L2333-K2336 PolarHBondContact O-N 3.01Å; K2336-L2339 CarbonylContact O-C 3.33Å; K2336-L2339 PolarHBondContact O-N 3.45Å; K2336-A2340 PolarHBondContact O-N 3.16Å |
| 2337 | A | 40.1 | Very low | 40.5 | Very low | 8 Ų | 8 | 52.7 Ų | 52.7 | 7% | 0.066 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -51 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V2282 L2286 L2333 L2334 L2339 A2340 L2342 | V2282-A2337 HydrophobicContact CG1-CB 3.92Å; L2286-A2337 HydrophobicContact CD1-CB 4.13Å; L2286-A2337 HydrophobicContact CD2-CB 4.18Å; L2286-A2337 HydrophobicContact CG-CB 3.98Å; L2333-A2337 WeakPolarHBondContact O-CB 3.27Å; L2333-A2337 PolarHBondContact O-N 2.92Å; L2334-A2337 WeakPolarHBondContact O-CB 3.5Å; A2337-L2339 PolarHBondContact O-N 3.4Å; A2337-L2339 VanDerWaalsContact O-N 3.11Å; A2337-A2340 PolarHBondContact O-N 3.19Å; A2337-L2342 HydrophobicContact CB-CD1 4.36Å; A2337-L2342 WeakPolarHBondContact O-CD1 3.4Å |
| 2338 | L | 38.6 | Very low | 40.6 | Very low | 32 Ų | 32 | 52.8 Ų | 52.8 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23.6 | 171.9 | -69.8 | 151.3 | 0 | 0 | 0 | 114.4 | L2334 L2335 L2347 | L2334-L2338 HydrophobicContact CD2-CD1 4.49Å; L2334-L2338 WeakPolarHBondContact O-CB 3.45Å; L2334-L2338 WeakPolarHBondContact O-CD1 3.37Å; L2334-L2338 WeakPolarHBondContact O-CG 3.34Å; L2334-L2338 PolarHBondContact O-N 3.45Å; L2335-L2338 HydrophobicContact CB-CD1 4.31Å; L2335-L2338 HydrophobicContact CD1-CD1 4.01Å; L2335-L2338 CarbonylContact O-C 3.58Å; L2335-L2338 WeakPolarHBondContact O-CB 3.22Å; L2338-L2347 HydrophobicContact CB-CD1 4.23Å; L2338-L2347 HydrophobicContact CD2-CD1 3.66Å; L2338-L2347 HydrophobicContact CD2-CD2 3.15Å; L2338-L2347 HydrophobicContact CD2-CG 3.18Å; L2338-L2347 HydrophobicContact CG-CD1 4.46Å; L2338-L2347 HydrophobicContact CG-CG 4.25Å |
| 2339 | L | 35.9 | Very low | 40.4 | Very low | 97 Ų | 97 | 51.4 Ų | 51.4 | 51% | 0.508 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -14.3 | -178.5 | -75.5 | 167.9 | 0 | 0 | 0 | 115 | L2335 K2336 A2337 H2387 | L2335-L2339 VanDerWaalsContact O-CB 3.29Å; L2335-L2339 WeakPolarHBondContact O-CB 3.48Å; L2335-L2339 WeakPolarHBondContact O-CD1 3.35Å; L2335-L2339 WeakPolarHBondContact O-CG 3.42Å; L2335-L2339 PolarHBondContact O-N 3.24Å; K2336-L2339 CarbonylContact O-C 3.33Å; K2336-L2339 PolarHBondContact O-N 3.45Å; A2337-L2339 PolarHBondContact O-N 3.4Å; A2337-L2339 VanDerWaalsContact O-N 3.11Å; L2339-H2387 WeakPolarHBondContact CD1-NE2 2.95Å |
| 2340 | A | 37.5 | Very low | 40.4 | Very low | 38 Ų | 38 | 51.3 Ų | 51.3 | 31% | 0.314 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -62.8 | 150 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | K2336 A2337 L2342 | K2336-A2340 PolarHBondContact O-N 3.16Å; A2337-A2340 PolarHBondContact O-N 3.19Å; A2340-L2342 HydrophobicContact CB-CG 4.38Å; A2340-L2342 PolarHBondContact O-N 3.45Å |
| 2341 | P | 37.3 | Very low | 40.6 | Very low | 83 Ų | 83 | 47.9 Ų | 47.9 | 54% | 0.539 | 26% | 0.26 | S | S | . | . | trans | -70.4 | 65.5 | 179.2 | 30.9 | -34.5 | 0 | 0 | 0 | 110 | I635 | I635-P2341 HydrophobicContact CD1-CG 3.89Š| ||
| 2342 | L | 36 | Very low | 40.8 | Very low | 38 Ų | 38 | 48.7 Ų | 48.7 | 20% | 0.199 | 26% | 0.264 | C | S | . | . | trans | -79.2 | 138.9 | 171.9 | -72 | 174.8 | 0 | 0 | 0 | 108.1 | L2286 A2337 A2340 R2344 | L2286-L2342 HydrophobicContact CD1-CD1 3.77Å; L2286-L2342 HydrophobicContact CD1-CD2 3.88Å; L2286-L2342 HydrophobicContact CD1-CG 4.35Å; L2286-L2342 HydrophobicContact CD2-CD1 3.32Å; L2286-L2342 HydrophobicContact CD2-CD2 4.16Å; L2286-L2342 HydrophobicContact CD2-CG 4.4Å; L2286-L2342 HydrophobicContact CG-CD1 4.14Å; A2337-L2342 HydrophobicContact CB-CD1 4.36Å; A2337-L2342 WeakPolarHBondContact O-CD1 3.4Å; A2340-L2342 HydrophobicContact CB-CG 4.38Å; A2340-L2342 PolarHBondContact O-N 3.45Å; L2342-R2344 PolarHBondContact O-N 3.18Å | ||
| 2343 | P | 36.6 | Very low | 41 | Very low | 14 Ų | 14 | 45.4 Ų | 45.4 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | trans | -59.2 | 133.9 | 172.7 | 29 | -36 | 0 | 0 | 0 | 109.8 | Q2067 P2345 L2346 | Q2067-P2343 HydrophobicContact CG-CB 4.04Å; P2343-P2345 HydrophobicContact CB-CG 3.99Å; P2343-P2345 WeakPolarHBondContact O-CD 3.45Å; P2343-L2346 HydrophobicContact CG-CB 4.37Å; P2343-L2346 HydrophobicContact CG-CD1 4.12Å; P2343-L2346 PolarHBondContact O-N 3.34Å | ||
| 2344 | R | 38.7 | Very low | 41.4 | Very low | 97 Ų | 97 | 45.7 Ų | 45.7 | 37% | 0.366 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -36.7 | -39.9 | 174.2 | -91.7 | -175.2 | 159.6 | 156.9 | -1 | 116.4 | E2051 R2064 L2342 L2347 A2348 | E2051-R2344 IonicContact OE1-CZ 2.93Å; E2051-R2344 IonicContact OE1-NH1 3.36Å; E2051-R2344 PolarHBondContact OE1-NH1 3.39Å; E2051-R2344 IonicContact OE1-NH2 3.46Å; E2051-R2344 PolarHBondContact OE1-NH2 3.01Å; R2064-R2344 VanDerWaalsContact NH2-NH1 3.15Å; L2342-R2344 PolarHBondContact O-N 3.18Å; R2344-L2347 WeakPolarHBondContact O-CB 3.24Å; R2344-L2347 PolarHBondContact O-N 3.07Å; R2344-A2348 PolarHBondContact O-N 3.34Å |
| 2345 | P | 38 | Very low | 41.6 | Very low | 55 Ų | 55 | 43.9 Ų | 43.9 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 176.4 | 17.3 | -32.3 | 0 | 0 | 0 | 114 | P2343 L2347 A2348 E2349 | P2343-P2345 HydrophobicContact CB-CG 3.99Å; P2343-P2345 WeakPolarHBondContact O-CD 3.45Å; P2345-L2347 PolarHBondContact O-N 3.35Å; P2345-A2348 CarbonylContact O-C 3.37Å; P2345-A2348 WeakPolarHBondContact O-CB 3.42Å; P2345-A2348 PolarHBondContact O-N 2.92Å; P2345-A2348 VanDerWaalsContact O-N 3.11Å; P2345-E2349 WeakPolarHBondContact O-CG 3.49Å; P2345-E2349 PolarHBondContact O-N 3.02Å |
| 2346 | L | 37.5 | Very low | 42 | Very low | 51 Ų | 51 | 46 Ų | 46 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.3 | -31.3 | -179.6 | -117.2 | 151.4 | 0 | 0 | 0 | 112.6 | L2286 P2343 E2349 V2350 | L2286-L2346 HydrophobicContact CD2-CD2 4.02Å; P2343-L2346 HydrophobicContact CG-CB 4.37Å; P2343-L2346 HydrophobicContact CG-CD1 4.12Å; P2343-L2346 PolarHBondContact O-N 3.34Å; L2346-E2349 PolarHBondContact O-N 3.06Å; L2346-V2350 WeakPolarHBondContact O-CG2 3.36Å; L2346-V2350 PolarHBondContact O-N 2.89Å |
| 2347 | L | 42.5 | Very low | 42.6 | Very low | 49 Ų | 49 | 44.4 Ų | 44.4 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -74 | -38.7 | 178.4 | -157.2 | 149.5 | 0 | 0 | 0 | 111.2 | L2338 R2344 P2345 E2349 F2351 | L2338-L2347 HydrophobicContact CB-CD1 4.23Å; L2338-L2347 HydrophobicContact CD2-CD1 3.66Å; L2338-L2347 HydrophobicContact CD2-CD2 3.15Å; L2338-L2347 HydrophobicContact CD2-CG 3.18Å; L2338-L2347 HydrophobicContact CG-CD1 4.46Å; L2338-L2347 HydrophobicContact CG-CG 4.25Å; R2344-L2347 WeakPolarHBondContact O-CB 3.24Å; R2344-L2347 PolarHBondContact O-N 3.07Å; P2345-L2347 PolarHBondContact O-N 3.35Å; L2347-E2349 VanDerWaalsContact C-N 3.33Å; L2347-F2351 WeakPolarHBondContact O-CB 3.29Å; L2347-F2351 PolarHBondContact O-N 3.46Å |
| 2348 | A | 42.3 | Very low | 43.3 | Very low | 56 Ų | 56 | 44.4 Ų | 44.4 | 46% | 0.463 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R2344 P2345 F2351 L2352 | R2344-A2348 PolarHBondContact O-N 3.34Å; P2345-A2348 CarbonylContact O-C 3.37Å; P2345-A2348 WeakPolarHBondContact O-CB 3.42Å; P2345-A2348 PolarHBondContact O-N 2.92Å; P2345-A2348 VanDerWaalsContact O-N 3.11Å; A2348-F2351 WeakPolarHBondContact O-CB 3.37Å; A2348-F2351 PolarHBondContact O-N 3.44Å; A2348-L2352 WeakPolarHBondContact O-CB 2.93Å; A2348-L2352 PolarHBondContact O-N 3.33Å |
| 2349 | E | 40.2 | Very low | 43.9 | Very low | 54 Ų | 54 | 45.2 Ų | 45.2 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73.7 | -45.3 | 178.9 | -59.7 | -103.6 | 136.4 | 0 | 0 | 111.7 | F2293 P2345 L2346 L2347 F2351 L2352 G2353 | F2293-E2349 HydrophobicContact CD1-CB 4.2Å; F2293-E2349 HydrophobicContact CD1-CG 4.29Å; F2293-E2349 WeakPolarHBondContact CD1-OE2 3.27Å; F2293-E2349 HydrophobicContact CD2-CB 4.01Å; F2293-E2349 WeakPolarHBondContact CD2-O 3.35Å; F2293-E2349 HydrophobicContact CE1-CB 4.13Å; F2293-E2349 HydrophobicContact CE1-CG 4.01Å; F2293-E2349 WeakPolarHBondContact CE1-OE1 3.36Å; F2293-E2349 WeakPolarHBondContact CE1-OE2 3.36Å; F2293-E2349 HydrophobicContact CE2-CB 3.96Å; F2293-E2349 WeakPolarHBondContact CE2-O 3.37Å; F2293-E2349 HydrophobicContact CG-CB 4.06Å; F2293-E2349 WeakPolarHBondContact CG-OE2 3.46Å; F2293-E2349 HydrophobicContact CZ-CB 3.93Å; F2293-E2349 HydrophobicContact CZ-CG 4.13Å; P2345-E2349 WeakPolarHBondContact O-CG 3.49Å; P2345-E2349 PolarHBondContact O-N 3.02Å; L2346-E2349 PolarHBondContact O-N 3.06Å; L2347-E2349 VanDerWaalsContact C-N 3.33Å; E2349-F2351 PolarHBondContact O-N 3.24Å; E2349-L2352 PolarHBondContact O-N 2.93Å; E2349-G2353 PolarHBondContact O-N 3.44Å |
| 2350 | V | 44.7 | Very low | 44.8 | Very low | 18 Ų | 18 | 42.3 Ų | 42.3 | 11% | 0.109 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -38.4 | 171.6 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | L2286 L2334 L2346 V2354 | L2286-V2350 HydrophobicContact CD2-CG2 4.43Å; L2334-V2350 HydrophobicContact CD2-CG1 3.5Å; L2334-V2350 VanDerWaalsContact CD2-CG1 3.5Å; L2346-V2350 WeakPolarHBondContact O-CG2 3.36Å; L2346-V2350 PolarHBondContact O-N 2.89Å; V2350-V2354 WeakPolarHBondContact O-CG2 3.25Å; V2350-V2354 PolarHBondContact O-N 2.84Å |
| 2351 | F | 48.7 | Very low | 45.3 | Very low | 22 Ų | 22 | 45.1 Ų | 45.1 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 177 | -131.4 | -91.5 | 0 | 0 | 0 | 112.9 | L2347 A2348 E2349 G2353 V2354 R2355 S2390 K2393 L2394 | L2347-F2351 WeakPolarHBondContact O-CB 3.29Å; L2347-F2351 PolarHBondContact O-N 3.46Å; A2348-F2351 WeakPolarHBondContact O-CB 3.37Å; A2348-F2351 PolarHBondContact O-N 3.44Å; E2349-F2351 PolarHBondContact O-N 3.24Å; F2351-G2353 VanDerWaalsContact C-N 3.3Å; F2351-G2353 PolarHBondContact O-N 3.35Å; F2351-V2354 PolarHBondContact O-N 2.8Å; F2351-R2355 WeakPolarHBondContact O-CB 3.29Å; F2351-R2355 PolarHBondContact O-N 3.17Å; F2351-S2390 VanDerWaalsContact CZ-O 3.25Å; F2351-S2390 WeakPolarHBondContact CZ-O 3.21Å; F2351-K2393 HydrophobicContact CE1-CB 3.6Å; F2351-K2393 HydrophobicContact CZ-CB 3.58Å; F2351-L2394 HydrophobicContact CD1-CG 4.47Å; F2351-L2394 HydrophobicContact CE1-CB 4.02Å; F2351-L2394 HydrophobicContact CE1-CD1 4.21Å; F2351-L2394 HydrophobicContact CE1-CG 3.67Å; F2351-L2394 HydrophobicContact CE2-CD1 3.9Å; F2351-L2394 HydrophobicContact CE2-CG 4.27Å; F2351-L2394 HydrophobicContact CZ-CB 3.74Å; F2351-L2394 HydrophobicContact CZ-CD1 3.65Å; F2351-L2394 HydrophobicContact CZ-CG 3.53Å |
| 2352 | L | 47.4 | Very low | 45.6 | Very low | 55 Ų | 55 | 49.3 Ų | 49.3 | 29% | 0.288 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -76.9 | -19.1 | -176 | -172.7 | 158.1 | 0 | 0 | 0 | 111.4 | F2293 A2348 E2349 R2355 A2356 | F2293-L2352 HydrophobicContact CE1-CD2 3.9Å; F2293-L2352 VanDerWaalsContact CE2-C 3.42Å; F2293-L2352 HydrophobicContact CE2-CB 3.37Å; F2293-L2352 HydrophobicContact CE2-CD2 3.43Å; F2293-L2352 VanDerWaalsContact CE2-CD2 3.43Å; F2293-L2352 HydrophobicContact CE2-CG 3.88Å; F2293-L2352 HydrophobicContact CZ-CB 3.42Å; F2293-L2352 VanDerWaalsContact CZ-CB 3.42Å; F2293-L2352 HydrophobicContact CZ-CD1 3.99Å; F2293-L2352 HydrophobicContact CZ-CD2 3.07Å; F2293-L2352 HydrophobicContact CZ-CG 3.58Å; A2348-L2352 WeakPolarHBondContact O-CB 2.93Å; A2348-L2352 PolarHBondContact O-N 3.33Å; E2349-L2352 PolarHBondContact O-N 2.93Å; L2352-R2355 WeakPolarHBondContact O-CB 3.37Å; L2352-R2355 PolarHBondContact O-N 3.11Å; L2352-A2356 WeakPolarHBondContact O-CB 3.5Å; L2352-A2356 PolarHBondContact O-N 2.92Å |
| 2353 | G | 48 | Very low | 46 | Very low | 10 Ų | 10 | 49.2 Ų | 49.2 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.5 | -42.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2293 E2349 F2351 R2355 A2356 I2357 | F2293-G2353 VanDerWaalsContact CE2-N 3.26Å; E2349-G2353 PolarHBondContact O-N 3.44Å; F2351-G2353 VanDerWaalsContact C-N 3.3Å; F2351-G2353 PolarHBondContact O-N 3.35Å; G2353-R2355 VanDerWaalsContact C-N 3.28Å; G2353-R2355 PolarHBondContact O-N 2.88Å; G2353-A2356 PolarHBondContact O-N 2.76Å; G2353-I2357 WeakPolarHBondContact O-CG1 3.45Å; G2353-I2357 PolarHBondContact O-N 3.12Å |
| 2354 | V | 50.6 | Low | 46.7 | Very low | 38 Ų | 38 | 55.4 Ų | 55.4 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -35 | 170.1 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | V2350 F2351 I2357 I2358 L2394 | V2350-V2354 WeakPolarHBondContact O-CG2 3.25Å; V2350-V2354 PolarHBondContact O-N 2.84Å; F2351-V2354 PolarHBondContact O-N 2.8Å; V2354-I2357 PolarHBondContact O-N 2.96Å; V2354-I2358 HydrophobicContact CG1-CD1 4.29Å; V2354-I2358 WeakPolarHBondContact O-CD1 3.48Å; V2354-I2358 VanDerWaalsContact O-CG1 3.3Å; V2354-I2358 WeakPolarHBondContact O-CG1 3.33Å; V2354-I2358 PolarHBondContact O-N 3.48Å; V2354-L2394 HydrophobicContact CG1-CD2 3.7Å |
| 2355 | R | 50.4 | Low | 47.5 | Very low | 6 Ų | 6 | 53.9 Ų | 53.9 | 2% | 0.023 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 173.3 | -162.5 | 167.5 | 159.5 | 157.3 | -12.2 | 111.8 | E2036 E2043 F2351 L2352 G2353 I2357 I2358 H2359 S2397 | E2036-R2355 VanDerWaalsContact CG-NH2 3.27Å; E2036-R2355 PolarHBondContact O-NH2 3.41Å; E2043-R2355 IonicContact OE1-NH1 2.63Å; E2043-R2355 PolarHBondContact OE1-NH1 3.08Å; E2043-R2355 IonicContact OE2-NH1 2.62Å; E2043-R2355 PolarHBondContact OE2-NH1 2.7Å; F2351-R2355 WeakPolarHBondContact O-CB 3.29Å; F2351-R2355 PolarHBondContact O-N 3.17Å; L2352-R2355 WeakPolarHBondContact O-CB 3.37Å; L2352-R2355 PolarHBondContact O-N 3.11Å; G2353-R2355 VanDerWaalsContact C-N 3.28Å; G2353-R2355 PolarHBondContact O-N 2.88Å; R2355-I2357 PolarHBondContact O-N 3.39Å; R2355-I2358 WeakPolarHBondContact O-CA 3.39Å; R2355-I2358 WeakPolarHBondContact O-CB 3.29Å; R2355-I2358 PolarHBondContact O-N 3.19Å; R2355-I2358 VanDerWaalsContact O-N 3.1Å; R2355-H2359 PolarHBondContact O-CD2 3.22Å; R2355-H2359 PolarHBondContact O-N 3.34Å; R2355-S2397 PolarHBondContact NH1-OG 3.39Å |
| 2356 | A | 50.8 | Low | 48.5 | Very low | 51 Ų | 51 | 53 Ų | 53 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2352 G2353 I2358 H2359 L2360 | L2352-A2356 WeakPolarHBondContact O-CB 3.5Å; L2352-A2356 PolarHBondContact O-N 2.92Å; G2353-A2356 PolarHBondContact O-N 2.76Å; A2356-I2358 VanDerWaalsContact C-N 3.26Å; A2356-I2358 PolarHBondContact O-N 3.43Å; A2356-H2359 PolarHBondContact O-N 3.34Å; A2356-L2360 PolarHBondContact O-N 2.77Å |
| 2357 | I | 53.5 | Low | 49.3 | Very low | 60 Ų | 60 | 53.1 Ų | 53.1 | 31% | 0.308 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 173.6 | -64.4 | 167.4 | 0 | 0 | 0 | 111.3 | G2353 V2354 R2355 H2359 | G2353-I2357 WeakPolarHBondContact O-CG1 3.45Å; G2353-I2357 PolarHBondContact O-N 3.12Å; V2354-I2357 PolarHBondContact O-N 2.96Å; R2355-I2357 PolarHBondContact O-N 3.39Å; I2357-H2359 VanDerWaalsContact C-N 3.26Å; I2357-H2359 PolarHBondContact O-N 2.74Å |
| 2358 | I | 54.5 | Low | 50.3 | Low | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73.4 | -15.9 | 176.8 | -65.6 | 164 | 0 | 0 | 0 | 112.2 | V2354 R2355 A2356 R2368 V2371 L2394 A2398 S2401 | V2354-I2358 HydrophobicContact CG1-CD1 4.29Å; V2354-I2358 WeakPolarHBondContact O-CD1 3.48Å; V2354-I2358 VanDerWaalsContact O-CG1 3.3Å; V2354-I2358 WeakPolarHBondContact O-CG1 3.33Å; V2354-I2358 PolarHBondContact O-N 3.48Å; R2355-I2358 WeakPolarHBondContact O-CA 3.39Å; R2355-I2358 WeakPolarHBondContact O-CB 3.29Å; R2355-I2358 PolarHBondContact O-N 3.19Å; R2355-I2358 VanDerWaalsContact O-N 3.1Å; A2356-I2358 VanDerWaalsContact C-N 3.26Å; A2356-I2358 PolarHBondContact O-N 3.43Å; I2358-R2368 HydrophobicContact CG2-CG 4.31Å; I2358-V2371 HydrophobicContact CD1-CG1 4.08Å; I2358-L2394 HydrophobicContact CD1-CD2 4.08Å; I2358-A2398 HydrophobicContact CD1-CB 4.43Å; I2358-A2398 HydrophobicContact CG2-CB 4.44Å; I2358-S2401 PolarHBondContact O-OG 3.13Å |
| 2359 | H | 51.9 | Low | 51.5 | Low | 49 Ų | 49 | 56.7 Ų | 56.7 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -101.2 | -8.1 | -175.6 | -77.8 | -50.4 | 0 | 0 | 0 | 116.3 | W2035 R2355 A2356 I2357 S2361 | W2035-H2359 AromaticContact CH2-CD2 3.69Å; W2035-H2359 AromaticContact CH2-CE1 2.74Å; W2035-H2359 WeakPolarHBondContact CH2-CE1 3.31Å; W2035-H2359 AromaticContact CH2-CG 3.92Å; W2035-H2359 AromaticContact CH2-ND1 3.33Å; W2035-H2359 VanDerWaalsContact CH2-ND1 3.33Å; W2035-H2359 WeakPolarHBondContact CH2-ND1 3.34Å; W2035-H2359 AromaticContact CH2-NE2 2.98Å; W2035-H2359 WeakPolarHBondContact CH2-NE2 3.03Å; W2035-H2359 AromaticContact CZ2-CE1 3.27Å; W2035-H2359 WeakPolarHBondContact CZ2-CE1 3.43Å; W2035-H2359 AromaticContact CZ2-ND1 3.41Å; W2035-H2359 WeakPolarHBondContact CZ2-ND1 3.28Å; W2035-H2359 AromaticContact CZ2-NE2 3.9Å; W2035-H2359 AromaticContact CZ3-CE1 3.16Å; W2035-H2359 WeakPolarHBondContact CZ3-CE1 3.5Å; W2035-H2359 AromaticContact CZ3-NE2 3.36Å; W2035-H2359 WeakPolarHBondContact CZ3-NE2 3.42Å; R2355-H2359 PolarHBondContact O-CD2 3.22Å; R2355-H2359 PolarHBondContact O-N 3.34Å; A2356-H2359 PolarHBondContact O-N 3.34Å; I2357-H2359 VanDerWaalsContact C-N 3.26Å; I2357-H2359 PolarHBondContact O-N 2.74Å; H2359-S2361 PolarHBondContact O-N 3.36Å |
| 2360 | L | 52.9 | Low | 52.5 | Low | 36 Ų | 36 | 57.6 Ų | 57.6 | 19% | 0.188 | 31% | 0.313 | C | S | . | . | trans | -67 | 116.6 | 179.2 | -78.9 | 155.1 | 0 | 0 | 0 | 111.4 | Q2303 A2356 E2362 C2363 | Q2303-L2360 HydrophobicContact CB-CD2 4.31Å; Q2303-L2360 HydrophobicContact CG-CD2 3.93Å; A2356-L2360 PolarHBondContact O-N 2.77Å; L2360-E2362 PolarHBondContact O-N 3.18Å; L2360-C2363 PolarHBondContact O-N 3.23Å | ||
| 2361 | S | 48.1 | Very low | 53.3 | Low | 96 Ų | 96 | 58.5 Ų | 58.5 | 67% | 0.671 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13 | -171.7 | 54.7 | 0 | 0 | 0 | 0 | 115.7 | H2359 | H2359-S2361 PolarHBondContact O-N 3.36Š|
| 2362 | E | 44.7 | Very low | 54.3 | Low | 171 Ų | 171 | 57.7 Ų | 57.7 | 80% | 0.799 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -3 | -176.4 | -64.5 | -170 | 160.4 | 0 | 0 | 114.5 | L2360 | L2360-E2362 PolarHBondContact O-N 3.18Š|
| 2363 | C | 43.4 | Very low | 55.3 | Low | 36 Ų | 36 | 57.5 Ų | 57.5 | 24% | 0.243 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -85.8 | 129.3 | -177.8 | -81.1 | 0 | 0 | 0 | 0 | 113.3 | C2307 L2360 | C2307-C2363 PolarHBondContact SG-SG 3.47Å; L2360-C2363 PolarHBondContact O-N 3.23Å |
| 2364 | E | 51.3 | Low | 55.8 | Low | 144 Ų | 144 | 58.5 Ų | 58.5 | 67% | 0.673 | 33% | 0.329 | S | S | * | . | trans | -46.1 | 144 | 179.4 | -74 | -177.4 | 154.6 | 0 | 0 | 113.6 | S2366 Y2367 | E2364-S2366 PolarHBondContact O-N 3.42Å; E2364-Y2367 PolarHBondContact O-N 3.18Å | ||
| 2365 | A | 56.3 | Low | 56.7 | Low | 66 Ų | 66 | 57.1 Ų | 57.1 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -53.3 | -15.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q2369 | A2365-Q2369 PolarHBondContact O-N 3.38Å |
| 2366 | S | 58.8 | Low | 57.6 | Low | 37 Ų | 37 | 57.5 Ų | 57.5 | 26% | 0.259 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 179 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | E2364 Q2369 Q2370 | E2364-S2366 PolarHBondContact O-N 3.42Å; S2366-Q2369 PolarHBondContact O-N 3.22Å; S2366-Q2370 VanDerWaalsContact O-CG 3.29Å; S2366-Q2370 WeakPolarHBondContact O-CG 3.39Å; S2366-Q2370 PolarHBondContact O-N 3.29Å |
| 2367 | Y | 55.2 | Low | 58.4 | Low | 52 Ų | 52 | 60.2 Ų | 60.2 | 20% | 0.204 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.6 | -40.6 | -177.4 | -69.9 | -70.4 | 0 | 0 | 0 | 112.6 | S2311 V2314 E2364 Q2369 Q2370 V2371 | S2311-Y2367 VanDerWaalsContact CB-OH 3.23Å; S2311-Y2367 WeakPolarHBondContact CB-OH 3.26Å; V2314-Y2367 HydrophobicContact CB-CD1 4.15Å; V2314-Y2367 HydrophobicContact CB-CE1 3.85Å; V2314-Y2367 HydrophobicContact CG1-CD1 3.69Å; V2314-Y2367 HydrophobicContact CG1-CE1 3.65Å; E2364-Y2367 PolarHBondContact O-N 3.18Å; Y2367-Q2369 VanDerWaalsContact C-N 3.33Å; Y2367-Q2369 PolarHBondContact O-N 2.94Å; Y2367-Q2370 PolarHBondContact O-N 3.23Å; Y2367-V2371 WeakPolarHBondContact O-CG2 3.47Å; Y2367-V2371 PolarHBondContact O-N 3.36Å |
| 2368 | R | 62.6 | Low | 58.8 | Low | 53 Ų | 53 | 58.2 Ų | 58.2 | 20% | 0.2 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 172.4 | -85.5 | -178.3 | -82.3 | 161.2 | -9.1 | 111.3 | I2358 L2372 H2405 | I2358-R2368 HydrophobicContact CG2-CG 4.31Å; R2368-L2372 WeakPolarHBondContact O-CB 3.48Å; R2368-L2372 WeakPolarHBondContact O-CD1 3.39Å; R2368-L2372 WeakPolarHBondContact O-CG 3.36Å; R2368-L2372 PolarHBondContact O-N 3.44Å; R2368-H2405 PolarHBondContact NH1-CD2 3.42Å; R2368-H2405 VanDerWaalsContact NH1-CD2 3.3Å |
| 2369 | Q | 67.3 | Low | 59.4 | Low | 128 Ų | 128 | 57.8 Ų | 57.8 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | 173.8 | -95.5 | -176.5 | -21.6 | 0 | 0 | 112.9 | A2365 S2366 Y2367 L2372 A2373 | A2365-Q2369 PolarHBondContact O-N 3.38Å; S2366-Q2369 PolarHBondContact O-N 3.22Å; Y2367-Q2369 VanDerWaalsContact C-N 3.33Å; Y2367-Q2369 PolarHBondContact O-N 2.94Å; Q2369-L2372 PolarHBondContact O-N 2.96Å; Q2369-A2373 VanDerWaalsContact O-CB 3.3Å; Q2369-A2373 WeakPolarHBondContact O-CB 3.45Å; Q2369-A2373 PolarHBondContact O-N 3.4Å |
| 2370 | Q | 61.9 | Low | 60 | Low | 73 Ų | 73 | 60.9 Ų | 60.9 | 34% | 0.341 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 178.2 | -75.5 | 170.3 | 1.2 | 0 | 0 | 112.6 | S2366 Y2367 A2373 A2374 | S2366-Q2370 VanDerWaalsContact O-CG 3.29Å; S2366-Q2370 WeakPolarHBondContact O-CG 3.39Å; S2366-Q2370 PolarHBondContact O-N 3.29Å; Y2367-Q2370 PolarHBondContact O-N 3.23Å; Q2370-A2373 PolarHBondContact O-N 3.15Å; Q2370-A2374 WeakPolarHBondContact O-CB 3.48Å; Q2370-A2374 PolarHBondContact O-N 2.94Å |
| 2371 | V | 62 | Low | 60.3 | Low | 37 Ų | 37 | 67.8 Ų | 67.8 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 173.7 | 175.7 | 0 | 0 | 0 | 0 | 111 | I2358 Y2367 A2373 A2374 T2375 L2394 | I2358-V2371 HydrophobicContact CD1-CG1 4.08Å; Y2367-V2371 WeakPolarHBondContact O-CG2 3.47Å; Y2367-V2371 PolarHBondContact O-N 3.36Å; V2371-A2373 VanDerWaalsContact C-N 3.32Å; V2371-A2373 PolarHBondContact O-N 3.01Å; V2371-A2374 PolarHBondContact O-N 3.38Å; V2371-T2375 HydrophobicContact CG1-CG2 4.47Å; V2371-T2375 WeakPolarHBondContact O-CB 3.23Å; V2371-T2375 WeakPolarHBondContact O-CG2 3.38Å; V2371-T2375 PolarHBondContact O-N 2.92Å; V2371-T2375 PolarHBondContact O-OG1 2.95Å; V2371-L2394 HydrophobicContact CG1-CD2 3.96Å |
| 2372 | L | 68.9 | Low | 60.7 | Low | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.5 | -32.2 | 174.6 | -76.7 | 165.7 | 0 | 0 | 0 | 112.9 | R2368 Q2369 T2375 A2376 M2395 A2398 L2399 M2420 | R2368-L2372 WeakPolarHBondContact O-CB 3.48Å; R2368-L2372 WeakPolarHBondContact O-CD1 3.39Å; R2368-L2372 WeakPolarHBondContact O-CG 3.36Å; R2368-L2372 PolarHBondContact O-N 3.44Å; Q2369-L2372 PolarHBondContact O-N 2.96Å; L2372-T2375 WeakPolarHBondContact CA-OG1 3.43Å; L2372-T2375 PolarHBondContact O-OG1 3.35Å; L2372-T2375 VanDerWaalsContact O-OG1 3.13Å; L2372-A2376 VanDerWaalsContact O-CB 3.28Å; L2372-A2376 WeakPolarHBondContact O-CB 3.42Å; L2372-A2376 PolarHBondContact O-N 3.48Å; L2372-M2395 HydrophobicContact CD2-CG 4.18Å; L2372-A2398 HydrophobicContact CD2-CB 4.01Å; L2372-A2398 HydrophobicContact CG-CB 4.08Å; L2372-L2399 HydrophobicContact CD2-CD2 4.39Å; L2372-L2399 HydrophobicContact CD2-CG 4.25Å; L2372-M2420 HydrophobicContact CD1-SD 3.61Å |
| 2373 | A | 67.6 | Low | 61 | Low | 52 Ų | 52 | 60.3 Ų | 60.3 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74.3 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q2369 Q2370 V2371 A2376 Q2377 | Q2369-A2373 VanDerWaalsContact O-CB 3.3Å; Q2369-A2373 WeakPolarHBondContact O-CB 3.45Å; Q2369-A2373 PolarHBondContact O-N 3.4Å; Q2370-A2373 PolarHBondContact O-N 3.15Å; V2371-A2373 VanDerWaalsContact C-N 3.32Å; V2371-A2373 PolarHBondContact O-N 3.01Å; A2373-A2376 PolarHBondContact O-N 3.15Å; A2373-Q2377 PolarHBondContact O-N 3.38Å |
| 2374 | A | 60 | Low | 61.4 | Low | 31 Ų | 31 | 60.3 Ų | 60.3 | 26% | 0.256 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q2370 V2371 A2376 Q2377 C2378 | Q2370-A2374 WeakPolarHBondContact O-CB 3.48Å; Q2370-A2374 PolarHBondContact O-N 2.94Å; V2371-A2374 PolarHBondContact O-N 3.38Å; A2374-A2376 VanDerWaalsContact C-N 3.31Å; A2374-A2376 PolarHBondContact O-N 3.46Å; A2374-Q2377 PolarHBondContact O-N 3.16Å; A2374-C2378 PolarHBondContact O-N 3.15Å; A2374-C2378 VanDerWaalsContact O-N 3.11Å |
| 2375 | T | 67.9 | Low | 61.7 | Low | 9 Ų | 9 | 54.7 Ų | 54.7 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 174.3 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | V2371 L2372 C2378 F2379 L2394 M2395 | V2371-T2375 HydrophobicContact CG1-CG2 4.47Å; V2371-T2375 WeakPolarHBondContact O-CB 3.23Å; V2371-T2375 WeakPolarHBondContact O-CG2 3.38Å; V2371-T2375 PolarHBondContact O-N 2.92Å; V2371-T2375 PolarHBondContact O-OG1 2.95Å; L2372-T2375 WeakPolarHBondContact CA-OG1 3.43Å; L2372-T2375 PolarHBondContact O-OG1 3.35Å; L2372-T2375 VanDerWaalsContact O-OG1 3.13Å; T2375-C2378 PolarHBondContact O-N 3Å; T2375-F2379 PolarHBondContact O-N 3.3Å; T2375-F2379 VanDerWaalsContact O-N 3.15Å; T2375-L2394 HydrophobicContact CG2-CB 4.05Å; T2375-M2395 HydrophobicContact CG2-CB 4.44Å |
| 2376 | A | 69.8 | Low | 61.6 | Low | 13 Ų | 13 | 54.4 Ų | 54.4 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L2372 A2373 A2374 C2378 F2379 E2380 M2427 | L2372-A2376 VanDerWaalsContact O-CB 3.28Å; L2372-A2376 WeakPolarHBondContact O-CB 3.42Å; L2372-A2376 PolarHBondContact O-N 3.48Å; A2373-A2376 PolarHBondContact O-N 3.15Å; A2374-A2376 VanDerWaalsContact C-N 3.31Å; A2374-A2376 PolarHBondContact O-N 3.46Å; A2376-C2378 VanDerWaalsContact C-N 3.34Å; A2376-C2378 PolarHBondContact O-N 3.46Å; A2376-F2379 WeakPolarHBondContact O-CB 3.44Å; A2376-F2379 PolarHBondContact O-N 2.93Å; A2376-F2379 VanDerWaalsContact O-N 3.15Å; A2376-E2380 PolarHBondContact O-N 3.24Å; A2376-M2427 HydrophobicContact CB-CE 3.75Å; A2376-M2427 HydrophobicContact CB-SD 3.7Å |
| 2377 | Q | 66.9 | Low | 61.5 | Low | 108 Ų | 108 | 53.6 Ų | 53.6 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 174.2 | -85.9 | -174.8 | -9.2 | 0 | 0 | 112.9 | A2373 A2374 F2379 E2380 K2381 | A2373-Q2377 PolarHBondContact O-N 3.38Å; A2374-Q2377 PolarHBondContact O-N 3.16Å; Q2377-F2379 VanDerWaalsContact C-N 3.27Å; Q2377-F2379 PolarHBondContact O-N 3.02Å; Q2377-E2380 PolarHBondContact O-N 2.9Å; Q2377-E2380 VanDerWaalsContact O-N 3.16Å; Q2377-K2381 PolarHBondContact O-N 3.32Å |
| 2378 | C | 62.4 | Low | 62.2 | Low | 19 Ų | 19 | 51.1 Ų | 51.1 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -33.9 | 173.8 | -72.3 | 0 | 0 | 0 | 0 | 112.9 | L2331 A2374 T2375 A2376 K2381 P2382 A2391 | L2331-C2378 WeakPolarHBondContact CD1-SG 3.5Å; L2331-C2378 VanDerWaalsContact CD2-SG 3.59Å; A2374-C2378 PolarHBondContact O-N 3.15Å; A2374-C2378 VanDerWaalsContact O-N 3.11Å; T2375-C2378 PolarHBondContact O-N 3Å; A2376-C2378 VanDerWaalsContact C-N 3.34Å; A2376-C2378 PolarHBondContact O-N 3.46Å; C2378-K2381 CarbonylContact O-C 3.57Å; C2378-P2382 WeakPolarHBondContact O-CA 3.46Å; C2378-A2391 HydrophobicContact CB-CB 3.95Å |
| 2379 | F | 67.5 | Low | 62.4 | Low | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.8 | -34.5 | 172.5 | -97.9 | -98.3 | 0 | 0 | 0 | 111.8 | T2375 A2376 Q2377 M2388 A2391 F2392 M2395 M2427 I2428 Q2431 L2443 | T2375-F2379 PolarHBondContact O-N 3.3Å; T2375-F2379 VanDerWaalsContact O-N 3.15Å; A2376-F2379 WeakPolarHBondContact O-CB 3.44Å; A2376-F2379 PolarHBondContact O-N 2.93Å; A2376-F2379 VanDerWaalsContact O-N 3.15Å; Q2377-F2379 VanDerWaalsContact C-N 3.27Å; Q2377-F2379 PolarHBondContact O-N 3.02Å; F2379-M2388 HydrophobicContact CD1-CG 4.05Å; F2379-M2388 HydrophobicContact CD1-SD 4.29Å; F2379-M2388 HydrophobicContact CD2-CG 4.31Å; F2379-M2388 HydrophobicContact CE1-CG 3.62Å; F2379-M2388 HydrophobicContact CE1-SD 3.76Å; F2379-M2388 HydrophobicContact CE2-CG 3.91Å; F2379-M2388 HydrophobicContact CG-CG 4.37Å; F2379-M2388 HydrophobicContact CZ-CG 3.54Å; F2379-M2388 HydrophobicContact CZ-SD 4.16Å; F2379-A2391 HydrophobicContact CD2-CB 4.22Å; F2379-A2391 HydrophobicContact CE2-CB 4.11Å; F2379-F2392 HydrophobicContact CE2-CB 3.99Å; F2379-F2392 HydrophobicContact CE2-CD2 4.34Å; F2379-F2392 HydrophobicContact CZ-CB 3.83Å; F2379-F2392 AromaticContact CZ-CD2 3.74Å; F2379-F2392 HydrophobicContact CZ-CD2 3.74Å; F2379-F2392 HydrophobicContact CZ-CG 4.2Å; F2379-M2395 HydrophobicContact CE2-CE 4.28Å; F2379-M2395 HydrophobicContact CZ-CE 4.45Å; F2379-M2427 HydrophobicContact CB-CE 3.96Å; F2379-M2427 HydrophobicContact CB-CG 4.15Å; F2379-M2427 HydrophobicContact CB-SD 3.92Å; F2379-M2427 HydrophobicContact CG-CE 4.27Å; F2379-I2428 HydrophobicContact CE1-CG1 4.48Å; F2379-Q2431 HydrophobicContact CD1-CB 3.94Å; F2379-Q2431 HydrophobicContact CD1-CG 3.83Å; F2379-Q2431 HydrophobicContact CE1-CB 4.33Å; F2379-Q2431 HydrophobicContact CE1-CG 4.27Å; F2379-Q2431 PolarHBondContact O-NE2 3.49Å; F2379-L2443 HydrophobicContact CE1-CD2 4.22Å; F2379-L2443 HydrophobicContact CZ-CD2 4.11Å |
| 2380 | E | 65.3 | Low | 62.1 | Low | 114 Ų | 114 | 44.5 Ų | 44.5 | 53% | 0.533 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.5 | -33.9 | 179.1 | -74.4 | -165.5 | 149.4 | 0 | 0 | 114.6 | A2376 Q2377 | A2376-E2380 PolarHBondContact O-N 3.24Å; Q2377-E2380 PolarHBondContact O-N 2.9Å; Q2377-E2380 VanDerWaalsContact O-N 3.16Å |
| 2381 | K | 58.6 | Low | 62.3 | Low | 181 Ų | 181 | 41.2 Ų | 41.2 | 79% | 0.787 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -137.3 | 77.8 | 176.9 | -72.3 | -176.3 | 179.6 | 176.1 | 0 | 112.2 | Q2377 C2378 | Q2377-K2381 PolarHBondContact O-N 3.32Å; C2378-K2381 CarbonylContact O-C 3.57Å |
| 2382 | P | 56.3 | Low | 62.8 | Low | 49 Ų | 49 | 39.6 Ų | 39.6 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | trans | -70.6 | 129.4 | -177 | 26.9 | -33 | 0 | 0 | 0 | 111.6 | C2378 S2384 M2388 | C2378-P2382 WeakPolarHBondContact O-CA 3.46Å; P2382-S2384 VanDerWaalsContact C-N 3.32Å; P2382-M2388 HydrophobicContact CB-CB 4.5Å; P2382-M2388 HydrophobicContact CB-CE 4.39Å; P2382-M2388 HydrophobicContact CG-CE 4.26Å | ||
| 2383 | P | 50.1 | Low | 62.7 | Low | 60 Ų | 60 | 40.9 Ų | 40.9 | 39% | 0.39 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -73.5 | -23.5 | 174.4 | 6.6 | 1.5 | 0 | 0 | 0 | 113 | H2387 | P2383-H2387 WeakPolarHBondContact CB-ND1 3.29Å; P2383-H2387 HydrophobicContact CG-CB 4.41Å; P2383-H2387 VanDerWaalsContact CG-ND1 3.35Å; P2383-H2387 WeakPolarHBondContact CG-ND1 3.34Å |
| 2384 | S | 52.4 | Low | 62.7 | Low | 37 Ų | 37 | 39.7 Ų | 39.7 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -165.5 | 166 | 174.5 | 87.5 | 0 | 0 | 0 | 0 | 110.9 | P2382 C2386 H2387 M2388 | P2382-S2384 VanDerWaalsContact C-N 3.32Å; S2384-C2386 PolarHBondContact OG-SG 3.2Å; S2384-H2387 VanDerWaalsContact CB-CE1 3.47Å; S2384-H2387 WeakPolarHBondContact CB-CE1 3.5Å; S2384-H2387 WeakPolarHBondContact CB-ND1 3.4Å; S2384-H2387 PolarHBondContact N-ND1 2.89Å; S2384-H2387 VanDerWaalsContact O-CB 3.24Å; S2384-H2387 WeakPolarHBondContact O-CB 3.34Å; S2384-H2387 PolarHBondContact O-N 3.45Å; S2384-H2387 PolarHBondContact OG-CD2 2.98Å; S2384-H2387 PolarHBondContact OG-CE1 3.47Å; S2384-H2387 PolarHBondContact OG-ND1 2.97Å; S2384-H2387 PolarHBondContact OG-NE2 3.33Å; S2384-M2388 PolarHBondContact O-N 3.47Å |
| 2385 | S | 58.6 | Low | 63.4 | Low | 25 Ų | 25 | 38.3 Ų | 38.3 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | -178.7 | -35.1 | 0 | 0 | 0 | 0 | 113.9 | H2387 M2388 F2389 R2436 E2439 | S2385-H2387 PolarHBondContact O-N 2.98Å; S2385-M2388 WeakPolarHBondContact O-CB 3.29Å; S2385-M2388 PolarHBondContact O-N 3.34Å; S2385-M2388 VanDerWaalsContact O-N 3.11Å; S2385-F2389 WeakPolarHBondContact O-CD2 3.13Å; S2385-F2389 PolarHBondContact O-N 3.11Å; S2385-R2436 PolarHBondContact OG-NH1 3.08Å; S2385-E2439 WeakPolarHBondContact CB-OE1 3.45Å; S2385-E2439 WeakPolarHBondContact CB-OE2 3.35Å; S2385-E2439 PolarHBondContact OG-OE1 3.33Å; S2385-E2439 PolarHBondContact OG-OE2 3.5Å |
| 2386 | C | 54 | Low | 63.5 | Low | 61 Ų | 61 | 38 Ų | 38 | 41% | 0.412 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.3 | -28.8 | 176.9 | 17.4 | 0 | 0 | 0 | 0 | 111.9 | S2384 S2390 | S2384-C2386 PolarHBondContact OG-SG 3.2Å; C2386-S2390 PolarHBondContact O-N 2.76Å; C2386-S2390 VanDerWaalsContact O-N 3.17Å; C2386-S2390 PolarHBondContact O-OG 2.67Å |
| 2387 | H | 56.6 | Low | 63.4 | Low | 19 Ų | 19 | 37.4 Ų | 37.4 | 9% | 0.088 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.2 | -37.5 | 178.5 | -53 | 161.2 | 0 | 0 | 0 | 112.8 | L2335 L2339 P2383 S2384 S2385 A2391 | L2335-H2387 HydrophobicContact CD1-CB 3.98Å; L2335-H2387 HydrophobicContact CD2-CB 3.62Å; L2335-H2387 WeakPolarHBondContact CD2-CD2 3.41Å; L2335-H2387 WeakPolarHBondContact CD2-ND1 3.26Å; L2335-H2387 VanDerWaalsContact CD2-NE2 3.33Å; L2335-H2387 WeakPolarHBondContact CD2-NE2 3.48Å; L2335-H2387 HydrophobicContact CG-CB 4.12Å; L2335-H2387 WeakPolarHBondContact CG-CD2 3.29Å; L2339-H2387 WeakPolarHBondContact CD1-NE2 2.95Å; P2383-H2387 WeakPolarHBondContact CB-ND1 3.29Å; P2383-H2387 HydrophobicContact CG-CB 4.41Å; P2383-H2387 VanDerWaalsContact CG-ND1 3.35Å; P2383-H2387 WeakPolarHBondContact CG-ND1 3.34Å; S2384-H2387 VanDerWaalsContact CB-CE1 3.47Å; S2384-H2387 WeakPolarHBondContact CB-CE1 3.5Å; S2384-H2387 WeakPolarHBondContact CB-ND1 3.4Å; S2384-H2387 PolarHBondContact N-ND1 2.89Å; S2384-H2387 VanDerWaalsContact O-CB 3.24Å; S2384-H2387 WeakPolarHBondContact O-CB 3.34Å; S2384-H2387 PolarHBondContact O-N 3.45Å; S2384-H2387 PolarHBondContact OG-CD2 2.98Å; S2384-H2387 PolarHBondContact OG-CE1 3.47Å; S2384-H2387 PolarHBondContact OG-ND1 2.97Å; S2384-H2387 PolarHBondContact OG-NE2 3.33Å; S2385-H2387 PolarHBondContact O-N 2.98Å; H2387-A2391 WeakPolarHBondContact O-CB 3.2Å; H2387-A2391 PolarHBondContact O-N 2.88Å |
| 2388 | M | 69 | Low | 63.6 | Low | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.4 | -44.9 | 177 | -168.9 | -161.2 | -46.1 | 0 | 0 | 111.4 | F2379 P2382 S2384 S2385 S2390 A2391 F2392 Q2431 I2435 L2443 | F2379-M2388 HydrophobicContact CD1-CG 4.05Å; F2379-M2388 HydrophobicContact CD1-SD 4.29Å; F2379-M2388 HydrophobicContact CD2-CG 4.31Å; F2379-M2388 HydrophobicContact CE1-CG 3.62Å; F2379-M2388 HydrophobicContact CE1-SD 3.76Å; F2379-M2388 HydrophobicContact CE2-CG 3.91Å; F2379-M2388 HydrophobicContact CG-CG 4.37Å; F2379-M2388 HydrophobicContact CZ-CG 3.54Å; F2379-M2388 HydrophobicContact CZ-SD 4.16Å; P2382-M2388 HydrophobicContact CB-CB 4.5Å; P2382-M2388 HydrophobicContact CB-CE 4.39Å; P2382-M2388 HydrophobicContact CG-CE 4.26Å; S2384-M2388 PolarHBondContact O-N 3.47Å; S2385-M2388 WeakPolarHBondContact O-CB 3.29Å; S2385-M2388 PolarHBondContact O-N 3.34Å; S2385-M2388 VanDerWaalsContact O-N 3.11Å; M2388-S2390 VanDerWaalsContact C-N 3.3Å; M2388-S2390 PolarHBondContact O-N 3.08Å; M2388-A2391 PolarHBondContact O-N 3.18Å; M2388-F2392 WeakPolarHBondContact O-CB 3.42Å; M2388-F2392 PolarHBondContact O-N 3.23Å; M2388-Q2431 HydrophobicContact CE-CG 4Å; M2388-Q2431 HydrophobicContact SD-CG 3.84Å; M2388-I2435 HydrophobicContact CE-CB 4.29Å; M2388-I2435 HydrophobicContact CE-CD1 3.79Å; M2388-I2435 HydrophobicContact CE-CG1 4.07Å; M2388-I2435 HydrophobicContact CE-CG2 3.3Å; M2388-I2435 HydrophobicContact SD-CD1 3.66Å; M2388-I2435 HydrophobicContact SD-CG1 4.49Å; M2388-L2443 HydrophobicContact CG-CD1 4.39Å; M2388-L2443 HydrophobicContact SD-CD1 3.21Å; M2388-L2443 WeakPolarHBondContact SD-CD1 3.5Å |
| 2389 | F | 67 | Low | 64.1 | Low | 13 Ų | 13 | 31.6 Ų | 31.6 | 6% | 0.057 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 178 | -63.1 | -56.3 | 0 | 0 | 0 | 112.4 | F2046 I2050 S2385 F2392 K2393 E2439 A2442 L2443 | F2046-F2389 HydrophobicContact CE1-CB 4.45Å; F2046-F2389 AromaticContact CE1-CD1 3.96Å; F2046-F2389 HydrophobicContact CE1-CD1 3.96Å; F2046-F2389 AromaticContact CZ-CD1 3.88Å; F2046-F2389 HydrophobicContact CZ-CD1 3.88Å; F2046-F2389 HydrophobicContact CZ-CE1 4.39Å; I2050-F2389 HydrophobicContact CD1-CB 3.76Å; I2050-F2389 HydrophobicContact CD1-CD1 3.63Å; I2050-F2389 HydrophobicContact CD1-CD2 4.07Å; I2050-F2389 HydrophobicContact CD1-CE1 4.2Å; I2050-F2389 HydrophobicContact CD1-CG 3.56Å; I2050-F2389 HydrophobicContact CG1-CD1 4.13Å; I2050-F2389 HydrophobicContact CG1-CE1 4.19Å; I2050-F2389 HydrophobicContact CG1-CG 4.3Å; I2050-F2389 HydrophobicContact CG1-CZ 4.41Å; I2050-F2389 HydrophobicContact CG2-CD2 4.43Å; I2050-F2389 HydrophobicContact CG2-CE2 4.45Å; S2385-F2389 WeakPolarHBondContact O-CD2 3.13Å; S2385-F2389 PolarHBondContact O-N 3.11Å; F2389-F2392 WeakPolarHBondContact O-CB 3.35Å; F2389-F2392 PolarHBondContact O-N 3.45Å; F2389-K2393 PolarHBondContact O-N 2.65Å; F2389-E2439 HydrophobicContact CE2-CB 4.33Å; F2389-E2439 HydrophobicContact CE2-CG 4.05Å; F2389-E2439 HydrophobicContact CZ-CB 3.67Å; F2389-E2439 HydrophobicContact CZ-CG 3.88Å; F2389-A2442 HydrophobicContact CE1-CB 4.14Å; F2389-A2442 HydrophobicContact CZ-CB 4.35Å; F2389-L2443 HydrophobicContact CD1-CD1 4.25Å; F2389-L2443 HydrophobicContact CD1-CG 4.22Å; F2389-L2443 HydrophobicContact CE1-CD1 3.76Å; F2389-L2443 HydrophobicContact CE1-CG 3.84Å |
| 2390 | S | 60.9 | Low | 64.1 | Low | 28 Ų | 28 | 32 Ų | 32 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 173.6 | -52.8 | 0 | 0 | 0 | 0 | 111 | F2351 C2386 M2388 F2392 K2393 L2394 | F2351-S2390 VanDerWaalsContact CZ-O 3.25Å; F2351-S2390 WeakPolarHBondContact CZ-O 3.21Å; C2386-S2390 PolarHBondContact O-N 2.76Å; C2386-S2390 VanDerWaalsContact O-N 3.17Å; C2386-S2390 PolarHBondContact O-OG 2.67Å; M2388-S2390 VanDerWaalsContact C-N 3.3Å; M2388-S2390 PolarHBondContact O-N 3.08Å; S2390-F2392 VanDerWaalsContact C-N 3.25Å; S2390-F2392 PolarHBondContact O-N 3.3Å; S2390-K2393 PolarHBondContact O-N 2.84Å; S2390-L2394 PolarHBondContact O-N 3.22Å |
| 2391 | A | 66.9 | Low | 64.3 | Low | 5 Ų | 5 | 26.6 Ų | 26.6 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -32.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | C2378 F2379 H2387 M2388 L2394 M2395 | C2378-A2391 HydrophobicContact CB-CB 3.95Å; F2379-A2391 HydrophobicContact CD2-CB 4.22Å; F2379-A2391 HydrophobicContact CE2-CB 4.11Å; H2387-A2391 WeakPolarHBondContact O-CB 3.2Å; H2387-A2391 PolarHBondContact O-N 2.88Å; M2388-A2391 PolarHBondContact O-N 3.18Å; A2391-L2394 PolarHBondContact O-N 3.23Å; A2391-M2395 WeakPolarHBondContact O-CB 3.28Å; A2391-M2395 PolarHBondContact O-N 2.94Å |
| 2392 | F | 73 | Confident | 64.8 | Low | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.9 | -45.9 | 178.7 | -172 | -111.1 | 0 | 0 | 0 | 112.4 | F2042 F2046 F2379 M2388 F2389 S2390 L2394 M2395 L2396 I2428 L2443 | F2042-F2392 HydrophobicContact CE1-CE1 4.19Å; F2042-F2392 HydrophobicContact CZ-CE1 4.17Å; F2046-F2392 HydrophobicContact CD1-CD1 4.3Å; F2046-F2392 HydrophobicContact CD2-CE1 4.22Å; F2046-F2392 AromaticContact CE1-CD1 3.56Å; F2046-F2392 HydrophobicContact CE1-CD1 3.56Å; F2046-F2392 HydrophobicContact CE1-CE1 4.14Å; F2046-F2392 AromaticContact CE2-CD1 3.88Å; F2046-F2392 HydrophobicContact CE2-CD1 3.88Å; F2046-F2392 AromaticContact CE2-CE1 3.63Å; F2046-F2392 HydrophobicContact CE2-CE1 3.63Å; F2046-F2392 AromaticContact CZ-CD1 3.32Å; F2046-F2392 HydrophobicContact CZ-CD1 3.32Å; F2046-F2392 AromaticContact CZ-CE1 3.59Å; F2046-F2392 HydrophobicContact CZ-CE1 3.59Å; F2046-F2392 HydrophobicContact CZ-CG 4.26Å; F2379-F2392 HydrophobicContact CE2-CB 3.99Å; F2379-F2392 HydrophobicContact CE2-CD2 4.34Å; F2379-F2392 HydrophobicContact CZ-CB 3.83Å; F2379-F2392 AromaticContact CZ-CD2 3.74Å; F2379-F2392 HydrophobicContact CZ-CD2 3.74Å; F2379-F2392 HydrophobicContact CZ-CG 4.2Å; M2388-F2392 WeakPolarHBondContact O-CB 3.42Å; M2388-F2392 PolarHBondContact O-N 3.23Å; F2389-F2392 WeakPolarHBondContact O-CB 3.35Å; F2389-F2392 PolarHBondContact O-N 3.45Å; S2390-F2392 VanDerWaalsContact C-N 3.25Å; S2390-F2392 PolarHBondContact O-N 3.3Å; F2392-L2394 VanDerWaalsContact C-N 3.32Å; F2392-L2394 PolarHBondContact O-N 3.43Å; F2392-M2395 HydrophobicContact CD2-CE 3.55Å; F2392-M2395 HydrophobicContact CE2-CE 3.92Å; F2392-M2395 PolarHBondContact O-N 2.95Å; F2392-L2396 HydrophobicContact CD1-CD1 3.63Å; F2392-L2396 HydrophobicContact CE1-CD1 3.36Å; F2392-L2396 HydrophobicContact CE1-CG 4.41Å; F2392-L2396 HydrophobicContact CE2-CD1 4.44Å; F2392-L2396 HydrophobicContact CG-CD1 4.32Å; F2392-L2396 HydrophobicContact CZ-CD1 3.8Å; F2392-L2396 HydrophobicContact CZ-CG 4.44Å; F2392-L2396 PolarHBondContact O-N 3.3Å; F2392-I2428 HydrophobicContact CD2-CD1 4.43Å; F2392-I2428 HydrophobicContact CD2-CG1 4.48Å; F2392-I2428 HydrophobicContact CE2-CD1 3.66Å; F2392-I2428 HydrophobicContact CE2-CG1 4.05Å; F2392-L2443 HydrophobicContact CB-CD2 4.49Å; F2392-L2443 HydrophobicContact CD1-CD2 4.26Å; F2392-L2443 HydrophobicContact CD2-CD2 3.69Å; F2392-L2443 HydrophobicContact CE1-CD2 4.42Å; F2392-L2443 HydrophobicContact CE2-CD2 3.9Å; F2392-L2443 HydrophobicContact CG-CD2 3.89Å; F2392-L2443 HydrophobicContact CZ-CD2 4.26Å |
| 2393 | K | 66.1 | Low | 65.2 | Low | 31 Ų | 31 | 18.9 Ų | 18.9 | 14% | 0.135 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 175.4 | -68.9 | -175.9 | -179.4 | -175.4 | 0 | 112.4 | E2043 D2047 F2351 F2389 S2390 L2396 S2397 | E2043-K2393 HydrophobicContact CG-CB 4.46Å; E2043-K2393 HydrophobicContact CG-CD 4.38Å; E2043-K2393 HydrophobicContact CG-CG 4.19Å; D2047-K2393 WeakPolarHBondContact OD1-CE 3.29Å; D2047-K2393 IonicContact OD1-NZ 3.08Å; D2047-K2393 PolarHBondContact OD1-NZ 3.34Å; D2047-K2393 IonicContact OD2-NZ 3.84Å; D2047-K2393 PolarHBondContact OD2-NZ 2.88Å; F2351-K2393 HydrophobicContact CE1-CB 3.6Å; F2351-K2393 HydrophobicContact CZ-CB 3.58Å; F2389-K2393 PolarHBondContact O-N 2.65Å; S2390-K2393 PolarHBondContact O-N 2.84Å; K2393-L2396 PolarHBondContact O-N 3.24Å; K2393-S2397 PolarHBondContact O-N 2.86Å; K2393-S2397 PolarHBondContact O-OG 3.36Å |
| 2394 | L | 66.6 | Low | 65.9 | Low | 28 Ų | 28 | 17.6 Ų | 17.6 | 15% | 0.147 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | 178.8 | -118.5 | 156.6 | 0 | 0 | 0 | 111.7 | F2351 V2354 I2358 V2371 T2375 S2390 A2391 F2392 A2398 | F2351-L2394 HydrophobicContact CD1-CG 4.47Å; F2351-L2394 HydrophobicContact CE1-CB 4.02Å; F2351-L2394 HydrophobicContact CE1-CD1 4.21Å; F2351-L2394 HydrophobicContact CE1-CG 3.67Å; F2351-L2394 HydrophobicContact CE2-CD1 3.9Å; F2351-L2394 HydrophobicContact CE2-CG 4.27Å; F2351-L2394 HydrophobicContact CZ-CB 3.74Å; F2351-L2394 HydrophobicContact CZ-CD1 3.65Å; F2351-L2394 HydrophobicContact CZ-CG 3.53Å; V2354-L2394 HydrophobicContact CG1-CD2 3.7Å; I2358-L2394 HydrophobicContact CD1-CD2 4.08Å; V2371-L2394 HydrophobicContact CG1-CD2 3.96Å; T2375-L2394 HydrophobicContact CG2-CB 4.05Å; S2390-L2394 PolarHBondContact O-N 3.22Å; A2391-L2394 PolarHBondContact O-N 3.23Å; F2392-L2394 VanDerWaalsContact C-N 3.32Å; F2392-L2394 PolarHBondContact O-N 3.43Å; L2394-A2398 PolarHBondContact O-N 3.42Å; L2394-A2398 VanDerWaalsContact O-N 3.09Å |
| 2395 | M | 74.8 | Confident | 66.3 | Low | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 173.8 | -179 | 173.4 | 62.7 | 0 | 0 | 111.8 | L2372 T2375 F2379 A2391 F2392 A2398 L2399 R2424 M2427 I2428 | L2372-M2395 HydrophobicContact CD2-CG 4.18Å; T2375-M2395 HydrophobicContact CG2-CB 4.44Å; F2379-M2395 HydrophobicContact CE2-CE 4.28Å; F2379-M2395 HydrophobicContact CZ-CE 4.45Å; A2391-M2395 WeakPolarHBondContact O-CB 3.28Å; A2391-M2395 PolarHBondContact O-N 2.94Å; F2392-M2395 HydrophobicContact CD2-CE 3.55Å; F2392-M2395 HydrophobicContact CE2-CE 3.92Å; F2392-M2395 PolarHBondContact O-N 2.95Å; M2395-A2398 PolarHBondContact O-N 2.76Å; M2395-L2399 HydrophobicContact CG-CD1 4.05Å; M2395-L2399 WeakPolarHBondContact O-CG 3.31Å; M2395-L2399 PolarHBondContact O-N 3.25Å; M2395-R2424 HydrophobicContact SD-CB 4.06Å; M2395-R2424 HydrophobicContact SD-CG 4.12Å; M2395-M2427 HydrophobicContact SD-CE 3.97Å; M2395-I2428 HydrophobicContact CE-CD1 3.83Å; M2395-I2428 HydrophobicContact CE-CG1 4.01Å |
| 2396 | L | 69.7 | Low | 66.4 | Low | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -48.5 | 176.4 | -80.2 | 158.2 | 0 | 0 | 0 | 112.1 | F2042 F2392 K2393 A2398 L2399 Y2400 F2450 | F2042-L2396 HydrophobicContact CD1-CD1 3.86Å; F2042-L2396 HydrophobicContact CE1-CD1 3.22Å; F2042-L2396 HydrophobicContact CE1-CG 4.46Å; F2042-L2396 HydrophobicContact CZ-CD1 4.07Å; F2392-L2396 HydrophobicContact CD1-CD1 3.63Å; F2392-L2396 HydrophobicContact CE1-CD1 3.36Å; F2392-L2396 HydrophobicContact CE1-CG 4.41Å; F2392-L2396 HydrophobicContact CE2-CD1 4.44Å; F2392-L2396 HydrophobicContact CG-CD1 4.32Å; F2392-L2396 HydrophobicContact CZ-CD1 3.8Å; F2392-L2396 HydrophobicContact CZ-CG 4.44Å; F2392-L2396 PolarHBondContact O-N 3.3Å; K2393-L2396 PolarHBondContact O-N 3.24Å; L2396-A2398 PolarHBondContact O-N 2.95Å; L2396-L2399 PolarHBondContact O-N 3.07Å; L2396-Y2400 HydrophobicContact CD2-CE2 4.07Å; L2396-Y2400 VanDerWaalsContact O-CD2 3.31Å; L2396-Y2400 WeakPolarHBondContact O-CD2 3.48Å; L2396-Y2400 PolarHBondContact O-N 3.47Å; L2396-F2450 HydrophobicContact CD2-CB 4.08Å; L2396-F2450 HydrophobicContact CD2-CD1 4.31Å; L2396-F2450 HydrophobicContact CD2-CD2 3.21Å; L2396-F2450 HydrophobicContact CD2-CE2 3.62Å; L2396-F2450 HydrophobicContact CD2-CG 3.6Å; L2396-F2450 HydrophobicContact CD2-CZ 4.32Å |
| 2397 | S | 68.6 | Low | 66.5 | Low | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54 | -40.7 | 175.7 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | E2043 R2355 K2393 S2401 | E2043-S2397 PolarHBondContact OE1-OG 3.23Å; R2355-S2397 PolarHBondContact NH1-OG 3.39Å; K2393-S2397 PolarHBondContact O-N 2.86Å; K2393-S2397 PolarHBondContact O-OG 3.36Å; S2397-S2401 WeakPolarHBondContact O-CB 3.46Å; S2397-S2401 PolarHBondContact O-N 3.12Å; S2397-S2401 VanDerWaalsContact O-N 3.16Å |
| 2398 | A | 70.9 | Confident | 66.4 | Low | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.6 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I2358 L2372 L2394 M2395 L2396 A2402 | I2358-A2398 HydrophobicContact CD1-CB 4.43Å; I2358-A2398 HydrophobicContact CG2-CB 4.44Å; L2372-A2398 HydrophobicContact CD2-CB 4.01Å; L2372-A2398 HydrophobicContact CG-CB 4.08Å; L2394-A2398 PolarHBondContact O-N 3.42Å; L2394-A2398 VanDerWaalsContact O-N 3.09Å; M2395-A2398 PolarHBondContact O-N 2.76Å; L2396-A2398 PolarHBondContact O-N 2.95Å; A2398-A2402 WeakPolarHBondContact O-CB 3.39Å; A2398-A2402 PolarHBondContact O-N 3.02Å |
| 2399 | L | 72 | Confident | 65.3 | Low | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.4 | -42.3 | 177.2 | -74.3 | 166.7 | 0 | 0 | 0 | 112.3 | L2372 M2395 L2396 S2401 A2402 K2403 F2417 V2421 F2450 | L2372-L2399 HydrophobicContact CD2-CD2 4.39Å; L2372-L2399 HydrophobicContact CD2-CG 4.25Å; M2395-L2399 HydrophobicContact CG-CD1 4.05Å; M2395-L2399 WeakPolarHBondContact O-CG 3.31Å; M2395-L2399 PolarHBondContact O-N 3.25Å; L2396-L2399 PolarHBondContact O-N 3.07Å; L2399-S2401 VanDerWaalsContact C-N 3.34Å; L2399-S2401 PolarHBondContact O-N 3.42Å; L2399-A2402 PolarHBondContact O-N 3.37Å; L2399-K2403 PolarHBondContact O-N 3.22Å; L2399-F2417 WeakPolarHBondContact O-CE2 3.25Å; L2399-V2421 HydrophobicContact CD2-CG2 4.03Å; L2399-F2450 HydrophobicContact CB-CZ 4.2Å; L2399-F2450 HydrophobicContact CD1-CE1 4.25Å; L2399-F2450 HydrophobicContact CD1-CZ 3.87Å |
| 2400 | Y | 69.2 | Low | 64.4 | Low | 8 Ų | 8 | 32.3 Ų | 32.3 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 174.7 | -83.3 | -85.2 | 0 | 0 | 0 | 111.7 | C2039 L2396 K2403 A2404 F2450 E2453 H2454 | C2039-Y2400 HydrophobicContact CB-CD2 4.1Å; C2039-Y2400 HydrophobicContact CB-CE2 4.42Å; C2039-Y2400 HydrophobicContact CB-CG 4.17Å; L2396-Y2400 HydrophobicContact CD2-CE2 4.07Å; L2396-Y2400 VanDerWaalsContact O-CD2 3.31Å; L2396-Y2400 WeakPolarHBondContact O-CD2 3.48Å; L2396-Y2400 PolarHBondContact O-N 3.47Å; Y2400-K2403 PolarHBondContact O-N 3.02Å; Y2400-A2404 PolarHBondContact O-N 3.31Å; Y2400-F2450 HydrophobicContact CD2-CE2 4.45Å; Y2400-F2450 AromaticContact CE2-CD2 3.93Å; Y2400-F2450 HydrophobicContact CE2-CD2 3.93Å; Y2400-F2450 AromaticContact CE2-CE2 3.97Å; Y2400-F2450 HydrophobicContact CE2-CE2 3.97Å; Y2400-E2453 PolarHBondContact OH-OE2 3.14Å; Y2400-H2454 AromaticContact CD1-CE1 3.84Å; Y2400-H2454 AromaticContact CD1-NE2 3.78Å; Y2400-H2454 AromaticContact CE1-CE1 3.51Å; Y2400-H2454 AromaticContact CE1-NE2 3.03Å; Y2400-H2454 WeakPolarHBondContact CE1-NE2 3.4Å; Y2400-H2454 AromaticContact CZ-NE2 3.24Å; Y2400-H2454 PolarHBondContact OH-NE2 3.23Å |
| 2401 | S | 69.1 | Low | 64 | Low | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 170.6 | 173.1 | 0 | 0 | 0 | 0 | 112.4 | I2358 S2397 L2399 K2403 A2404 H2405 | I2358-S2401 PolarHBondContact O-OG 3.13Å; S2397-S2401 WeakPolarHBondContact O-CB 3.46Å; S2397-S2401 PolarHBondContact O-N 3.12Å; S2397-S2401 VanDerWaalsContact O-N 3.16Å; L2399-S2401 VanDerWaalsContact C-N 3.34Å; L2399-S2401 PolarHBondContact O-N 3.42Å; S2401-K2403 VanDerWaalsContact C-N 3.32Å; S2401-K2403 PolarHBondContact O-N 2.96Å; S2401-A2404 PolarHBondContact O-N 2.94Å; S2401-H2405 PolarHBondContact O-CD2 2.94Å; S2401-H2405 PolarHBondContact O-N 3.25Å |
| 2402 | A | 68 | Low | 63.5 | Low | 13 Ų | 13 | 40.6 Ų | 40.6 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.6 | -36.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | A2398 L2399 H2405 S2406 F2417 | A2398-A2402 WeakPolarHBondContact O-CB 3.39Å; A2398-A2402 PolarHBondContact O-N 3.02Å; L2399-A2402 PolarHBondContact O-N 3.37Å; A2402-H2405 PolarHBondContact O-N 3.41Å; A2402-S2406 PolarHBondContact O-N 2.79Å; A2402-F2417 HydrophobicContact CB-CD2 4.2Å; A2402-F2417 HydrophobicContact CB-CE2 4.2Å |
| 2403 | K | 66.6 | Low | 62.7 | Low | 56 Ų | 56 | 41.2 Ų | 41.2 | 24% | 0.243 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 175.7 | -170.3 | 167.7 | 174.1 | 179 | 0 | 112.6 | L2399 Y2400 S2401 H2405 S2406 D2407 F2417 H2454 | L2399-K2403 PolarHBondContact O-N 3.22Å; Y2400-K2403 PolarHBondContact O-N 3.02Å; S2401-K2403 VanDerWaalsContact C-N 3.32Å; S2401-K2403 PolarHBondContact O-N 2.96Å; K2403-H2405 PolarHBondContact O-N 3.33Å; K2403-S2406 WeakPolarHBondContact CA-OG 3.46Å; K2403-S2406 PolarHBondContact O-N 3.01Å; K2403-S2406 PolarHBondContact O-OG 3.2Å; K2403-D2407 PolarHBondContact O-N 3.02Å; K2403-D2407 VanDerWaalsContact O-N 3.08Å; K2403-F2417 HydrophobicContact CB-CD2 4.34Å; K2403-F2417 HydrophobicContact CB-CE1 4.16Å; K2403-F2417 HydrophobicContact CB-CE2 3.69Å; K2403-F2417 HydrophobicContact CB-CZ 3.58Å; K2403-F2417 HydrophobicContact CD-CE1 3.91Å; K2403-F2417 HydrophobicContact CD-CZ 3.96Å; K2403-F2417 HydrophobicContact CG-CE1 4.09Å; K2403-F2417 HydrophobicContact CG-CE2 4.48Å; K2403-F2417 HydrophobicContact CG-CZ 4.02Å; K2403-H2454 VanDerWaalsContact CD-CE1 3.49Å; K2403-H2454 WeakPolarHBondContact CD-CE1 3.4Å; K2403-H2454 WeakPolarHBondContact CD-ND1 3.5Å; K2403-H2454 PolarHBondContact NZ-ND1 2.86Å |
| 2404 | A | 62.9 | Low | 62.4 | Low | 32 Ų | 32 | 45 Ų | 45 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.6 | -33.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W2035 Y2400 S2401 V2408 | W2035-A2404 HydrophobicContact CG-CB 4.43Å; Y2400-A2404 PolarHBondContact O-N 3.31Å; S2401-A2404 PolarHBondContact O-N 2.94Å; A2404-V2408 WeakPolarHBondContact O-CG2 3.3Å |
| 2405 | H | 61.6 | Low | 62.4 | Low | 66 Ų | 66 | 47.1 Ų | 47.1 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -81 | -24.9 | 173.6 | -77.1 | -66 | 0 | 0 | 0 | 114.4 | R2368 S2401 A2402 K2403 | R2368-H2405 PolarHBondContact NH1-CD2 3.42Å; R2368-H2405 VanDerWaalsContact NH1-CD2 3.3Å; S2401-H2405 PolarHBondContact O-CD2 2.94Å; S2401-H2405 PolarHBondContact O-N 3.25Å; A2402-H2405 PolarHBondContact O-N 3.41Å; K2403-H2405 PolarHBondContact O-N 3.33Å |
| 2406 | S | 61.4 | Low | 62.1 | Low | 14 Ų | 14 | 53.8 Ų | 53.8 | 10% | 0.098 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.2 | -31.6 | 175.1 | 65 | 0 | 0 | 0 | 0 | 112.6 | A2402 K2403 V2408 A2409 | A2402-S2406 PolarHBondContact O-N 2.79Å; K2403-S2406 WeakPolarHBondContact CA-OG 3.46Å; K2403-S2406 PolarHBondContact O-N 3.01Å; K2403-S2406 PolarHBondContact O-OG 3.2Å; S2406-V2408 PolarHBondContact O-N 2.99Å; S2406-A2409 PolarHBondContact O-N 2.68Å |
| 2407 | D | 54.8 | Low | 62.3 | Low | 109 Ų | 109 | 54.2 Ų | 54.2 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.2 | 178.1 | -67.2 | -13.2 | 0 | 0 | 0 | 112.5 | K2403 | K2403-D2407 PolarHBondContact O-N 3.02Å; K2403-D2407 VanDerWaalsContact O-N 3.08Å |
| 2408 | V | 55.2 | Low | 62.5 | Low | 129 Ų | 129 | 58 Ų | 58 | 78% | 0.782 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -16.3 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | A2404 S2406 | A2404-V2408 WeakPolarHBondContact O-CG2 3.3Å; S2406-V2408 PolarHBondContact O-N 2.99Å |
| 2409 | A | 45.3 | Very low | 62.8 | Low | 57 Ų | 57 | 62.7 Ų | 62.7 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -110.5 | 133.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S2406 | S2406-A2409 PolarHBondContact O-N 2.68Š|
| 2410 | S | 48.8 | Very low | 63 | Low | 91 Ų | 91 | 64.9 Ų | 64.9 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | trans | -40.1 | 153.4 | -176 | 55.3 | 0 | 0 | 0 | 0 | 116.2 | S2412 G2413 | S2410-S2412 PolarHBondContact O-N 3.03Å; S2410-S2412 PolarHBondContact O-OG 3.45Å; S2410-G2413 PolarHBondContact O-N 2.78Å | ||
| 2411 | T | 52.9 | Low | 63.2 | Low | 129 Ų | 129 | 64.6 Ų | 64.6 | 79% | 0.791 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -29.6 | -16.5 | -177.4 | 45.9 | 0 | 0 | 0 | 0 | 120.4 | ||
| 2412 | S | 55.9 | Low | 63.7 | Low | 78 Ų | 78 | 66.6 Ų | 66.6 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.8 | -27.1 | 167.1 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | S2410 S2415 | S2410-S2412 PolarHBondContact O-N 3.03Å; S2410-S2412 PolarHBondContact O-OG 3.45Å; S2412-S2415 PolarHBondContact O-N 2.91Å; S2412-S2415 PolarHBondContact O-OG 3.35Å |
| 2413 | G | 56.4 | Low | 64.2 | Low | 15 Ų | 15 | 71.2 Ų | 71.2 | 16% | 0.155 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.7 | -39.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S2410 S2415 Q2416 F2417 | S2410-G2413 PolarHBondContact O-N 2.78Å; G2413-S2415 VanDerWaalsContact C-N 3.29Å; G2413-S2415 PolarHBondContact O-N 3.42Å; G2413-Q2416 PolarHBondContact O-N 3.36Å; G2413-F2417 PolarHBondContact O-N 3.36Å; G2413-F2417 VanDerWaalsContact O-N 3.1Å |
| 2414 | E | 60.1 | Low | 64.7 | Low | 111 Ų | 111 | 70.2 Ų | 70.2 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.5 | -38.5 | 177.6 | -84.2 | -176 | 131.6 | 0 | 0 | 112.4 | Q2416 F2417 N2418 | E2414-Q2416 PolarHBondContact O-N 3.44Å; E2414-F2417 PolarHBondContact O-N 2.73Å; E2414-N2418 WeakPolarHBondContact O-CB 3.43Å; E2414-N2418 VanDerWaalsContact O-CG 3.24Å; E2414-N2418 PolarHBondContact O-N 2.89Å; E2414-N2418 PolarHBondContact O-ND2 3.17Å |
| 2415 | S | 65.9 | Low | 65.4 | Low | 71 Ų | 71 | 68.9 Ų | 68.9 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | -178.8 | 71.3 | 0 | 0 | 0 | 0 | 112.7 | S2412 G2413 V2419 | S2412-S2415 PolarHBondContact O-N 2.91Å; S2412-S2415 PolarHBondContact O-OG 3.35Å; G2413-S2415 VanDerWaalsContact C-N 3.29Å; G2413-S2415 PolarHBondContact O-N 3.42Å; S2415-V2419 VanDerWaalsContact O-CG2 3.3Å; S2415-V2419 WeakPolarHBondContact O-CG2 3.45Å; S2415-V2419 PolarHBondContact O-N 2.99Å; S2415-V2419 VanDerWaalsContact O-N 3.14Å |
| 2416 | Q | 69.7 | Low | 66.3 | Low | 142 Ų | 142 | 68 Ų | 68 | 66% | 0.664 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -71 | -38.1 | 176.4 | -78.7 | -175.4 | -11.8 | 0 | 0 | 112 | G2413 E2414 V2419 M2420 | G2413-Q2416 PolarHBondContact O-N 3.36Å; E2414-Q2416 PolarHBondContact O-N 3.44Å; Q2416-V2419 PolarHBondContact O-N 3.03Å; Q2416-M2420 WeakPolarHBondContact O-CB 3.39Å; Q2416-M2420 PolarHBondContact O-N 3.14Å |
| 2417 | F | 73.7 | Confident | 67.2 | Low | 12 Ų | 12 | 67.9 Ų | 67.9 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 174.5 | 178.2 | -101.3 | 0 | 0 | 0 | 111.2 | L2399 A2402 K2403 G2413 E2414 V2419 M2420 V2421 | L2399-F2417 WeakPolarHBondContact O-CE2 3.25Å; A2402-F2417 HydrophobicContact CB-CD2 4.2Å; A2402-F2417 HydrophobicContact CB-CE2 4.2Å; K2403-F2417 HydrophobicContact CB-CD2 4.34Å; K2403-F2417 HydrophobicContact CB-CE1 4.16Å; K2403-F2417 HydrophobicContact CB-CE2 3.69Å; K2403-F2417 HydrophobicContact CB-CZ 3.58Å; K2403-F2417 HydrophobicContact CD-CE1 3.91Å; K2403-F2417 HydrophobicContact CD-CZ 3.96Å; K2403-F2417 HydrophobicContact CG-CE1 4.09Å; K2403-F2417 HydrophobicContact CG-CE2 4.48Å; K2403-F2417 HydrophobicContact CG-CZ 4.02Å; G2413-F2417 PolarHBondContact O-N 3.36Å; G2413-F2417 VanDerWaalsContact O-N 3.1Å; E2414-F2417 PolarHBondContact O-N 2.73Å; F2417-V2419 VanDerWaalsContact C-N 3.34Å; F2417-V2419 PolarHBondContact O-N 3.05Å; F2417-M2420 PolarHBondContact O-N 3.23Å; F2417-M2420 VanDerWaalsContact O-N 3.16Å; F2417-V2421 HydrophobicContact CD1-CG2 4.15Å; F2417-V2421 HydrophobicContact CD2-CG2 4.32Å; F2417-V2421 HydrophobicContact CE1-CG2 3.68Å; F2417-V2421 HydrophobicContact CE2-CG2 3.86Å; F2417-V2421 HydrophobicContact CG-CG2 4.45Å; F2417-V2421 HydrophobicContact CZ-CG2 3.5Å; F2417-V2421 WeakPolarHBondContact O-CG2 3.34Å; F2417-V2421 PolarHBondContact O-N 3.39Å |
| 2418 | N | 72.4 | Confident | 68.3 | Low | 79 Ų | 79 | 63 Ų | 63 | 42% | 0.422 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 179 | -70.9 | -14.6 | 0 | 0 | 0 | 112.6 | E2414 M2422 | E2414-N2418 WeakPolarHBondContact O-CB 3.43Å; E2414-N2418 VanDerWaalsContact O-CG 3.24Å; E2414-N2418 PolarHBondContact O-N 2.89Å; E2414-N2418 PolarHBondContact O-ND2 3.17Å; N2418-M2422 WeakPolarHBondContact O-CB 3.41Å; N2418-M2422 PolarHBondContact O-N 2.87Å |
| 2419 | V | 76.3 | Confident | 69.4 | Low | 99 Ų | 99 | 56.9 Ų | 56.9 | 60% | 0.6 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.8 | -45.5 | 174 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | S2415 Q2416 F2417 M2422 E2423 | S2415-V2419 VanDerWaalsContact O-CG2 3.3Å; S2415-V2419 WeakPolarHBondContact O-CG2 3.45Å; S2415-V2419 PolarHBondContact O-N 2.99Å; S2415-V2419 VanDerWaalsContact O-N 3.14Å; Q2416-V2419 PolarHBondContact O-N 3.03Å; F2417-V2419 VanDerWaalsContact C-N 3.34Å; F2417-V2419 PolarHBondContact O-N 3.05Å; V2419-M2422 PolarHBondContact O-N 2.8Å; V2419-E2423 PolarHBondContact O-N 3.49Å |
| 2420 | M | 75.7 | Confident | 70.9 | Confident | 50 Ų | 50 | 59 Ų | 59 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | -179.7 | -159.8 | -175.4 | -50 | 0 | 0 | 111.7 | L2372 Q2416 F2417 E2423 R2424 | L2372-M2420 HydrophobicContact CD1-SD 3.61Å; Q2416-M2420 WeakPolarHBondContact O-CB 3.39Å; Q2416-M2420 PolarHBondContact O-N 3.14Å; F2417-M2420 PolarHBondContact O-N 3.23Å; F2417-M2420 VanDerWaalsContact O-N 3.16Å; M2420-E2423 PolarHBondContact O-N 3.45Å; M2420-R2424 WeakPolarHBondContact O-CG 3.45Å; M2420-R2424 PolarHBondContact O-N 3.39Å |
| 2421 | V | 75.3 | Confident | 72.2 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.5 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | L2399 F2417 E2423 R2424 F2425 F2450 I2455 | L2399-V2421 HydrophobicContact CD2-CG2 4.03Å; F2417-V2421 HydrophobicContact CD1-CG2 4.15Å; F2417-V2421 HydrophobicContact CD2-CG2 4.32Å; F2417-V2421 HydrophobicContact CE1-CG2 3.68Å; F2417-V2421 HydrophobicContact CE2-CG2 3.86Å; F2417-V2421 HydrophobicContact CG-CG2 4.45Å; F2417-V2421 HydrophobicContact CZ-CG2 3.5Å; F2417-V2421 WeakPolarHBondContact O-CG2 3.34Å; F2417-V2421 PolarHBondContact O-N 3.39Å; V2421-E2423 VanDerWaalsContact C-N 3.33Å; V2421-E2423 PolarHBondContact O-N 3.07Å; V2421-R2424 PolarHBondContact O-N 3.45Å; V2421-F2425 WeakPolarHBondContact O-CB 3.33Å; V2421-F2425 PolarHBondContact O-N 3.01Å; V2421-F2450 HydrophobicContact CG1-CE1 3.93Å; V2421-F2450 HydrophobicContact CG1-CZ 4.39Å; V2421-I2455 HydrophobicContact CG1-CD1 3.39Å; V2421-I2455 HydrophobicContact CG1-CG1 4.03Å |
| 2422 | M | 78.2 | Confident | 73.1 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 22% | 0.217 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 179.8 | -170.6 | 61.4 | 67.8 | 0 | 0 | 112.5 | N2418 V2419 F2425 D2426 D2459 K2463 | N2418-M2422 WeakPolarHBondContact O-CB 3.41Å; N2418-M2422 PolarHBondContact O-N 2.87Å; V2419-M2422 PolarHBondContact O-N 2.8Å; M2422-F2425 PolarHBondContact O-N 3.21Å; M2422-F2425 HydrophobicContact SD-CD1 4.12Å; M2422-D2426 PolarHBondContact O-N 2.79Å; M2422-D2459 HydrophobicContact CE-CB 4.43Å; M2422-K2463 HydrophobicContact SD-CD 4.31Å |
| 2423 | E | 79 | Confident | 73.8 | Confident | 110 Ų | 110 | 47.3 Ų | 47.3 | 51% | 0.514 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.6 | -39.1 | 176.9 | -150.6 | -172.3 | -136.5 | 0 | 0 | 111.8 | V2419 M2420 V2421 M2427 | V2419-E2423 PolarHBondContact O-N 3.49Å; M2420-E2423 PolarHBondContact O-N 3.45Å; V2421-E2423 VanDerWaalsContact C-N 3.33Å; V2421-E2423 PolarHBondContact O-N 3.07Å; E2423-M2427 PolarHBondContact O-N 3.05Å |
| 2424 | R | 77.8 | Confident | 74.4 | Confident | 35 Ų | 35 | 54 Ų | 54 | 13% | 0.132 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.3 | -37.2 | 175.7 | -60.2 | -61.6 | 174.5 | -97.8 | -3 | 112.1 | M2395 M2420 V2421 D2426 M2427 I2428 | M2395-R2424 HydrophobicContact SD-CB 4.06Å; M2395-R2424 HydrophobicContact SD-CG 4.12Å; M2420-R2424 WeakPolarHBondContact O-CG 3.45Å; M2420-R2424 PolarHBondContact O-N 3.39Å; V2421-R2424 PolarHBondContact O-N 3.45Å; R2424-D2426 VanDerWaalsContact C-N 3.33Å; R2424-D2426 PolarHBondContact O-N 3.34Å; R2424-M2427 WeakPolarHBondContact O-CB 3.46Å; R2424-M2427 PolarHBondContact O-N 3.13Å; R2424-M2427 VanDerWaalsContact O-N 3.16Å; R2424-I2428 WeakPolarHBondContact O-CD1 3.33Å; R2424-I2428 VanDerWaalsContact O-CG1 3.3Å; R2424-I2428 WeakPolarHBondContact O-CG1 3.1Å; R2424-I2428 PolarHBondContact O-N 3.03Å |
| 2425 | F | 77.8 | Confident | 74.8 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 172.9 | -179 | -111.3 | 0 | 0 | 0 | 111.8 | V2421 M2422 M2427 I2428 L2429 C2447 L2451 V2460 L2464 | V2421-F2425 WeakPolarHBondContact O-CB 3.33Å; V2421-F2425 PolarHBondContact O-N 3.01Å; M2422-F2425 PolarHBondContact O-N 3.21Å; M2422-F2425 HydrophobicContact SD-CD1 4.12Å; F2425-M2427 VanDerWaalsContact C-N 3.29Å; F2425-M2427 PolarHBondContact O-N 3.14Å; F2425-I2428 PolarHBondContact O-N 3.43Å; F2425-L2429 HydrophobicContact CD1-CD1 3.87Å; F2425-L2429 HydrophobicContact CD1-CG 4.41Å; F2425-L2429 HydrophobicContact CE1-CD1 3.29Å; F2425-L2429 HydrophobicContact CE1-CD2 4.46Å; F2425-L2429 HydrophobicContact CE1-CG 3.97Å; F2425-L2429 HydrophobicContact CE2-CD1 4.34Å; F2425-L2429 HydrophobicContact CE2-CD2 4.19Å; F2425-L2429 HydrophobicContact CE2-CG 4.14Å; F2425-L2429 HydrophobicContact CZ-CD1 3.57Å; F2425-L2429 HydrophobicContact CZ-CD2 3.88Å; F2425-L2429 HydrophobicContact CZ-CG 3.82Å; F2425-L2429 WeakPolarHBondContact O-CG 3.49Å; F2425-L2429 PolarHBondContact O-N 2.93Å; F2425-C2447 WeakPolarHBondContact CD2-SG 3.46Å; F2425-C2447 WeakPolarHBondContact CE2-SG 3.39Å; F2425-L2451 HydrophobicContact CD2-CD1 4.19Å; F2425-L2451 HydrophobicContact CD2-CD2 3.74Å; F2425-L2451 HydrophobicContact CD2-CG 4.16Å; F2425-L2451 HydrophobicContact CE2-CD1 3.39Å; F2425-L2451 HydrophobicContact CE2-CD2 3.77Å; F2425-L2451 HydrophobicContact CE2-CG 3.85Å; F2425-L2451 HydrophobicContact CG-CD2 4.28Å; F2425-L2451 HydrophobicContact CZ-CD1 3.75Å; F2425-L2451 HydrophobicContact CZ-CD2 4.28Å; F2425-V2460 HydrophobicContact CD1-CG1 4.42Å; F2425-V2460 HydrophobicContact CE1-CG1 3.46Å; F2425-V2460 VanDerWaalsContact CE1-CG1 3.46Å; F2425-V2460 HydrophobicContact CE2-CG1 4.43Å; F2425-V2460 HydrophobicContact CZ-CG1 3.46Å; F2425-V2460 VanDerWaalsContact CZ-CG1 3.46Å; F2425-L2464 HydrophobicContact CZ-CD2 4.25Å; F2425-L2464 HydrophobicContact CZ-CG 4.5Å |
| 2426 | D | 78.7 | Confident | 74.4 | Confident | 46 Ų | 46 | 50 Ų | 50 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -36 | 175.8 | -124.6 | 10.9 | 0 | 0 | 0 | 113 | M2422 R2424 R2430 K2463 | M2422-D2426 PolarHBondContact O-N 2.79Å; R2424-D2426 VanDerWaalsContact C-N 3.33Å; R2424-D2426 PolarHBondContact O-N 3.34Å; D2426-R2430 WeakPolarHBondContact O-CB 3.45Å; D2426-R2430 WeakPolarHBondContact O-CG 3.33Å; D2426-R2430 PolarHBondContact O-N 3.1Å; D2426-R2430 PolarHBondContact O-NE 3.05Å; D2426-K2463 VanDerWaalsContact CG-CE 3.46Å; D2426-K2463 WeakPolarHBondContact OD1-CE 3.34Å; D2426-K2463 IonicContact OD1-NZ 3.84Å; D2426-K2463 PolarHBondContact OD1-NZ 3.19Å; D2426-K2463 WeakPolarHBondContact OD2-CE 3.27Å; D2426-K2463 IonicContact OD2-NZ 3.46Å; D2426-K2463 PolarHBondContact OD2-NZ 2.99Å |
| 2427 | M | 80.8 | Confident | 74 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.3 | -40.3 | 175.8 | -174.1 | 173.1 | 67.5 | 0 | 0 | 111.4 | A2376 F2379 M2395 E2423 R2424 F2425 R2430 Q2431 | A2376-M2427 HydrophobicContact CB-CE 3.75Å; A2376-M2427 HydrophobicContact CB-SD 3.7Å; F2379-M2427 HydrophobicContact CB-CE 3.96Å; F2379-M2427 HydrophobicContact CB-CG 4.15Å; F2379-M2427 HydrophobicContact CB-SD 3.92Å; F2379-M2427 HydrophobicContact CG-CE 4.27Å; M2395-M2427 HydrophobicContact SD-CE 3.97Å; E2423-M2427 PolarHBondContact O-N 3.05Å; R2424-M2427 WeakPolarHBondContact O-CB 3.46Å; R2424-M2427 PolarHBondContact O-N 3.13Å; R2424-M2427 VanDerWaalsContact O-N 3.16Å; F2425-M2427 VanDerWaalsContact C-N 3.29Å; F2425-M2427 PolarHBondContact O-N 3.14Å; M2427-R2430 PolarHBondContact O-N 3.44Å; M2427-Q2431 WeakPolarHBondContact O-CB 3.45Å; M2427-Q2431 PolarHBondContact O-N 2.99Å |
| 2428 | I | 78.4 | Confident | 73.3 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -45.5 | 175.9 | -62.9 | 154.2 | 0 | 0 | 0 | 110.4 | F2379 F2392 M2395 R2424 F2425 R2430 Q2431 I2432 L2443 C2447 | F2379-I2428 HydrophobicContact CE1-CG1 4.48Å; F2392-I2428 HydrophobicContact CD2-CD1 4.43Å; F2392-I2428 HydrophobicContact CD2-CG1 4.48Å; F2392-I2428 HydrophobicContact CE2-CD1 3.66Å; F2392-I2428 HydrophobicContact CE2-CG1 4.05Å; M2395-I2428 HydrophobicContact CE-CD1 3.83Å; M2395-I2428 HydrophobicContact CE-CG1 4.01Å; R2424-I2428 WeakPolarHBondContact O-CD1 3.33Å; R2424-I2428 VanDerWaalsContact O-CG1 3.3Å; R2424-I2428 WeakPolarHBondContact O-CG1 3.1Å; R2424-I2428 PolarHBondContact O-N 3.03Å; F2425-I2428 PolarHBondContact O-N 3.43Å; I2428-R2430 PolarHBondContact O-N 3.02Å; I2428-Q2431 CarbonylContact O-C 3.44Å; I2428-Q2431 WeakPolarHBondContact O-CA 3.34Å; I2428-Q2431 PolarHBondContact O-N 3.12Å; I2428-I2432 HydrophobicContact CG2-CD1 4.01Å; I2428-I2432 HydrophobicContact CG2-CG1 4.37Å; I2428-I2432 WeakPolarHBondContact O-CG1 3.49Å; I2428-I2432 PolarHBondContact O-N 3.39Å; I2428-L2443 HydrophobicContact CG2-CD2 4.35Å; I2428-C2447 HydrophobicContact CG2-CB 4.21Å |
| 2429 | L | 77.3 | Confident | 72.9 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.3 | -69.7 | 177.2 | 0 | 0 | 0 | 112.2 | F2425 Q2431 I2432 S2433 L2464 E2467 F2479 | F2425-L2429 HydrophobicContact CD1-CD1 3.87Å; F2425-L2429 HydrophobicContact CD1-CG 4.41Å; F2425-L2429 HydrophobicContact CE1-CD1 3.29Å; F2425-L2429 HydrophobicContact CE1-CD2 4.46Å; F2425-L2429 HydrophobicContact CE1-CG 3.97Å; F2425-L2429 HydrophobicContact CE2-CD1 4.34Å; F2425-L2429 HydrophobicContact CE2-CD2 4.19Å; F2425-L2429 HydrophobicContact CE2-CG 4.14Å; F2425-L2429 HydrophobicContact CZ-CD1 3.57Å; F2425-L2429 HydrophobicContact CZ-CD2 3.88Å; F2425-L2429 HydrophobicContact CZ-CG 3.82Å; F2425-L2429 WeakPolarHBondContact O-CG 3.49Å; F2425-L2429 PolarHBondContact O-N 2.93Å; L2429-Q2431 PolarHBondContact O-N 3.48Å; L2429-I2432 PolarHBondContact O-N 3Å; L2429-S2433 PolarHBondContact O-N 3.04Å; L2429-S2433 VanDerWaalsContact O-N 3.13Å; L2429-S2433 PolarHBondContact O-OG 2.73Å; L2429-L2464 HydrophobicContact CD2-CD2 3.94Å; L2429-E2467 HydrophobicContact CD1-CG 4.33Å; L2429-F2479 HydrophobicContact CD2-CD1 4.26Å; L2429-F2479 HydrophobicContact CD2-CE1 3.78Å |
| 2430 | R | 77.9 | Confident | 72.6 | Confident | 102 Ų | 102 | 36.2 Ų | 36.2 | 39% | 0.385 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.2 | -28 | 172.5 | -83.9 | -173.5 | -75.5 | 144.9 | -7.2 | 113 | D2426 M2427 I2428 S2433 R2434 | D2426-R2430 WeakPolarHBondContact O-CB 3.45Å; D2426-R2430 WeakPolarHBondContact O-CG 3.33Å; D2426-R2430 PolarHBondContact O-N 3.1Å; D2426-R2430 PolarHBondContact O-NE 3.05Å; M2427-R2430 PolarHBondContact O-N 3.44Å; I2428-R2430 PolarHBondContact O-N 3.02Å; R2430-S2433 WeakPolarHBondContact CA-OG 3.26Å; R2430-S2433 PolarHBondContact O-OG 2.85Å; R2430-R2434 WeakPolarHBondContact O-CG 3.49Å |
| 2431 | Q | 75.1 | Confident | 72.3 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -82.3 | -41.3 | 177.9 | -154 | 46 | -93.3 | 0 | 0 | 111.2 | F2379 M2388 M2427 I2428 L2429 S2433 R2434 I2435 | F2379-Q2431 HydrophobicContact CD1-CB 3.94Å; F2379-Q2431 HydrophobicContact CD1-CG 3.83Å; F2379-Q2431 HydrophobicContact CE1-CB 4.33Å; F2379-Q2431 HydrophobicContact CE1-CG 4.27Å; F2379-Q2431 PolarHBondContact O-NE2 3.49Å; M2388-Q2431 HydrophobicContact CE-CG 4Å; M2388-Q2431 HydrophobicContact SD-CG 3.84Å; M2427-Q2431 WeakPolarHBondContact O-CB 3.45Å; M2427-Q2431 PolarHBondContact O-N 2.99Å; I2428-Q2431 CarbonylContact O-C 3.44Å; I2428-Q2431 WeakPolarHBondContact O-CA 3.34Å; I2428-Q2431 PolarHBondContact O-N 3.12Å; L2429-Q2431 PolarHBondContact O-N 3.48Å; Q2431-S2433 PolarHBondContact O-N 3.28Å; Q2431-S2433 VanDerWaalsContact O-N 3.09Å; Q2431-R2434 WeakPolarHBondContact O-CA 3.2Å; Q2431-R2434 PolarHBondContact O-N 2.9Å; Q2431-I2435 HydrophobicContact CG-CD1 4.36Å; Q2431-I2435 HydrophobicContact CG-CG1 4.28Å; Q2431-I2435 WeakPolarHBondContact O-CG1 3.37Å; Q2431-I2435 PolarHBondContact O-N 3.34Å; Q2431-I2435 VanDerWaalsContact O-N 3.1Å |
| 2432 | I | 72.4 | Confident | 71.9 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -50.8 | -36.5 | 169.5 | -69.5 | 169.2 | 0 | 0 | 0 | 110.7 | I2428 L2429 R2434 A2440 L2443 A2444 R2475 F2479 | I2428-I2432 HydrophobicContact CG2-CD1 4.01Å; I2428-I2432 HydrophobicContact CG2-CG1 4.37Å; I2428-I2432 WeakPolarHBondContact O-CG1 3.49Å; I2428-I2432 PolarHBondContact O-N 3.39Å; L2429-I2432 PolarHBondContact O-N 3Å; I2432-R2434 VanDerWaalsContact C-N 3.27Å; I2432-R2434 PolarHBondContact O-N 3.42Å; I2432-A2440 HydrophobicContact CG2-CB 4.18Å; I2432-L2443 HydrophobicContact CG1-CB 4.32Å; I2432-A2444 HydrophobicContact CD1-CB 4.25Å; I2432-R2475 VanDerWaalsContact O-CD 3.23Å; I2432-R2475 WeakPolarHBondContact O-CD 3.44Å; I2432-R2475 PolarHBondContact O-NE 2.95Å; I2432-F2479 HydrophobicContact CB-CE1 4.27Å; I2432-F2479 HydrophobicContact CB-CZ 4.04Å; I2432-F2479 HydrophobicContact CG2-CE1 3.76Å; I2432-F2479 HydrophobicContact CG2-CE2 4.07Å; I2432-F2479 HydrophobicContact CG2-CZ 3.49Å; I2432-F2479 VanDerWaalsContact CG2-CZ 3.49Å |
| 2433 | S | 71.1 | Confident | 71.7 | Confident | 38 Ų | 38 | 34.5 Ų | 34.5 | 27% | 0.266 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 8.6 | 174.3 | 64.9 | 0 | 0 | 0 | 0 | 116.2 | L2429 R2430 Q2431 R2475 | L2429-S2433 PolarHBondContact O-N 3.04Å; L2429-S2433 VanDerWaalsContact O-N 3.13Å; L2429-S2433 PolarHBondContact O-OG 2.73Å; R2430-S2433 WeakPolarHBondContact CA-OG 3.26Å; R2430-S2433 PolarHBondContact O-OG 2.85Å; Q2431-S2433 PolarHBondContact O-N 3.28Å; Q2431-S2433 VanDerWaalsContact O-N 3.09Å; S2433-R2475 VanDerWaalsContact C-NH1 3.29Å; S2433-R2475 PolarHBondContact O-NH1 2.9Å; S2433-R2475 PolarHBondContact O-NH2 3.46Å |
| 2434 | R | 69.3 | Low | 71.4 | Confident | 155 Ų | 155 | 29.5 Ų | 29.5 | 59% | 0.585 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | -26.8 | 179.2 | -74.5 | 175.6 | -176.2 | -175.4 | 1.4 | 114.4 | R2430 Q2431 I2432 R2475 | R2430-R2434 WeakPolarHBondContact O-CG 3.49Å; Q2431-R2434 WeakPolarHBondContact O-CA 3.2Å; Q2431-R2434 PolarHBondContact O-N 2.9Å; I2432-R2434 VanDerWaalsContact C-N 3.27Å; I2432-R2434 PolarHBondContact O-N 3.42Å; R2434-R2475 VanDerWaalsContact CA-NH2 3.32Å; R2434-R2475 PolarHBondContact O-NH2 3.12Å |
| 2435 | I | 67.1 | Low | 71.2 | Confident | 19 Ų | 19 | 30 Ų | 30 | 10% | 0.097 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -81.8 | 175.5 | -180 | 8.3 | 166.4 | 0 | 0 | 0 | 114.7 | M2388 Q2431 E2439 L2443 R2475 | M2388-I2435 HydrophobicContact CE-CB 4.29Å; M2388-I2435 HydrophobicContact CE-CD1 3.79Å; M2388-I2435 HydrophobicContact CE-CG1 4.07Å; M2388-I2435 HydrophobicContact CE-CG2 3.3Å; M2388-I2435 HydrophobicContact SD-CD1 3.66Å; M2388-I2435 HydrophobicContact SD-CG1 4.49Å; Q2431-I2435 HydrophobicContact CG-CD1 4.36Å; Q2431-I2435 HydrophobicContact CG-CG1 4.28Å; Q2431-I2435 WeakPolarHBondContact O-CG1 3.37Å; Q2431-I2435 PolarHBondContact O-N 3.34Å; Q2431-I2435 VanDerWaalsContact O-N 3.1Å; I2435-E2439 HydrophobicContact CB-CB 4.47Å; I2435-E2439 HydrophobicContact CG2-CB 4.41Å; I2435-E2439 WeakPolarHBondContact CG2-OE2 3.41Å; I2435-L2443 HydrophobicContact CD1-CD1 3.28Å; I2435-R2475 PolarHBondContact O-NH2 3.15Å |
| 2436 | R | 58.8 | Low | 70.9 | Confident | 81 Ų | 81 | 29.9 Ų | 29.9 | 31% | 0.306 | 14% | 0.137 | S | C | . | . | trans | -64.2 | 152 | 172.2 | -59.7 | -171.7 | -178.2 | 120.8 | -4.7 | 111.2 | S2385 S2438 E2439 A2440 | S2385-R2436 PolarHBondContact OG-NH1 3.08Å; R2436-S2438 PolarHBondContact O-N 3.09Å; R2436-E2439 HydrophobicContact CB-CB 4.34Å; R2436-E2439 HydrophobicContact CB-CG 4.2Å; R2436-E2439 WeakPolarHBondContact CD-OE1 3.2Å; R2436-E2439 IonicContact CZ-OE1 2.92Å; R2436-E2439 IonicContact NE-OE1 3.25Å; R2436-E2439 IonicContact NH1-OE1 2.71Å; R2436-E2439 PolarHBondContact NH1-OE1 3.36Å; R2436-E2439 PolarHBondContact O-N 2.96Å; R2436-A2440 WeakPolarHBondContact O-CB 3.33Å; R2436-A2440 PolarHBondContact O-N 3.06Å | ||
| 2437 | T | 60.3 | Low | 70.7 | Confident | 17 Ų | 17 | 27.7 Ų | 27.7 | 10% | 0.104 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | -179.3 | 16.9 | 0 | 0 | 0 | 0 | 113.9 | N1649 E2439 A2440 N2441 I2478 | N1649-T2437 WeakPolarHBondContact ND2-CG2 3.46Å; N1649-T2437 PolarHBondContact ND2-OG1 2.92Å; N1649-T2437 PolarHBondContact OD1-OG1 2.86Å; T2437-E2439 VanDerWaalsContact C-N 3.32Å; T2437-E2439 PolarHBondContact O-N 3.45Å; T2437-A2440 PolarHBondContact O-N 3.15Å; T2437-N2441 WeakPolarHBondContact O-CB 3.47Å; T2437-N2441 PolarHBondContact O-N 3.48Å; T2437-I2478 HydrophobicContact CG2-CD1 3.94Å |
| 2438 | S | 58.9 | Low | 70.2 | Confident | 20 Ų | 20 | 27.1 Ų | 27.1 | 14% | 0.14 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 178 | 60 | 0 | 0 | 0 | 0 | 111.9 | N2053 N2054 R2436 A2442 | N2053-S2438 VanDerWaalsContact O-CB 3.23Å; N2053-S2438 WeakPolarHBondContact O-CB 3.46Å; N2054-S2438 WeakPolarHBondContact OD1-CB 3.35Å; N2054-S2438 PolarHBondContact OD1-OG 3.44Å; R2436-S2438 PolarHBondContact O-N 3.09Å; S2438-A2442 PolarHBondContact O-N 3.49Å; S2438-A2442 VanDerWaalsContact O-N 3.17Å |
| 2439 | E | 65.2 | Low | 69.8 | Low | 5 Ų | 5 | 29.5 Ų | 29.5 | 2% | 0.023 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -74.3 | -39.1 | 179.6 | -63.8 | 170.5 | -167.2 | 0 | 0 | 111.8 | S2385 F2389 I2435 R2436 T2437 A2442 L2443 | S2385-E2439 WeakPolarHBondContact CB-OE1 3.45Å; S2385-E2439 WeakPolarHBondContact CB-OE2 3.35Å; S2385-E2439 PolarHBondContact OG-OE1 3.33Å; S2385-E2439 PolarHBondContact OG-OE2 3.5Å; F2389-E2439 HydrophobicContact CE2-CB 4.33Å; F2389-E2439 HydrophobicContact CE2-CG 4.05Å; F2389-E2439 HydrophobicContact CZ-CB 3.67Å; F2389-E2439 HydrophobicContact CZ-CG 3.88Å; I2435-E2439 HydrophobicContact CB-CB 4.47Å; I2435-E2439 HydrophobicContact CG2-CB 4.41Å; I2435-E2439 WeakPolarHBondContact CG2-OE2 3.41Å; R2436-E2439 HydrophobicContact CB-CB 4.34Å; R2436-E2439 HydrophobicContact CB-CG 4.2Å; R2436-E2439 WeakPolarHBondContact CD-OE1 3.2Å; R2436-E2439 IonicContact CZ-OE1 2.92Å; R2436-E2439 IonicContact NE-OE1 3.25Å; R2436-E2439 IonicContact NH1-OE1 2.71Å; R2436-E2439 PolarHBondContact NH1-OE1 3.36Å; R2436-E2439 PolarHBondContact O-N 2.96Å; T2437-E2439 VanDerWaalsContact C-N 3.32Å; T2437-E2439 PolarHBondContact O-N 3.45Å; E2439-A2442 PolarHBondContact O-N 3.01Å; E2439-L2443 WeakPolarHBondContact O-CB 3.29Å; E2439-L2443 PolarHBondContact O-N 2.98Å |
| 2440 | A | 70.2 | Confident | 69.4 | Low | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I2432 R2436 T2437 L2443 A2444 I2478 | I2432-A2440 HydrophobicContact CG2-CB 4.18Å; R2436-A2440 WeakPolarHBondContact O-CB 3.33Å; R2436-A2440 PolarHBondContact O-N 3.06Å; T2437-A2440 PolarHBondContact O-N 3.15Å; A2440-L2443 PolarHBondContact O-N 2.89Å; A2440-A2444 WeakPolarHBondContact O-CB 3.36Å; A2440-A2444 PolarHBondContact O-N 3.48Å; A2440-I2478 HydrophobicContact CB-CD1 3.92Å |
| 2441 | N | 68.2 | Low | 69 | Low | 59 Ų | 59 | 25.5 Ų | 25.5 | 32% | 0.316 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 173.1 | -91.4 | -12.7 | 0 | 0 | 0 | 111.9 | T2437 A2444 F2445 I2478 | T2437-N2441 WeakPolarHBondContact O-CB 3.47Å; T2437-N2441 PolarHBondContact O-N 3.48Å; N2441-A2444 PolarHBondContact O-N 3.44Å; N2441-F2445 WeakPolarHBondContact O-CB 3.31Å; N2441-F2445 PolarHBondContact O-N 3.37Å; N2441-I2478 WeakPolarHBondContact OD1-CD1 3.45Å; N2441-I2478 VanDerWaalsContact OD1-CG1 3.28Å; N2441-I2478 WeakPolarHBondContact OD1-CG1 3.34Å |
| 2442 | A | 67.2 | Low | 68.4 | Low | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | F2046 I2050 F2389 S2438 E2439 F2445 G2446 | F2046-A2442 WeakPolarHBondContact CE2-O 3.47Å; I2050-A2442 HydrophobicContact CG1-CB 3.88Å; F2389-A2442 HydrophobicContact CE1-CB 4.14Å; F2389-A2442 HydrophobicContact CZ-CB 4.35Å; S2438-A2442 PolarHBondContact O-N 3.49Å; S2438-A2442 VanDerWaalsContact O-N 3.17Å; E2439-A2442 PolarHBondContact O-N 3.01Å; A2442-F2445 PolarHBondContact O-N 3.28Å; A2442-G2446 PolarHBondContact O-N 3.24Å |
| 2443 | L | 74.6 | Confident | 68 | Low | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -38.4 | 175.2 | -94.6 | 151.8 | 0 | 0 | 0 | 113.4 | F2046 F2379 M2388 F2389 F2392 I2428 I2432 I2435 E2439 A2440 G2446 C2447 | F2046-L2443 HydrophobicContact CZ-CD2 4.43Å; F2046-L2443 HydrophobicContact CZ-CG 4.41Å; F2379-L2443 HydrophobicContact CE1-CD2 4.22Å; F2379-L2443 HydrophobicContact CZ-CD2 4.11Å; M2388-L2443 HydrophobicContact CG-CD1 4.39Å; M2388-L2443 HydrophobicContact SD-CD1 3.21Å; M2388-L2443 WeakPolarHBondContact SD-CD1 3.5Å; F2389-L2443 HydrophobicContact CD1-CD1 4.25Å; F2389-L2443 HydrophobicContact CD1-CG 4.22Å; F2389-L2443 HydrophobicContact CE1-CD1 3.76Å; F2389-L2443 HydrophobicContact CE1-CG 3.84Å; F2392-L2443 HydrophobicContact CB-CD2 4.49Å; F2392-L2443 HydrophobicContact CD1-CD2 4.26Å; F2392-L2443 HydrophobicContact CD2-CD2 3.69Å; F2392-L2443 HydrophobicContact CE1-CD2 4.42Å; F2392-L2443 HydrophobicContact CE2-CD2 3.9Å; F2392-L2443 HydrophobicContact CG-CD2 3.89Å; F2392-L2443 HydrophobicContact CZ-CD2 4.26Å; I2428-L2443 HydrophobicContact CG2-CD2 4.35Å; I2432-L2443 HydrophobicContact CG1-CB 4.32Å; I2435-L2443 HydrophobicContact CD1-CD1 3.28Å; E2439-L2443 WeakPolarHBondContact O-CB 3.29Å; E2439-L2443 PolarHBondContact O-N 2.98Å; A2440-L2443 PolarHBondContact O-N 2.89Å; L2443-G2446 PolarHBondContact O-N 2.85Å; L2443-C2447 VanDerWaalsContact O-CB 3.23Å; L2443-C2447 WeakPolarHBondContact O-CB 3.39Å; L2443-C2447 PolarHBondContact O-N 3.25Å |
| 2444 | A | 73.2 | Confident | 67.7 | Low | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | I2432 A2440 N2441 G2446 C2447 S2448 I2478 L2482 | I2432-A2444 HydrophobicContact CD1-CB 4.25Å; A2440-A2444 WeakPolarHBondContact O-CB 3.36Å; A2440-A2444 PolarHBondContact O-N 3.48Å; N2441-A2444 PolarHBondContact O-N 3.44Å; A2444-G2446 PolarHBondContact O-N 3.41Å; A2444-C2447 PolarHBondContact O-N 3.08Å; A2444-S2448 PolarHBondContact O-N 3Å; A2444-I2478 HydrophobicContact CB-CG2 3.53Å; A2444-L2482 VanDerWaalsContact CA-CD1 3.48Å; A2444-L2482 HydrophobicContact CB-CD1 3.45Å; A2444-L2482 VanDerWaalsContact CB-CD1 3.45Å; A2444-L2482 WeakPolarHBondContact O-CD1 3.48Å |
| 2445 | F | 73.1 | Confident | 67.6 | Low | 46 Ų | 46 | 25.4 Ų | 25.4 | 20% | 0.202 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.2 | -48.6 | 173.8 | 177.5 | -96.7 | 0 | 0 | 0 | 111.8 | E2049 N2441 A2442 C2447 S2448 W2449 | E2049-F2445 HydrophobicContact CB-CD1 3.82Å; E2049-F2445 HydrophobicContact CB-CE1 4.19Å; E2049-F2445 HydrophobicContact CB-CG 4.45Å; E2049-F2445 HydrophobicContact CG-CB 3.84Å; E2049-F2445 HydrophobicContact CG-CD1 3.47Å; E2049-F2445 VanDerWaalsContact CG-CD1 3.47Å; E2049-F2445 HydrophobicContact CG-CD2 4.32Å; E2049-F2445 HydrophobicContact CG-CE1 4.08Å; E2049-F2445 HydrophobicContact CG-CG 3.61Å; E2049-F2445 WeakPolarHBondContact OE2-CE1 3.28Å; E2049-F2445 WeakPolarHBondContact OE2-CZ 3.3Å; N2441-F2445 WeakPolarHBondContact O-CB 3.31Å; N2441-F2445 PolarHBondContact O-N 3.37Å; A2442-F2445 PolarHBondContact O-N 3.28Å; F2445-C2447 VanDerWaalsContact C-N 3.31Å; F2445-C2447 PolarHBondContact O-N 3.29Å; F2445-S2448 PolarHBondContact O-N 3.34Å; F2445-W2449 PolarHBondContact O-N 2.91Å |
| 2446 | G | 70.3 | Confident | 67.6 | Low | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.7 | -37.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F2042 A2442 L2443 A2444 F2450 | F2042-G2446 WeakPolarHBondContact CE2-O 3.43Å; F2042-G2446 VanDerWaalsContact CZ-CA 3.46Å; F2042-G2446 VanDerWaalsContact CZ-O 3.28Å; F2042-G2446 WeakPolarHBondContact CZ-O 3.42Å; A2442-G2446 PolarHBondContact O-N 3.24Å; L2443-G2446 PolarHBondContact O-N 2.85Å; A2444-G2446 PolarHBondContact O-N 3.41Å; G2446-F2450 PolarHBondContact O-N 3.47Å |
| 2447 | C | 74.9 | Confident | 67.9 | Low | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.2 | -40.2 | 177.1 | -152 | 0 | 0 | 0 | 0 | 111.7 | F2425 I2428 L2443 A2444 F2445 F2450 L2451 | F2425-C2447 WeakPolarHBondContact CD2-SG 3.46Å; F2425-C2447 WeakPolarHBondContact CE2-SG 3.39Å; I2428-C2447 HydrophobicContact CG2-CB 4.21Å; L2443-C2447 VanDerWaalsContact O-CB 3.23Å; L2443-C2447 WeakPolarHBondContact O-CB 3.39Å; L2443-C2447 PolarHBondContact O-N 3.25Å; A2444-C2447 PolarHBondContact O-N 3.08Å; F2445-C2447 VanDerWaalsContact C-N 3.31Å; F2445-C2447 PolarHBondContact O-N 3.29Å; C2447-F2450 PolarHBondContact O-N 2.82Å; C2447-L2451 WeakPolarHBondContact O-CB 3.43Å; C2447-L2451 VanDerWaalsContact O-CG 3.26Å; C2447-L2451 WeakPolarHBondContact O-CG 3.36Å; C2447-L2451 PolarHBondContact O-N 3.5Å |
| 2448 | S | 71.3 | Confident | 68.3 | Low | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.7 | -50.2 | 175.7 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | A2444 F2445 F2450 L2451 E2452 | A2444-S2448 PolarHBondContact O-N 3Å; F2445-S2448 PolarHBondContact O-N 3.34Å; S2448-F2450 VanDerWaalsContact C-N 3.34Å; S2448-F2450 PolarHBondContact O-N 2.9Å; S2448-L2451 PolarHBondContact O-N 3.15Å; S2448-E2452 VanDerWaalsContact O-CG 3.27Å; S2448-E2452 WeakPolarHBondContact O-CG 3.32Å; S2448-E2452 PolarHBondContact O-N 2.98Å |
| 2449 | W | 69.1 | Low | 68.9 | Low | 55 Ų | 55 | 33.6 Ų | 33.6 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.4 | -37 | -178.3 | -149.5 | 89.4 | 0 | 0 | 0 | 112.2 | F2042 L2045 F2445 E2452 | F2042-W2449 HydrophobicContact CB-CE3 3.88Å; F2042-W2449 HydrophobicContact CB-CH2 4.1Å; F2042-W2449 HydrophobicContact CB-CZ3 3.56Å; F2042-W2449 HydrophobicContact CD2-CB 3.89Å; F2042-W2449 AromaticContact CD2-CD2 3.51Å; F2042-W2449 HydrophobicContact CD2-CD2 3.51Å; F2042-W2449 AromaticContact CD2-CE3 3.15Å; F2042-W2449 HydrophobicContact CD2-CE3 3.15Å; F2042-W2449 AromaticContact CD2-CG 3.88Å; F2042-W2449 HydrophobicContact CD2-CG 3.88Å; F2042-W2449 AromaticContact CD2-CZ3 3.8Å; F2042-W2449 HydrophobicContact CD2-CZ3 3.8Å; F2042-W2449 HydrophobicContact CE2-CB 3.55Å; F2042-W2449 HydrophobicContact CE2-CD2 4.15Å; F2042-W2449 HydrophobicContact CE2-CE3 4.01Å; F2042-W2449 HydrophobicContact CE2-CG 4.04Å; F2042-W2449 HydrophobicContact CG-CD2 4.5Å; F2042-W2449 AromaticContact CG-CE3 3.81Å; F2042-W2449 HydrophobicContact CG-CE3 3.81Å; F2042-W2449 HydrophobicContact CG-CZ3 4.02Å; L2045-W2449 HydrophobicContact CD1-CZ2 4.22Å; F2445-W2449 PolarHBondContact O-N 2.91Å; W2449-E2452 WeakPolarHBondContact O-CB 3.16Å; W2449-E2452 PolarHBondContact O-N 3.32Å |
| 2450 | F | 69.1 | Low | 69.5 | Low | 11 Ų | 11 | 33.5 Ų | 33.5 | 5% | 0.048 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.6 | -38.9 | 176 | 179.7 | -110.4 | 0 | 0 | 0 | 112.7 | L2396 L2399 Y2400 V2421 G2446 C2447 S2448 E2452 H2454 | L2396-F2450 HydrophobicContact CD2-CB 4.08Å; L2396-F2450 HydrophobicContact CD2-CD1 4.31Å; L2396-F2450 HydrophobicContact CD2-CD2 3.21Å; L2396-F2450 HydrophobicContact CD2-CE2 3.62Å; L2396-F2450 HydrophobicContact CD2-CG 3.6Å; L2396-F2450 HydrophobicContact CD2-CZ 4.32Å; L2399-F2450 HydrophobicContact CB-CZ 4.2Å; L2399-F2450 HydrophobicContact CD1-CE1 4.25Å; L2399-F2450 HydrophobicContact CD1-CZ 3.87Å; Y2400-F2450 HydrophobicContact CD2-CE2 4.45Å; Y2400-F2450 AromaticContact CE2-CD2 3.93Å; Y2400-F2450 HydrophobicContact CE2-CD2 3.93Å; Y2400-F2450 AromaticContact CE2-CE2 3.97Å; Y2400-F2450 HydrophobicContact CE2-CE2 3.97Å; V2421-F2450 HydrophobicContact CG1-CE1 3.93Å; V2421-F2450 HydrophobicContact CG1-CZ 4.39Å; G2446-F2450 PolarHBondContact O-N 3.47Å; C2447-F2450 PolarHBondContact O-N 2.82Å; S2448-F2450 VanDerWaalsContact C-N 3.34Å; S2448-F2450 PolarHBondContact O-N 2.9Å; F2450-E2452 VanDerWaalsContact C-N 3.27Å; F2450-E2452 PolarHBondContact O-N 2.95Å; F2450-H2454 AromaticContact CD2-CD2 3.78Å; F2450-H2454 AromaticContact CE2-CD2 3.65Å; F2450-H2454 AromaticContact CE2-NE2 3.98Å; F2450-H2454 PolarHBondContact O-CD2 3.4Å |
| 2451 | L | 68.8 | Low | 69.7 | Low | 9 Ų | 9 | 33.6 Ų | 33.6 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -34.6 | 174.6 | -73.4 | 174.7 | 0 | 0 | 0 | 112.3 | F2425 C2447 S2448 E2453 I2455 V2460 L2482 | F2425-L2451 HydrophobicContact CD2-CD1 4.19Å; F2425-L2451 HydrophobicContact CD2-CD2 3.74Å; F2425-L2451 HydrophobicContact CD2-CG 4.16Å; F2425-L2451 HydrophobicContact CE2-CD1 3.39Å; F2425-L2451 HydrophobicContact CE2-CD2 3.77Å; F2425-L2451 HydrophobicContact CE2-CG 3.85Å; F2425-L2451 HydrophobicContact CG-CD2 4.28Å; F2425-L2451 HydrophobicContact CZ-CD1 3.75Å; F2425-L2451 HydrophobicContact CZ-CD2 4.28Å; C2447-L2451 WeakPolarHBondContact O-CB 3.43Å; C2447-L2451 VanDerWaalsContact O-CG 3.26Å; C2447-L2451 WeakPolarHBondContact O-CG 3.36Å; C2447-L2451 PolarHBondContact O-N 3.5Å; S2448-L2451 PolarHBondContact O-N 3.15Å; L2451-E2453 VanDerWaalsContact C-N 3.28Å; L2451-E2453 PolarHBondContact O-N 3.3Å; L2451-I2455 HydrophobicContact CD2-CD1 3.55Å; L2451-I2455 HydrophobicContact CD2-CG1 4.39Å; L2451-I2455 PolarHBondContact O-N 3.48Å; L2451-V2460 HydrophobicContact CD1-CG1 4Å; L2451-V2460 HydrophobicContact CD2-CG1 4.33Å; L2451-V2460 HydrophobicContact CD2-CG2 4.13Å; L2451-L2482 HydrophobicContact CD1-CD2 4.42Å |
| 2452 | E | 64.2 | Low | 70.1 | Confident | 68 Ų | 68 | 35.2 Ų | 35.2 | 32% | 0.318 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.6 | -25.6 | -177.3 | -84.2 | 178.6 | -163.2 | 0 | 0 | 114.7 | S2448 W2449 F2450 K2489 | S2448-E2452 VanDerWaalsContact O-CG 3.27Å; S2448-E2452 WeakPolarHBondContact O-CG 3.32Å; S2448-E2452 PolarHBondContact O-N 2.98Å; W2449-E2452 WeakPolarHBondContact O-CB 3.16Å; W2449-E2452 PolarHBondContact O-N 3.32Å; F2450-E2452 VanDerWaalsContact C-N 3.27Å; F2450-E2452 PolarHBondContact O-N 2.95Å; E2452-K2489 HydrophobicContact CB-CD 4.29Å; E2452-K2489 VanDerWaalsContact CD-NZ 3.32Å; E2452-K2489 HydrophobicContact CG-CD 3.57Å; E2452-K2489 WeakPolarHBondContact OE2-CE 3.38Å; E2452-K2489 IonicContact OE2-NZ 2.92Å; E2452-K2489 PolarHBondContact OE2-NZ 3Å |
| 2453 | E | 64 | Low | 70.7 | Confident | 85 Ų | 85 | 38.2 Ų | 38.2 | 40% | 0.397 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -103 | -16.4 | -177.4 | -76.6 | -165.8 | 155.2 | 0 | 0 | 114.6 | Y2400 L2451 | Y2400-E2453 PolarHBondContact OH-OE2 3.14Å; L2451-E2453 VanDerWaalsContact C-N 3.28Å; L2451-E2453 PolarHBondContact O-N 3.3Å |
| 2454 | H | 63.9 | Low | 70.8 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 11% | 0.106 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -126.7 | -17.6 | -164.1 | -64.9 | -84.3 | 0 | 0 | 0 | 116.7 | Y2400 K2403 F2450 | Y2400-H2454 AromaticContact CD1-CE1 3.84Å; Y2400-H2454 AromaticContact CD1-NE2 3.78Å; Y2400-H2454 AromaticContact CE1-CE1 3.51Å; Y2400-H2454 AromaticContact CE1-NE2 3.03Å; Y2400-H2454 WeakPolarHBondContact CE1-NE2 3.4Å; Y2400-H2454 AromaticContact CZ-NE2 3.24Å; Y2400-H2454 PolarHBondContact OH-NE2 3.23Å; K2403-H2454 VanDerWaalsContact CD-CE1 3.49Å; K2403-H2454 WeakPolarHBondContact CD-CE1 3.4Å; K2403-H2454 WeakPolarHBondContact CD-ND1 3.5Å; K2403-H2454 PolarHBondContact NZ-ND1 2.86Å; F2450-H2454 AromaticContact CD2-CD2 3.78Å; F2450-H2454 AromaticContact CE2-CD2 3.65Å; F2450-H2454 AromaticContact CE2-NE2 3.98Å; F2450-H2454 PolarHBondContact O-CD2 3.4Å |
| 2455 | I | 66.9 | Low | 71.1 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -132.6 | 142.2 | -173.2 | -49.2 | 179.6 | 0 | 0 | 0 | 111 | V2421 L2451 D2459 V2460 | V2421-I2455 HydrophobicContact CG1-CD1 3.39Å; V2421-I2455 HydrophobicContact CG1-CG1 4.03Å; L2451-I2455 HydrophobicContact CD2-CD1 3.55Å; L2451-I2455 HydrophobicContact CD2-CG1 4.39Å; L2451-I2455 PolarHBondContact O-N 3.48Å; I2455-D2459 HydrophobicContact CG2-CB 4.14Å; I2455-V2460 HydrophobicContact CB-CG2 4.39Å; I2455-V2460 HydrophobicContact CG2-CG2 3.77Å |
| 2456 | Q | 67.1 | Low | 71.5 | Confident | 135 Ų | 135 | 41.5 Ų | 41.5 | 63% | 0.631 | 21% | 0.205 | S | C | * | . | trans | -62.3 | 129.4 | 171.6 | -74.9 | -88.6 | -15.4 | 0 | 0 | 110.1 | S2458 D2459 | Q2456-S2458 PolarHBondContact O-N 3.1Å; Q2456-D2459 PolarHBondContact O-N 3.2Å | ||
| 2457 | P | 64.6 | Low | 72 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -29.7 | -177.2 | -25.7 | 32.5 | 0 | 0 | 0 | 114.2 | D2459 V2460 I2461 V2486 M2490 | P2457-D2459 VanDerWaalsContact C-N 3.26Å; P2457-D2459 PolarHBondContact O-N 3.32Å; P2457-V2460 PolarHBondContact O-N 3.15Å; P2457-I2461 WeakPolarHBondContact O-CD1 3.35Å; P2457-I2461 VanDerWaalsContact O-CG1 3.27Å; P2457-I2461 WeakPolarHBondContact O-CG1 3.49Å; P2457-I2461 PolarHBondContact O-N 2.63Å; P2457-V2486 HydrophobicContact CB-CG1 4.27Å; P2457-M2490 HydrophobicContact CB-CG 3.49Å; P2457-M2490 VanDerWaalsContact CB-CG 3.49Å; P2457-M2490 HydrophobicContact CB-SD 3.51Å; P2457-M2490 VanDerWaalsContact CB-SD 3.51Å; P2457-M2490 HydrophobicContact CG-CG 3.69Å; P2457-M2490 HydrophobicContact CG-SD 4.09Å |
| 2458 | S | 69.4 | Low | 72.1 | Confident | 34 Ų | 34 | 43.4 Ų | 43.4 | 24% | 0.238 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -30.6 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 114 | Q2456 V2460 | Q2456-S2458 PolarHBondContact O-N 3.1Å; S2458-V2460 VanDerWaalsContact C-N 3.29Å; S2458-V2460 PolarHBondContact O-N 3.19Å |
| 2459 | D | 72.7 | Confident | 72.4 | Confident | 93 Ų | 93 | 45.9 Ų | 45.9 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -80.5 | -14.6 | -172.8 | -62 | -17.8 | 0 | 0 | 0 | 112.6 | M2422 I2455 Q2456 P2457 | M2422-D2459 HydrophobicContact CE-CB 4.43Å; I2455-D2459 HydrophobicContact CG2-CB 4.14Å; Q2456-D2459 PolarHBondContact O-N 3.2Å; P2457-D2459 VanDerWaalsContact C-N 3.26Å; P2457-D2459 PolarHBondContact O-N 3.32Å |
| 2460 | V | 76.6 | Confident | 72.8 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -110.2 | -31.2 | -170.6 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | F2425 L2451 I2455 P2457 S2458 N2462 K2463 L2464 | F2425-V2460 HydrophobicContact CD1-CG1 4.42Å; F2425-V2460 HydrophobicContact CE1-CG1 3.46Å; F2425-V2460 VanDerWaalsContact CE1-CG1 3.46Å; F2425-V2460 HydrophobicContact CE2-CG1 4.43Å; F2425-V2460 HydrophobicContact CZ-CG1 3.46Å; F2425-V2460 VanDerWaalsContact CZ-CG1 3.46Å; L2451-V2460 HydrophobicContact CD1-CG1 4Å; L2451-V2460 HydrophobicContact CD2-CG1 4.33Å; L2451-V2460 HydrophobicContact CD2-CG2 4.13Å; I2455-V2460 HydrophobicContact CB-CG2 4.39Å; I2455-V2460 HydrophobicContact CG2-CG2 3.77Å; P2457-V2460 PolarHBondContact O-N 3.15Å; S2458-V2460 VanDerWaalsContact C-N 3.29Å; S2458-V2460 PolarHBondContact O-N 3.19Å; V2460-N2462 PolarHBondContact O-N 3.44Å; V2460-K2463 PolarHBondContact O-N 3.26Å; V2460-K2463 VanDerWaalsContact O-N 3.08Å; V2460-L2464 HydrophobicContact CG1-CD1 3.8Å; V2460-L2464 HydrophobicContact CG1-CG 4.01Å; V2460-L2464 PolarHBondContact O-N 3.32Å |
| 2461 | I | 75.4 | Confident | 72.9 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.1 | -46.3 | -175.7 | -72 | 162.7 | 0 | 0 | 0 | 112.1 | P2457 K2463 L2464 V2465 V2486 L2487 M2490 W2501 | P2457-I2461 WeakPolarHBondContact O-CD1 3.35Å; P2457-I2461 VanDerWaalsContact O-CG1 3.27Å; P2457-I2461 WeakPolarHBondContact O-CG1 3.49Å; P2457-I2461 PolarHBondContact O-N 2.63Å; I2461-K2463 PolarHBondContact O-N 3.27Å; I2461-L2464 PolarHBondContact O-N 3.11Å; I2461-V2465 HydrophobicContact CG2-CG2 4.13Å; I2461-V2465 WeakPolarHBondContact O-CB 3.4Å; I2461-V2465 VanDerWaalsContact O-CG2 3.27Å; I2461-V2465 WeakPolarHBondContact O-CG2 3.25Å; I2461-V2465 PolarHBondContact O-N 2.92Å; I2461-V2486 HydrophobicContact CG1-CG1 4.44Å; I2461-L2487 HydrophobicContact CD1-CD2 4.33Å; I2461-M2490 HydrophobicContact CD1-CE 3.37Å; I2461-M2490 HydrophobicContact CD1-SD 4.35Å; I2461-W2501 HydrophobicContact CD1-CB 4.46Å; I2461-W2501 HydrophobicContact CD1-CG 4.35Å; I2461-W2501 HydrophobicContact CG2-CE3 4.24Å |
| 2462 | N | 76 | Confident | 72.8 | Confident | 93 Ų | 93 | 52.8 Ų | 52.8 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.3 | -39.3 | 178.9 | -85.8 | -29.3 | 0 | 0 | 0 | 112.1 | V2460 H2466 | V2460-N2462 PolarHBondContact O-N 3.44Å; N2462-H2466 WeakPolarHBondContact O-CB 3.32Å; N2462-H2466 PolarHBondContact O-N 3.18Å |
| 2463 | K | 79.1 | Confident | 72.8 | Confident | 63 Ų | 63 | 52.2 Ų | 52.2 | 27% | 0.274 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -73.5 | -42.5 | -179.3 | -139.5 | 167.5 | -169 | -174 | 0 | 111.6 | M2422 D2426 V2460 I2461 H2466 E2467 | M2422-K2463 HydrophobicContact SD-CD 4.31Å; D2426-K2463 VanDerWaalsContact CG-CE 3.46Å; D2426-K2463 WeakPolarHBondContact OD1-CE 3.34Å; D2426-K2463 IonicContact OD1-NZ 3.84Å; D2426-K2463 PolarHBondContact OD1-NZ 3.19Å; D2426-K2463 WeakPolarHBondContact OD2-CE 3.27Å; D2426-K2463 IonicContact OD2-NZ 3.46Å; D2426-K2463 PolarHBondContact OD2-NZ 2.99Å; V2460-K2463 PolarHBondContact O-N 3.26Å; V2460-K2463 VanDerWaalsContact O-N 3.08Å; I2461-K2463 PolarHBondContact O-N 3.27Å; K2463-H2466 PolarHBondContact O-N 3.01Å; K2463-E2467 PolarHBondContact O-N 3.17Å |
| 2464 | L | 78.1 | Confident | 72.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 173.9 | -74.4 | 172 | 0 | 0 | 0 | 112.3 | F2425 L2429 V2460 I2461 H2466 E2467 V2468 L2482 L2483 V2486 | F2425-L2464 HydrophobicContact CZ-CD2 4.25Å; F2425-L2464 HydrophobicContact CZ-CG 4.5Å; L2429-L2464 HydrophobicContact CD2-CD2 3.94Å; V2460-L2464 HydrophobicContact CG1-CD1 3.8Å; V2460-L2464 HydrophobicContact CG1-CG 4.01Å; V2460-L2464 PolarHBondContact O-N 3.32Å; I2461-L2464 PolarHBondContact O-N 3.11Å; L2464-H2466 VanDerWaalsContact C-N 3.31Å; L2464-H2466 PolarHBondContact O-N 2.91Å; L2464-E2467 PolarHBondContact O-N 3.15Å; L2464-V2468 WeakPolarHBondContact O-CB 3.42Å; L2464-V2468 WeakPolarHBondContact O-CG2 3.49Å; L2464-V2468 PolarHBondContact O-N 3.32Å; L2464-L2482 HydrophobicContact CD1-CD2 4Å; L2464-L2482 HydrophobicContact CD2-CD2 3.5Å; L2464-L2482 HydrophobicContact CG-CD2 4.41Å; L2464-L2483 HydrophobicContact CB-CD1 3.89Å; L2464-V2486 HydrophobicContact CD1-CG2 4.27Å |
| 2465 | V | 78.8 | Confident | 72.9 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | I2461 V2468 L2469 L2483 A2505 L2508 L2509 | I2461-V2465 HydrophobicContact CG2-CG2 4.13Å; I2461-V2465 WeakPolarHBondContact O-CB 3.4Å; I2461-V2465 VanDerWaalsContact O-CG2 3.27Å; I2461-V2465 WeakPolarHBondContact O-CG2 3.25Å; I2461-V2465 PolarHBondContact O-N 2.92Å; V2465-V2468 PolarHBondContact O-N 2.82Å; V2465-L2469 HydrophobicContact CG1-CD1 4.27Å; V2465-L2469 VanDerWaalsContact O-CG 3.3Å; V2465-L2469 WeakPolarHBondContact O-CG 3.44Å; V2465-L2469 PolarHBondContact O-N 3.24Å; V2465-L2483 HydrophobicContact CG2-CD1 3.96Å; V2465-A2505 HydrophobicContact CG2-CB 4.3Å; V2465-L2508 HydrophobicContact CG1-CB 4.13Å; V2465-L2508 HydrophobicContact CG1-CD1 4.18Å; V2465-L2509 HydrophobicContact CG1-CD2 4.38Å |
| 2466 | H | 81.2 | Confident | 73.2 | Confident | 116 Ų | 116 | 50.3 Ų | 50.3 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 177.6 | -142.8 | -53.3 | 0 | 0 | 0 | 112.5 | N2462 K2463 L2464 L2469 N2470 | N2462-H2466 WeakPolarHBondContact O-CB 3.32Å; N2462-H2466 PolarHBondContact O-N 3.18Å; K2463-H2466 PolarHBondContact O-N 3.01Å; L2464-H2466 VanDerWaalsContact C-N 3.31Å; L2464-H2466 PolarHBondContact O-N 2.91Å; H2466-L2469 PolarHBondContact O-N 2.81Å; H2466-N2470 PolarHBondContact ND1-ND2 3.28Å; H2466-N2470 VanDerWaalsContact ND1-ND2 3.16Å; H2466-N2470 WeakPolarHBondContact O-CB 3.47Å; H2466-N2470 VanDerWaalsContact O-CG 3.3Å; H2466-N2470 PolarHBondContact O-N 3.27Å; H2466-N2470 VanDerWaalsContact O-N 3.1Å; H2466-N2470 PolarHBondContact O-ND2 3.48Å |
| 2467 | E | 81 | Confident | 73.5 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69 | -39.8 | 172.8 | -78.8 | -62 | 170.1 | 0 | 0 | 112 | L2429 K2463 L2464 L2469 N2470 A2471 F2479 | L2429-E2467 HydrophobicContact CD1-CG 4.33Å; K2463-E2467 PolarHBondContact O-N 3.17Å; L2464-E2467 PolarHBondContact O-N 3.15Å; E2467-L2469 PolarHBondContact O-N 3.3Å; E2467-N2470 CarbonylContact O-C 3.54Å; E2467-N2470 PolarHBondContact O-N 2.97Å; E2467-N2470 VanDerWaalsContact O-N 3.13Å; E2467-A2471 WeakPolarHBondContact O-CA 3.44Å; E2467-A2471 WeakPolarHBondContact O-CB 3.4Å; E2467-A2471 PolarHBondContact O-N 3.45Å; E2467-F2479 HydrophobicContact CB-CD1 4.35Å; E2467-F2479 HydrophobicContact CB-CE1 4.4Å |
| 2468 | V | 77.7 | Confident | 73.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.5 | -37.9 | 173.9 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | L2464 V2465 F2479 V2480 L2509 K2512 | L2464-V2468 WeakPolarHBondContact O-CB 3.42Å; L2464-V2468 WeakPolarHBondContact O-CG2 3.49Å; L2464-V2468 PolarHBondContact O-N 3.32Å; V2465-V2468 PolarHBondContact O-N 2.82Å; V2468-F2479 HydrophobicContact CG2-CB 3.66Å; V2468-V2480 HydrophobicContact CG1-CG2 3.79Å; V2468-V2480 HydrophobicContact CG2-CG2 4.11Å; V2468-L2509 HydrophobicContact CG1-CD2 3.82Å; V2468-K2512 VanDerWaalsContact CG1-NZ 3.3Å; V2468-K2512 WeakPolarHBondContact O-CE 3.4Å; V2468-K2512 PolarHBondContact O-NZ 3.47Å |
| 2469 | L | 77.2 | Confident | 74.4 | Confident | 54 Ų | 54 | 42.6 Ų | 42.6 | 28% | 0.283 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71.7 | -33.9 | 176.8 | -70 | 171.4 | 0 | 0 | 0 | 113.4 | V2465 H2466 E2467 L2508 K2512 | V2465-L2469 HydrophobicContact CG1-CD1 4.27Å; V2465-L2469 VanDerWaalsContact O-CG 3.3Å; V2465-L2469 WeakPolarHBondContact O-CG 3.44Å; V2465-L2469 PolarHBondContact O-N 3.24Å; H2466-L2469 PolarHBondContact O-N 2.81Å; E2467-L2469 PolarHBondContact O-N 3.3Å; L2469-L2508 HydrophobicContact CD1-CB 4.43Å; L2469-L2508 WeakPolarHBondContact CD2-O 3.43Å; L2469-K2512 HydrophobicContact CD2-CG 4.02Å |
| 2470 | N | 77.1 | Confident | 74.6 | Confident | 110 Ų | 110 | 38.1 Ų | 38.1 | 59% | 0.588 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -92.8 | -12.9 | -178 | -68.7 | -21.2 | 0 | 0 | 0 | 113.6 | H2466 E2467 | H2466-N2470 PolarHBondContact ND1-ND2 3.28Å; H2466-N2470 VanDerWaalsContact ND1-ND2 3.16Å; H2466-N2470 WeakPolarHBondContact O-CB 3.47Å; H2466-N2470 VanDerWaalsContact O-CG 3.3Å; H2466-N2470 PolarHBondContact O-N 3.27Å; H2466-N2470 VanDerWaalsContact O-N 3.1Å; H2466-N2470 PolarHBondContact O-ND2 3.48Å; E2467-N2470 CarbonylContact O-C 3.54Å; E2467-N2470 PolarHBondContact O-N 2.97Å; E2467-N2470 VanDerWaalsContact O-N 3.13Å |
| 2471 | A | 70.3 | Confident | 74.6 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -69.2 | 142.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2467 E2476 F2479 | E2467-A2471 WeakPolarHBondContact O-CA 3.44Å; E2467-A2471 WeakPolarHBondContact O-CB 3.4Å; E2467-A2471 PolarHBondContact O-N 3.45Å; A2471-E2476 HydrophobicContact CB-CG 4.04Å; A2471-F2479 HydrophobicContact CB-CD2 3.61Å; A2471-F2479 HydrophobicContact CB-CE2 3.95Å |
| 2472 | D | 67.1 | Low | 74.7 | Confident | 98 Ų | 98 | 38.7 Ų | 38.7 | 52% | 0.524 | 21% | 0.206 | S | C | . | . | trans | -58.6 | 148.3 | 171.9 | -83.5 | -38 | 0 | 0 | 0 | 111.8 | L2474 R2475 E2476 | D2472-L2474 PolarHBondContact O-N 3.04Å; D2472-R2475 PolarHBondContact O-N 3.05Å; D2472-R2475 IonicContact OD2-NH1 2.95Å; D2472-E2476 WeakPolarHBondContact O-CG 3.32Å; D2472-E2476 PolarHBondContact O-N 3Å | ||
| 2473 | P | 65.7 | Low | 74.9 | Confident | 56 Ų | 56 | 34.4 Ų | 34.4 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.9 | -32.2 | 177.5 | -28.7 | 28.9 | 0 | 0 | 0 | 116.6 | E2476 R2517 | P2473-E2476 WeakPolarHBondContact CA-OE2 3.43Å; P2473-R2517 VanDerWaalsContact CG-NH1 3.32Å |
| 2474 | L | 58.9 | Low | 74.8 | Confident | 53 Ų | 53 | 31.4 Ų | 31.4 | 28% | 0.277 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -22.1 | -175 | -72.7 | 160.5 | 0 | 0 | 0 | 113.1 | L1655 D2472 | L1655-L2474 HydrophobicContact CD1-CD1 4.22Å; L1655-L2474 HydrophobicContact CD1-CD2 3.89Å; D2472-L2474 PolarHBondContact O-N 3.04Å |
| 2475 | R | 69.9 | Low | 74.7 | Confident | 34 Ų | 34 | 34.3 Ų | 34.3 | 13% | 0.128 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -17.6 | -177.8 | -63.7 | -170.4 | 178 | 111.7 | -7.6 | 113.2 | I2432 S2433 R2434 I2435 D2472 P2477 I2478 F2479 | I2432-R2475 VanDerWaalsContact O-CD 3.23Å; I2432-R2475 WeakPolarHBondContact O-CD 3.44Å; I2432-R2475 PolarHBondContact O-NE 2.95Å; S2433-R2475 VanDerWaalsContact C-NH1 3.29Å; S2433-R2475 PolarHBondContact O-NH1 2.9Å; S2433-R2475 PolarHBondContact O-NH2 3.46Å; R2434-R2475 VanDerWaalsContact CA-NH2 3.32Å; R2434-R2475 PolarHBondContact O-NH2 3.12Å; I2435-R2475 PolarHBondContact O-NH2 3.15Å; D2472-R2475 PolarHBondContact O-N 3.05Å; D2472-R2475 IonicContact OD2-NH1 2.95Å; R2475-P2477 VanDerWaalsContact C-CD 3.45Å; R2475-P2477 VanDerWaalsContact C-N 3.33Å; R2475-I2478 WeakPolarHBondContact O-CB 3.43Å; R2475-I2478 PolarHBondContact O-N 3.26Å; R2475-F2479 HydrophobicContact CB-CD2 4.18Å; R2475-F2479 HydrophobicContact CB-CE2 4.02Å; R2475-F2479 WeakPolarHBondContact O-CD2 3.04Å; R2475-F2479 PolarHBondContact O-N 3.37Å; R2475-F2479 VanDerWaalsContact O-N 3.15Å |
| 2476 | E | 74.5 | Confident | 74.5 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -41.9 | -51.1 | 169.8 | -76.1 | 179.2 | 131.8 | 0 | 0 | 113.4 | A2471 D2472 P2473 I2478 F2479 V2480 K2512 R2517 Y2546 | A2471-E2476 HydrophobicContact CB-CG 4.04Å; D2472-E2476 WeakPolarHBondContact O-CG 3.32Å; D2472-E2476 PolarHBondContact O-N 3Å; P2473-E2476 WeakPolarHBondContact CA-OE2 3.43Å; E2476-I2478 VanDerWaalsContact C-N 3.26Å; E2476-I2478 PolarHBondContact O-N 2.9Å; E2476-F2479 PolarHBondContact O-N 3.04Å; E2476-V2480 VanDerWaalsContact O-CB 3.32Å; E2476-V2480 WeakPolarHBondContact O-CB 3.3Å; E2476-V2480 WeakPolarHBondContact O-CG2 3.38Å; E2476-V2480 PolarHBondContact O-N 3.27Å; E2476-K2512 WeakPolarHBondContact OE1-CD 3.18Å; E2476-K2512 WeakPolarHBondContact OE1-CE 3.33Å; E2476-K2512 IonicContact OE1-NZ 2.78Å; E2476-K2512 PolarHBondContact OE1-NZ 3.24Å; E2476-R2517 WeakPolarHBondContact OE2-CD 3.4Å; E2476-R2517 IonicContact OE2-CZ 2.94Å; E2476-R2517 IonicContact OE2-NE 2.66Å; E2476-R2517 IonicContact OE2-NH1 3.59Å; E2476-R2517 PolarHBondContact OE2-NH1 3.16Å; E2476-Y2546 HydrophobicContact CB-CD1 4.43Å; E2476-Y2546 HydrophobicContact CB-CE1 3.57Å; E2476-Y2546 HydrophobicContact CG-CE1 4.48Å |
| 2477 | P | 72.6 | Confident | 74.2 | Confident | 38 Ų | 38 | 29.8 Ų | 29.8 | 25% | 0.247 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -27.7 | -179.2 | 22.2 | -32.5 | 0 | 0 | 0 | 113.9 | R2475 G2481 Y2546 | R2475-P2477 VanDerWaalsContact C-CD 3.45Å; R2475-P2477 VanDerWaalsContact C-N 3.33Å; P2477-G2481 PolarHBondContact O-N 3.19Å; P2477-Y2546 HydrophobicContact CB-CD1 4.29Å; P2477-Y2546 HydrophobicContact CB-CG 4.13Å; P2477-Y2546 HydrophobicContact CG-CD1 4.49Å |
| 2478 | I | 73.2 | Confident | 73.8 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.1 | -49 | 176.1 | -51.7 | -175.7 | 0 | 0 | 0 | 109.9 | T2437 A2440 N2441 A2444 R2475 E2476 V2480 G2481 L2482 | T2437-I2478 HydrophobicContact CG2-CD1 3.94Å; A2440-I2478 HydrophobicContact CB-CD1 3.92Å; N2441-I2478 WeakPolarHBondContact OD1-CD1 3.45Å; N2441-I2478 VanDerWaalsContact OD1-CG1 3.28Å; N2441-I2478 WeakPolarHBondContact OD1-CG1 3.34Å; A2444-I2478 HydrophobicContact CB-CG2 3.53Å; R2475-I2478 WeakPolarHBondContact O-CB 3.43Å; R2475-I2478 PolarHBondContact O-N 3.26Å; E2476-I2478 VanDerWaalsContact C-N 3.26Å; E2476-I2478 PolarHBondContact O-N 2.9Å; I2478-V2480 VanDerWaalsContact C-N 3.32Å; I2478-V2480 PolarHBondContact O-N 3.49Å; I2478-G2481 PolarHBondContact O-N 3Å; I2478-L2482 PolarHBondContact O-N 3.4Å |
| 2479 | F | 79.4 | Confident | 73.1 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.1 | -35.4 | 177.3 | -70.8 | -68.5 | 0 | 0 | 0 | 112.3 | L2429 I2432 E2467 V2468 A2471 R2475 E2476 L2482 L2483 | L2429-F2479 HydrophobicContact CD2-CD1 4.26Å; L2429-F2479 HydrophobicContact CD2-CE1 3.78Å; I2432-F2479 HydrophobicContact CB-CE1 4.27Å; I2432-F2479 HydrophobicContact CB-CZ 4.04Å; I2432-F2479 HydrophobicContact CG2-CE1 3.76Å; I2432-F2479 HydrophobicContact CG2-CE2 4.07Å; I2432-F2479 HydrophobicContact CG2-CZ 3.49Å; I2432-F2479 VanDerWaalsContact CG2-CZ 3.49Å; E2467-F2479 HydrophobicContact CB-CD1 4.35Å; E2467-F2479 HydrophobicContact CB-CE1 4.4Å; V2468-F2479 HydrophobicContact CG2-CB 3.66Å; A2471-F2479 HydrophobicContact CB-CD2 3.61Å; A2471-F2479 HydrophobicContact CB-CE2 3.95Å; R2475-F2479 HydrophobicContact CB-CD2 4.18Å; R2475-F2479 HydrophobicContact CB-CE2 4.02Å; R2475-F2479 WeakPolarHBondContact O-CD2 3.04Å; R2475-F2479 PolarHBondContact O-N 3.37Å; R2475-F2479 VanDerWaalsContact O-N 3.15Å; E2476-F2479 PolarHBondContact O-N 3.04Å; F2479-L2482 PolarHBondContact O-N 3.31Å; F2479-L2483 WeakPolarHBondContact O-CB 3.34Å; F2479-L2483 PolarHBondContact O-N 3.39Å |
| 2480 | V | 77.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -41.3 | 172.4 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | V2468 E2476 I2478 L2482 L2483 C2484 C2521 C2524 L2543 Y2546 | V2468-V2480 HydrophobicContact CG1-CG2 3.79Å; V2468-V2480 HydrophobicContact CG2-CG2 4.11Å; E2476-V2480 VanDerWaalsContact O-CB 3.32Å; E2476-V2480 WeakPolarHBondContact O-CB 3.3Å; E2476-V2480 WeakPolarHBondContact O-CG2 3.38Å; E2476-V2480 PolarHBondContact O-N 3.27Å; I2478-V2480 VanDerWaalsContact C-N 3.32Å; I2478-V2480 PolarHBondContact O-N 3.49Å; V2480-L2482 VanDerWaalsContact C-N 3.32Å; V2480-L2482 PolarHBondContact O-N 3.01Å; V2480-L2483 PolarHBondContact O-N 3.45Å; V2480-C2484 VanDerWaalsContact O-CB 3.26Å; V2480-C2484 WeakPolarHBondContact O-CB 3.18Å; V2480-C2484 PolarHBondContact O-N 3.15Å; V2480-C2484 PolarHBondContact O-SG 3.21Å; V2480-C2521 WeakPolarHBondContact CG2-SG 3.46Å; V2480-C2524 HydrophobicContact CG1-CB 3.94Å; V2480-L2543 HydrophobicContact CG1-CD2 4.11Å; V2480-Y2546 HydrophobicContact CB-CE2 4.23Å; V2480-Y2546 HydrophobicContact CG1-CE2 4.09Å; V2480-Y2546 HydrophobicContact CG2-CE2 3.86Å |
| 2481 | G | 75.9 | Confident | 72.1 | Confident | 15 Ų | 15 | 28.1 Ų | 28.1 | 16% | 0.155 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.9 | -44 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P2477 I2478 C2484 Q2485 | P2477-G2481 PolarHBondContact O-N 3.19Å; I2478-G2481 PolarHBondContact O-N 3Å; G2481-C2484 PolarHBondContact O-N 3.37Å; G2481-Q2485 PolarHBondContact O-N 3.24Å |
| 2482 | L | 77 | Confident | 71.6 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 176.5 | -145.8 | 117.4 | 0 | 0 | 0 | 111.7 | A2444 L2451 L2464 I2478 F2479 V2480 Q2485 V2486 | A2444-L2482 VanDerWaalsContact CA-CD1 3.48Å; A2444-L2482 HydrophobicContact CB-CD1 3.45Å; A2444-L2482 VanDerWaalsContact CB-CD1 3.45Å; A2444-L2482 WeakPolarHBondContact O-CD1 3.48Å; L2451-L2482 HydrophobicContact CD1-CD2 4.42Å; L2464-L2482 HydrophobicContact CD1-CD2 4Å; L2464-L2482 HydrophobicContact CD2-CD2 3.5Å; L2464-L2482 HydrophobicContact CG-CD2 4.41Å; I2478-L2482 PolarHBondContact O-N 3.4Å; F2479-L2482 PolarHBondContact O-N 3.31Å; V2480-L2482 VanDerWaalsContact C-N 3.32Å; V2480-L2482 PolarHBondContact O-N 3.01Å; L2482-Q2485 PolarHBondContact O-N 3.05Å; L2482-V2486 WeakPolarHBondContact O-CG2 3.35Å; L2482-V2486 PolarHBondContact O-N 3.28Å; L2482-V2486 VanDerWaalsContact O-N 3.09Å |
| 2483 | L | 79.7 | Confident | 71.1 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.2 | -174 | 81.3 | 0 | 0 | 0 | 111.1 | L2464 V2465 F2479 V2480 V2486 L2487 V2525 | L2464-L2483 HydrophobicContact CB-CD1 3.89Å; V2465-L2483 HydrophobicContact CG2-CD1 3.96Å; F2479-L2483 WeakPolarHBondContact O-CB 3.34Å; F2479-L2483 PolarHBondContact O-N 3.39Å; V2480-L2483 PolarHBondContact O-N 3.45Å; L2483-V2486 PolarHBondContact O-N 3.49Å; L2483-L2487 HydrophobicContact CD2-CD1 4.31Å; L2483-L2487 HydrophobicContact CG-CD1 3.96Å; L2483-L2487 WeakPolarHBondContact O-CB 3.3Å; L2483-L2487 VanDerWaalsContact O-CG 3.27Å; L2483-L2487 WeakPolarHBondContact O-CG 3Å; L2483-L2487 PolarHBondContact O-N 3.26Å; L2483-V2525 HydrophobicContact CD2-CG2 3.93Å |
| 2484 | C | 77.9 | Confident | 70.6 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 178.5 | -75.2 | 0 | 0 | 0 | 0 | 112.4 | V2480 G2481 S2488 S2528 | V2480-C2484 VanDerWaalsContact O-CB 3.26Å; V2480-C2484 WeakPolarHBondContact O-CB 3.18Å; V2480-C2484 PolarHBondContact O-N 3.15Å; V2480-C2484 PolarHBondContact O-SG 3.21Å; G2481-C2484 PolarHBondContact O-N 3.37Å; C2484-S2488 VanDerWaalsContact O-CB 3.32Å; C2484-S2488 WeakPolarHBondContact O-CB 3.23Å; C2484-S2488 PolarHBondContact O-N 3.03Å; C2484-S2488 PolarHBondContact O-OG 3.22Å; C2484-S2528 WeakPolarHBondContact CB-OG 3.2Å; C2484-S2528 PolarHBondContact SG-OG 2.95Å |
| 2485 | Q | 75.9 | Confident | 70.7 | Confident | 60 Ų | 60 | 36.3 Ų | 36.3 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63 | -50.4 | 174.3 | -84.8 | 178.4 | -46.4 | 0 | 0 | 111.4 | G2481 L2482 L2487 S2488 K2489 | G2481-Q2485 PolarHBondContact O-N 3.24Å; L2482-Q2485 PolarHBondContact O-N 3.05Å; Q2485-L2487 VanDerWaalsContact C-N 3.35Å; Q2485-L2487 PolarHBondContact O-N 3.47Å; Q2485-S2488 PolarHBondContact O-N 3.15Å; Q2485-S2488 PolarHBondContact O-OG 3.06Å; Q2485-K2489 PolarHBondContact O-N 3.45Å |
| 2486 | V | 75.4 | Confident | 70.3 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 9% | 0.085 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | P2457 I2461 L2464 L2482 L2483 K2489 M2490 | P2457-V2486 HydrophobicContact CB-CG1 4.27Å; I2461-V2486 HydrophobicContact CG1-CG1 4.44Å; L2464-V2486 HydrophobicContact CD1-CG2 4.27Å; L2482-V2486 WeakPolarHBondContact O-CG2 3.35Å; L2482-V2486 PolarHBondContact O-N 3.28Å; L2482-V2486 VanDerWaalsContact O-N 3.09Å; L2483-V2486 PolarHBondContact O-N 3.49Å; V2486-K2489 PolarHBondContact O-N 3.47Å; V2486-M2490 PolarHBondContact O-N 3.24Å |
| 2487 | L | 74 | Confident | 69.8 | Low | 11 Ų | 11 | 41.3 Ų | 41.3 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.1 | -38.6 | 177.8 | -72.6 | 171.4 | 0 | 0 | 0 | 113 | I2461 L2483 Q2485 K2489 M2490 S2491 V2502 V2525 | I2461-L2487 HydrophobicContact CD1-CD2 4.33Å; L2483-L2487 HydrophobicContact CD2-CD1 4.31Å; L2483-L2487 HydrophobicContact CG-CD1 3.96Å; L2483-L2487 WeakPolarHBondContact O-CB 3.3Å; L2483-L2487 VanDerWaalsContact O-CG 3.27Å; L2483-L2487 WeakPolarHBondContact O-CG 3Å; L2483-L2487 PolarHBondContact O-N 3.26Å; Q2485-L2487 VanDerWaalsContact C-N 3.35Å; Q2485-L2487 PolarHBondContact O-N 3.47Å; L2487-K2489 VanDerWaalsContact C-N 3.28Å; L2487-K2489 PolarHBondContact O-N 3.26Å; L2487-M2490 HydrophobicContact CD2-CE 4.04Å; L2487-M2490 PolarHBondContact O-N 3.49Å; L2487-S2491 PolarHBondContact O-N 3.34Å; L2487-V2502 HydrophobicContact CD2-CG2 4.17Å; L2487-V2525 HydrophobicContact CD1-CG1 3.97Å; L2487-V2525 HydrophobicContact CD1-CG2 4.42Å |
| 2488 | S | 73 | Confident | 69.5 | Low | 33 Ų | 33 | 40.4 Ų | 40.4 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.3 | -33.5 | 179.8 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | C2484 Q2485 S2491 S2528 | C2484-S2488 VanDerWaalsContact O-CB 3.32Å; C2484-S2488 WeakPolarHBondContact O-CB 3.23Å; C2484-S2488 PolarHBondContact O-N 3.03Å; C2484-S2488 PolarHBondContact O-OG 3.22Å; Q2485-S2488 PolarHBondContact O-N 3.15Å; Q2485-S2488 PolarHBondContact O-OG 3.06Å; S2488-S2491 PolarHBondContact O-N 3.46Å; S2488-S2491 PolarHBondContact O-OG 3.27Å; S2488-S2528 WeakPolarHBondContact CA-O 3.43Å |
| 2489 | K | 63.4 | Low | 69.3 | Low | 100 Ų | 100 | 41.8 Ų | 41.8 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -75.8 | -36.4 | 177.8 | -145 | 176.4 | -176 | -176.8 | 0 | 112.5 | E2452 Q2485 V2486 L2487 S2491 V2492 | E2452-K2489 HydrophobicContact CB-CD 4.29Å; E2452-K2489 VanDerWaalsContact CD-NZ 3.32Å; E2452-K2489 HydrophobicContact CG-CD 3.57Å; E2452-K2489 WeakPolarHBondContact OE2-CE 3.38Å; E2452-K2489 IonicContact OE2-NZ 2.92Å; E2452-K2489 PolarHBondContact OE2-NZ 3Å; Q2485-K2489 PolarHBondContact O-N 3.45Å; V2486-K2489 PolarHBondContact O-N 3.47Å; L2487-K2489 VanDerWaalsContact C-N 3.28Å; L2487-K2489 PolarHBondContact O-N 3.26Å; K2489-S2491 PolarHBondContact O-N 3.44Å; K2489-V2492 PolarHBondContact O-N 2.84Å |
| 2490 | M | 66.9 | Low | 68.9 | Low | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.5 | -34.6 | 171.2 | -90.3 | -135.8 | -59.6 | 0 | 0 | 112.6 | P2457 I2461 V2486 L2487 V2492 S2493 T2498 W2501 | P2457-M2490 HydrophobicContact CB-CG 3.49Å; P2457-M2490 VanDerWaalsContact CB-CG 3.49Å; P2457-M2490 HydrophobicContact CB-SD 3.51Å; P2457-M2490 VanDerWaalsContact CB-SD 3.51Å; P2457-M2490 HydrophobicContact CG-CG 3.69Å; P2457-M2490 HydrophobicContact CG-SD 4.09Å; I2461-M2490 HydrophobicContact CD1-CE 3.37Å; I2461-M2490 HydrophobicContact CD1-SD 4.35Å; V2486-M2490 PolarHBondContact O-N 3.24Å; L2487-M2490 HydrophobicContact CD2-CE 4.04Å; L2487-M2490 PolarHBondContact O-N 3.49Å; M2490-V2492 PolarHBondContact O-N 3.02Å; M2490-S2493 PolarHBondContact O-N 3.19Å; M2490-S2493 PolarHBondContact O-OG 3.33Å; M2490-T2498 HydrophobicContact CB-CG2 3.65Å; M2490-T2498 HydrophobicContact CE-CG2 4.06Å; M2490-T2498 HydrophobicContact CG-CG2 4.28Å; M2490-T2498 WeakPolarHBondContact O-CG2 3.4Å; M2490-T2498 HydrophobicContact SD-CG2 3.86Å; M2490-W2501 HydrophobicContact CE-CB 4.47Å |
| 2491 | S | 64.9 | Low | 68.8 | Low | 19 Ų | 19 | 48.8 Ų | 48.8 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.3 | -179.3 | 79.6 | 0 | 0 | 0 | 0 | 115.1 | L2487 S2488 K2489 | L2487-S2491 PolarHBondContact O-N 3.34Å; S2488-S2491 PolarHBondContact O-N 3.46Å; S2488-S2491 PolarHBondContact O-OG 3.27Å; K2489-S2491 PolarHBondContact O-N 3.44Å |
| 2492 | V | 60.2 | Low | 68.6 | Low | 119 Ų | 119 | 48.1 Ų | 48.1 | 72% | 0.721 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -34.8 | -179.6 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | K2489 M2490 | K2489-V2492 PolarHBondContact O-N 2.84Å; M2490-V2492 PolarHBondContact O-N 3.02Å |
| 2493 | S | 56.8 | Low | 68.5 | Low | 60 Ų | 60 | 49.4 Ų | 49.4 | 42% | 0.42 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -73.8 | 124.4 | 165.3 | 44.9 | 0 | 0 | 0 | 0 | 108.9 | M2490 D2495 | M2490-S2493 PolarHBondContact O-N 3.19Å; M2490-S2493 PolarHBondContact O-OG 3.33Å; S2493-D2495 PolarHBondContact O-N 3.42Å |
| 2494 | T | 55.4 | Low | 68.2 | Low | 119 Ų | 119 | 54.5 Ų | 54.5 | 73% | 0.73 | 31% | 0.307 | S | S | * | . | trans | -71.6 | 44.5 | -176 | 48.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 2495 | D | 59.8 | Low | 68 | Low | 94 Ų | 94 | 55 Ų | 55 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | trans | -94.9 | 126.7 | 179.8 | -80.3 | -18.9 | 0 | 0 | 0 | 111.6 | S2493 S2497 T2498 | S2493-D2495 PolarHBondContact O-N 3.42Å; D2495-S2497 PolarHBondContact O-N 3.44Å; D2495-T2498 PolarHBondContact O-N 3.08Å; D2495-T2498 PolarHBondContact O-OG1 3.48Å | ||
| 2496 | P | 63.4 | Low | 68.1 | Low | 102 Ų | 102 | 52.5 Ų | 52.5 | 66% | 0.662 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -17.1 | -178.5 | 24.5 | -32.3 | 0 | 0 | 0 | 114 | T2498 L2499 | P2496-T2498 PolarHBondContact O-N 3.01Å; P2496-L2499 PolarHBondContact O-N 3.01Å |
| 2497 | S | 63.9 | Low | 68 | Low | 47 Ų | 47 | 54.1 Ų | 54.1 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.4 | -17.9 | -179.9 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | D2495 D2500 W2501 | D2495-S2497 PolarHBondContact O-N 3.44Å; S2497-D2500 WeakPolarHBondContact O-CB 3.45Å; S2497-D2500 PolarHBondContact O-N 3.35Å; S2497-W2501 PolarHBondContact O-N 3.02Å; S2497-W2501 VanDerWaalsContact O-N 3.15Å |
| 2498 | T | 65.1 | Low | 68.1 | Low | 18 Ų | 18 | 56.5 Ų | 56.5 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.1 | -38.4 | -180 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | M2490 D2495 P2496 V2502 | M2490-T2498 HydrophobicContact CB-CG2 3.65Å; M2490-T2498 HydrophobicContact CE-CG2 4.06Å; M2490-T2498 HydrophobicContact CG-CG2 4.28Å; M2490-T2498 WeakPolarHBondContact O-CG2 3.4Å; M2490-T2498 HydrophobicContact SD-CG2 3.86Å; D2495-T2498 PolarHBondContact O-N 3.08Å; D2495-T2498 PolarHBondContact O-OG1 3.48Å; P2496-T2498 PolarHBondContact O-N 3.01Å; T2498-V2502 VanDerWaalsContact O-CG2 3.31Å; T2498-V2502 WeakPolarHBondContact O-CG2 3.47Å; T2498-V2502 PolarHBondContact O-N 2.81Å |
| 2499 | L | 70.1 | Confident | 68.2 | Low | 42 Ų | 42 | 54.9 Ų | 54.9 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.7 | -36.7 | 174.6 | -70.9 | 168.1 | 0 | 0 | 0 | 111.1 | P2496 V2502 L2503 V2529 F2564 L2568 | P2496-L2499 PolarHBondContact O-N 3.01Å; L2499-V2502 PolarHBondContact O-N 3.15Å; L2499-L2503 WeakPolarHBondContact O-CB 3.45Å; L2499-L2503 VanDerWaalsContact O-CG 3.3Å; L2499-L2503 WeakPolarHBondContact O-CG 3.5Å; L2499-L2503 PolarHBondContact O-N 3.1Å; L2499-V2529 HydrophobicContact CD2-CG1 4.43Å; L2499-F2564 HydrophobicContact CD2-CE2 3.77Å; L2499-F2564 HydrophobicContact CD2-CZ 3.83Å; L2499-L2568 HydrophobicContact CD1-CD2 4.33Å; L2499-L2568 HydrophobicContact CD2-CD2 4.02Å |
| 2500 | D | 71.4 | Confident | 68.6 | Low | 91 Ų | 91 | 51.3 Ų | 51.3 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 177.4 | -66.6 | -28.2 | 0 | 0 | 0 | 112 | S2497 V2502 L2503 L2504 | S2497-D2500 WeakPolarHBondContact O-CB 3.45Å; S2497-D2500 PolarHBondContact O-N 3.35Å; D2500-V2502 PolarHBondContact O-N 3.26Å; D2500-L2503 PolarHBondContact O-N 3.49Å; D2500-L2504 WeakPolarHBondContact O-CB 3.38Å; D2500-L2504 WeakPolarHBondContact O-CD1 3.42Å; D2500-L2504 WeakPolarHBondContact O-CG 3.49Å; D2500-L2504 PolarHBondContact O-N 3Å |
| 2501 | W | 73.8 | Confident | 68.9 | Low | 57 Ų | 57 | 59.3 Ų | 59.3 | 22% | 0.216 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 176.1 | -79.4 | 111.2 | 0 | 0 | 0 | 112.9 | I2461 M2490 S2497 L2504 A2505 | I2461-W2501 HydrophobicContact CD1-CB 4.46Å; I2461-W2501 HydrophobicContact CD1-CG 4.35Å; I2461-W2501 HydrophobicContact CG2-CE3 4.24Å; M2490-W2501 HydrophobicContact CE-CB 4.47Å; S2497-W2501 PolarHBondContact O-N 3.02Å; S2497-W2501 VanDerWaalsContact O-N 3.15Å; W2501-L2504 HydrophobicContact CE3-CD1 4.45Å; W2501-L2504 PolarHBondContact O-N 3.01Å; W2501-A2505 WeakPolarHBondContact O-CB 3.38Å; W2501-A2505 PolarHBondContact O-N 3.49Å |
| 2502 | V | 72.4 | Confident | 69 | Low | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 175.5 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | L2487 T2498 L2499 D2500 L2504 A2505 V2506 V2525 V2529 F2564 | L2487-V2502 HydrophobicContact CD2-CG2 4.17Å; T2498-V2502 VanDerWaalsContact O-CG2 3.31Å; T2498-V2502 WeakPolarHBondContact O-CG2 3.47Å; T2498-V2502 PolarHBondContact O-N 2.81Å; L2499-V2502 PolarHBondContact O-N 3.15Å; D2500-V2502 PolarHBondContact O-N 3.26Å; V2502-L2504 VanDerWaalsContact C-N 3.29Å; V2502-L2504 PolarHBondContact O-N 3.32Å; V2502-A2505 PolarHBondContact O-N 3.16Å; V2502-A2505 VanDerWaalsContact O-N 3.14Å; V2502-V2506 HydrophobicContact CG1-CG2 4.25Å; V2502-V2506 WeakPolarHBondContact O-CG2 3.39Å; V2502-V2506 PolarHBondContact O-N 3.07Å; V2502-V2525 HydrophobicContact CG1-CG1 4.26Å; V2502-V2529 HydrophobicContact CG2-CG2 3.81Å; V2502-F2564 HydrophobicContact CB-CZ 4.28Å; V2502-F2564 HydrophobicContact CG1-CE1 4.33Å; V2502-F2564 HydrophobicContact CG1-CE2 4.09Å; V2502-F2564 HydrophobicContact CG1-CZ 3.62Å |
| 2503 | L | 74.3 | Confident | 69.2 | Low | 30 Ų | 30 | 60.2 Ų | 60.2 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.1 | -34.9 | 175.5 | -73 | 166.2 | 0 | 0 | 0 | 112.5 | L2499 D2500 P2507 L2568 A2573 F2577 | L2499-L2503 WeakPolarHBondContact O-CB 3.45Å; L2499-L2503 VanDerWaalsContact O-CG 3.3Å; L2499-L2503 WeakPolarHBondContact O-CG 3.5Å; L2499-L2503 PolarHBondContact O-N 3.1Å; D2500-L2503 PolarHBondContact O-N 3.49Å; L2503-P2507 WeakPolarHBondContact O-CD 3.4Å; L2503-L2568 HydrophobicContact CD1-CD2 4.46Å; L2503-A2573 HydrophobicContact CD1-CB 3.93Å; L2503-F2577 HydrophobicContact CD2-CB 3.95Å; L2503-F2577 HydrophobicContact CD2-CD2 3.99Å; L2503-F2577 HydrophobicContact CD2-CG 4.43Å |
| 2504 | L | 74.7 | Confident | 69.6 | Low | 110 Ų | 110 | 60.5 Ų | 60.5 | 58% | 0.576 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -71 | -34.8 | 172.5 | -82.7 | 157.2 | 0 | 0 | 0 | 113.2 | D2500 W2501 V2502 | D2500-L2504 WeakPolarHBondContact O-CB 3.38Å; D2500-L2504 WeakPolarHBondContact O-CD1 3.42Å; D2500-L2504 WeakPolarHBondContact O-CG 3.49Å; D2500-L2504 PolarHBondContact O-N 3Å; W2501-L2504 HydrophobicContact CE3-CD1 4.45Å; W2501-L2504 PolarHBondContact O-N 3.01Å; V2502-L2504 VanDerWaalsContact C-N 3.29Å; V2502-L2504 PolarHBondContact O-N 3.32Å |
| 2505 | A | 74.3 | Confident | 70.1 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -78.6 | -32.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V2465 W2501 V2502 L2508 L2509 | V2465-A2505 HydrophobicContact CG2-CB 4.3Å; W2501-A2505 WeakPolarHBondContact O-CB 3.38Å; W2501-A2505 PolarHBondContact O-N 3.49Å; V2502-A2505 PolarHBondContact O-N 3.16Å; V2502-A2505 VanDerWaalsContact O-N 3.14Å; A2505-L2508 WeakPolarHBondContact O-CB 3.27Å; A2505-L2508 PolarHBondContact O-N 3.33Å; A2505-L2508 VanDerWaalsContact O-N 3.11Å; A2505-L2509 HydrophobicContact CB-CD1 4.33Å; A2505-L2509 WeakPolarHBondContact O-CG 3.3Å; A2505-L2509 PolarHBondContact O-N 3.28Å |
| 2506 | V | 76.3 | Confident | 70.6 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.6 | -49.3 | -176.8 | 169.5 | 0 | 0 | 0 | 0 | 112.8 | V2502 L2508 L2509 L2510 L2522 F2526 V2580 | V2502-V2506 HydrophobicContact CG1-CG2 4.25Å; V2502-V2506 WeakPolarHBondContact O-CG2 3.39Å; V2502-V2506 PolarHBondContact O-N 3.07Å; V2506-L2508 VanDerWaalsContact C-N 3.29Å; V2506-L2508 PolarHBondContact O-N 3.45Å; V2506-L2509 PolarHBondContact O-N 3.27Å; V2506-L2510 HydrophobicContact CG1-CD1 3.8Å; V2506-L2510 WeakPolarHBondContact O-CB 3.36Å; V2506-L2510 WeakPolarHBondContact O-CD1 3.42Å; V2506-L2510 WeakPolarHBondContact O-CG 3.22Å; V2506-L2510 PolarHBondContact O-N 2.98Å; V2506-L2522 HydrophobicContact CB-CD2 4.24Å; V2506-L2522 HydrophobicContact CG1-CD2 4.06Å; V2506-L2522 HydrophobicContact CG2-CD2 3.88Å; V2506-F2526 HydrophobicContact CG2-CE1 3.91Å; V2506-F2526 HydrophobicContact CG2-CZ 4.14Å; V2506-V2580 HydrophobicContact CG1-CG1 3.76Å |
| 2507 | P | 73.6 | Confident | 71.1 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.9 | -32.1 | 177.1 | -21 | 31 | 0 | 0 | 0 | 113.8 | L2503 V2580 | L2503-P2507 WeakPolarHBondContact O-CD 3.4Å; P2507-V2580 HydrophobicContact CG-CG1 4.42Å; P2507-V2580 HydrophobicContact CG-CG2 4.27Å |
| 2508 | L | 76.2 | Confident | 71.6 | Confident | 60 Ų | 60 | 49.2 Ų | 49.2 | 31% | 0.314 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.2 | -47.7 | 178.8 | -68.5 | 170.4 | 0 | 0 | 0 | 110.5 | V2465 L2469 A2505 V2506 L2510 R2511 | V2465-L2508 HydrophobicContact CG1-CB 4.13Å; V2465-L2508 HydrophobicContact CG1-CD1 4.18Å; L2469-L2508 HydrophobicContact CD1-CB 4.43Å; L2469-L2508 WeakPolarHBondContact CD2-O 3.43Å; A2505-L2508 WeakPolarHBondContact O-CB 3.27Å; A2505-L2508 PolarHBondContact O-N 3.33Å; A2505-L2508 VanDerWaalsContact O-N 3.11Å; V2506-L2508 VanDerWaalsContact C-N 3.29Å; V2506-L2508 PolarHBondContact O-N 3.45Å; L2508-L2510 VanDerWaalsContact C-N 3.26Å; L2508-L2510 PolarHBondContact O-N 3.32Å; L2508-R2511 WeakPolarHBondContact O-CB 3.43Å; L2508-R2511 PolarHBondContact O-N 3.34Å; L2508-R2511 VanDerWaalsContact O-N 3.11Å |
| 2509 | L | 75 | Confident | 72.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -28.3 | 179.2 | -66.1 | 172.7 | 0 | 0 | 0 | 112.7 | V2465 V2468 A2505 V2506 R2511 K2512 L2522 V2525 | V2465-L2509 HydrophobicContact CG1-CD2 4.38Å; V2468-L2509 HydrophobicContact CG1-CD2 3.82Å; A2505-L2509 HydrophobicContact CB-CD1 4.33Å; A2505-L2509 WeakPolarHBondContact O-CG 3.3Å; A2505-L2509 PolarHBondContact O-N 3.28Å; V2506-L2509 PolarHBondContact O-N 3.27Å; L2509-R2511 PolarHBondContact O-N 2.91Å; L2509-K2512 WeakPolarHBondContact O-CB 3.45Å; L2509-K2512 PolarHBondContact O-N 2.98Å; L2509-L2522 HydrophobicContact CB-CD2 4.32Å; L2509-L2522 HydrophobicContact CD1-CD2 4.4Å; L2509-V2525 HydrophobicContact CD1-CG2 4.11Å |
| 2510 | L | 71.3 | Confident | 72.5 | Confident | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -16.1 | 173.9 | -81.2 | 162.7 | 0 | 0 | 0 | 114.7 | V2506 L2508 K2512 L2522 V2580 V2584 | V2506-L2510 HydrophobicContact CG1-CD1 3.8Å; V2506-L2510 WeakPolarHBondContact O-CB 3.36Å; V2506-L2510 WeakPolarHBondContact O-CD1 3.42Å; V2506-L2510 WeakPolarHBondContact O-CG 3.22Å; V2506-L2510 PolarHBondContact O-N 2.98Å; L2508-L2510 VanDerWaalsContact C-N 3.26Å; L2508-L2510 PolarHBondContact O-N 3.32Å; L2510-K2512 PolarHBondContact O-N 3.05Å; L2510-L2522 HydrophobicContact CD1-CD1 4.41Å; L2510-L2522 HydrophobicContact CD2-CD1 3.65Å; L2510-L2522 HydrophobicContact CG-CD1 3.84Å; L2510-V2580 HydrophobicContact CD1-CG1 3.56Å; L2510-V2584 HydrophobicContact CD1-CG2 3.38Å; L2510-V2584 HydrophobicContact CD2-CB 4.24Å; L2510-V2584 HydrophobicContact CD2-CG1 3.9Å; L2510-V2584 HydrophobicContact CD2-CG2 3.3Å; L2510-V2584 HydrophobicContact CG-CG2 3.94Å |
| 2511 | R | 73.4 | Confident | 72.9 | Confident | 184 Ų | 184 | 43.6 Ų | 43.6 | 69% | 0.694 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -7.6 | 175.7 | -66.5 | 178.9 | 178.9 | 178.5 | -0.5 | 113.1 | L2508 L2509 | L2508-R2511 WeakPolarHBondContact O-CB 3.43Å; L2508-R2511 PolarHBondContact O-N 3.34Å; L2508-R2511 VanDerWaalsContact O-N 3.11Å; L2509-R2511 PolarHBondContact O-N 2.91Å |
| 2512 | K | 67.2 | Low | 73.1 | Confident | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | trans | -65.3 | 139.3 | 178.1 | -92.1 | -170 | 175.8 | -171.3 | 0 | 113.6 | V2468 L2469 E2476 L2509 L2510 A2518 Y2546 | V2468-K2512 VanDerWaalsContact CG1-NZ 3.3Å; V2468-K2512 WeakPolarHBondContact O-CE 3.4Å; V2468-K2512 PolarHBondContact O-NZ 3.47Å; L2469-K2512 HydrophobicContact CD2-CG 4.02Å; E2476-K2512 WeakPolarHBondContact OE1-CD 3.18Å; E2476-K2512 WeakPolarHBondContact OE1-CE 3.33Å; E2476-K2512 IonicContact OE1-NZ 2.78Å; E2476-K2512 PolarHBondContact OE1-NZ 3.24Å; L2509-K2512 WeakPolarHBondContact O-CB 3.45Å; L2509-K2512 PolarHBondContact O-N 2.98Å; L2510-K2512 PolarHBondContact O-N 3.05Å; K2512-A2518 HydrophobicContact CB-CB 4.02Å; K2512-Y2546 PolarHBondContact NZ-OH 3.27Å | ||
| 2513 | Q | 64.9 | Low | 73.5 | Confident | 145 Ų | 145 | 41.3 Ų | 41.3 | 68% | 0.678 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -119.6 | 134.6 | 173.2 | -73.6 | -72.3 | -12.6 | 0 | 0 | 110.6 | ||
| 2514 | P | 64.3 | Low | 73.7 | Confident | 66 Ų | 66 | 39.9 Ų | 39.9 | 43% | 0.429 | 20% | 0.201 | S | C | . | . | S | Bend | cis | -77.6 | 154.3 | -2.6 | 31.7 | -33.4 | 0 | 0 | 0 | 112.6 | A2516 R2517 | P2514-A2516 PolarHBondContact O-N 3.1Å; P2514-R2517 HydrophobicContact CG-CG 4.43Å; P2514-R2517 PolarHBondContact O-N 3.03Å |
| 2515 | I | 67.2 | Low | 73.9 | Confident | 39 Ų | 39 | 34.7 Ų | 34.7 | 20% | 0.2 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.1 | -28 | -173.8 | -62.5 | 165.4 | 0 | 0 | 0 | 113.4 | R2517 A2518 L2519 R2587 V2588 | I2515-R2517 PolarHBondContact O-N 2.9Å; I2515-A2518 WeakPolarHBondContact O-CA 3.37Å; I2515-A2518 WeakPolarHBondContact O-CB 3.49Å; I2515-A2518 PolarHBondContact O-N 3.31Å; I2515-L2519 HydrophobicContact CG2-CD1 4.13Å; I2515-L2519 HydrophobicContact CG2-CG 4.05Å; I2515-L2519 PolarHBondContact O-N 3.43Å; I2515-R2587 HydrophobicContact CD1-CB 4.2Å; I2515-V2588 HydrophobicContact CD1-CG2 3.99Å; I2515-V2588 HydrophobicContact CG2-CG2 3.59Å |
| 2516 | A | 69.6 | Low | 74.1 | Confident | 26 Ų | 26 | 34.3 Ų | 34.3 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -49.5 | -40.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P2514 S2520 A2549 | P2514-A2516 PolarHBondContact O-N 3.1Å; A2516-S2520 PolarHBondContact O-N 3.14Å; A2516-S2520 VanDerWaalsContact O-N 3.09Å; A2516-S2520 PolarHBondContact O-OG 3.29Å; A2516-A2549 HydrophobicContact CB-CB 3.66Å |
| 2517 | R | 73.6 | Confident | 74.1 | Confident | 60 Ų | 60 | 34 Ų | 34 | 23% | 0.226 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.1 | -34.6 | 177.3 | -60 | -160.5 | -166.5 | 152.7 | 8.8 | 113 | P2473 E2476 P2514 I2515 S2520 C2521 | P2473-R2517 VanDerWaalsContact CG-NH1 3.32Å; E2476-R2517 WeakPolarHBondContact OE2-CD 3.4Å; E2476-R2517 IonicContact OE2-CZ 2.94Å; E2476-R2517 IonicContact OE2-NE 2.66Å; E2476-R2517 IonicContact OE2-NH1 3.59Å; E2476-R2517 PolarHBondContact OE2-NH1 3.16Å; P2514-R2517 HydrophobicContact CG-CG 4.43Å; P2514-R2517 PolarHBondContact O-N 3.03Å; I2515-R2517 PolarHBondContact O-N 2.9Å; R2517-S2520 VanDerWaalsContact CA-OG 3.29Å; R2517-S2520 WeakPolarHBondContact CA-OG 3.29Å; R2517-S2520 PolarHBondContact O-N 3.24Å; R2517-S2520 PolarHBondContact O-OG 2.77Å; R2517-C2521 WeakPolarHBondContact O-CB 3.3Å; R2517-C2521 PolarHBondContact O-N 2.99Å |
| 2518 | A | 74.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K2512 I2515 C2521 L2522 | K2512-A2518 HydrophobicContact CB-CB 4.02Å; I2515-A2518 WeakPolarHBondContact O-CA 3.37Å; I2515-A2518 WeakPolarHBondContact O-CB 3.49Å; I2515-A2518 PolarHBondContact O-N 3.31Å; A2518-C2521 PolarHBondContact O-N 3.41Å; A2518-L2522 WeakPolarHBondContact O-CB 3.36Å; A2518-L2522 WeakPolarHBondContact O-CG 3.3Å; A2518-L2522 PolarHBondContact O-N 2.82Å |
| 2519 | L | 76 | Confident | 74.1 | Confident | 24 Ų | 24 | 29.6 Ų | 29.6 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.2 | -70.2 | 173.5 | 0 | 0 | 0 | 112.5 | I2515 L2522 T2523 F2557 | I2515-L2519 HydrophobicContact CG2-CD1 4.13Å; I2515-L2519 HydrophobicContact CG2-CG 4.05Å; I2515-L2519 PolarHBondContact O-N 3.43Å; L2519-L2522 PolarHBondContact O-N 3.01Å; L2519-T2523 PolarHBondContact O-N 3.44Å; L2519-T2523 PolarHBondContact O-OG1 3.27Å; L2519-F2557 HydrophobicContact CD2-CD1 3.9Å; L2519-F2557 HydrophobicContact CD2-CD2 4.04Å; L2519-F2557 HydrophobicContact CD2-CE1 3.63Å; L2519-F2557 HydrophobicContact CD2-CE2 3.79Å; L2519-F2557 HydrophobicContact CD2-CG 4.1Å; L2519-F2557 HydrophobicContact CD2-CZ 3.58Å |
| 2520 | S | 78.9 | Confident | 74 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.1 | -34.3 | 176.6 | 32.1 | 0 | 0 | 0 | 0 | 112.8 | A2516 R2517 T2523 C2524 G2547 | A2516-S2520 PolarHBondContact O-N 3.14Å; A2516-S2520 VanDerWaalsContact O-N 3.09Å; A2516-S2520 PolarHBondContact O-OG 3.29Å; R2517-S2520 VanDerWaalsContact CA-OG 3.29Å; R2517-S2520 WeakPolarHBondContact CA-OG 3.29Å; R2517-S2520 PolarHBondContact O-N 3.24Å; R2517-S2520 PolarHBondContact O-OG 2.77Å; S2520-T2523 VanDerWaalsContact C-OG1 3.26Å; S2520-T2523 WeakPolarHBondContact CA-OG1 3.36Å; S2520-T2523 PolarHBondContact O-OG1 3.32Å; S2520-C2524 PolarHBondContact O-N 3.46Å; S2520-C2524 PolarHBondContact O-SG 2.81Å; S2520-G2547 WeakPolarHBondContact OG-CA 3.38Å; S2520-G2547 PolarHBondContact OG-N 3.12Å |
| 2521 | C | 78.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -45 | 172.4 | -162.8 | 0 | 0 | 0 | 0 | 112 | V2480 R2517 A2518 C2524 V2525 Y2546 | V2480-C2521 WeakPolarHBondContact CG2-SG 3.46Å; R2517-C2521 WeakPolarHBondContact O-CB 3.3Å; R2517-C2521 PolarHBondContact O-N 2.99Å; A2518-C2521 PolarHBondContact O-N 3.41Å; C2521-C2524 PolarHBondContact O-N 3.23Å; C2521-V2525 WeakPolarHBondContact O-CG2 3.29Å; C2521-V2525 PolarHBondContact O-N 3.09Å; C2521-Y2546 HydrophobicContact CB-CE2 3.89Å |
| 2522 | L | 79.3 | Confident | 73.5 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.5 | -38.9 | 178.1 | -75 | 174.7 | 0 | 0 | 0 | 112.5 | V2506 L2509 L2510 A2518 L2519 C2524 V2525 F2526 F2557 | V2506-L2522 HydrophobicContact CB-CD2 4.24Å; V2506-L2522 HydrophobicContact CG1-CD2 4.06Å; V2506-L2522 HydrophobicContact CG2-CD2 3.88Å; L2509-L2522 HydrophobicContact CB-CD2 4.32Å; L2509-L2522 HydrophobicContact CD1-CD2 4.4Å; L2510-L2522 HydrophobicContact CD1-CD1 4.41Å; L2510-L2522 HydrophobicContact CD2-CD1 3.65Å; L2510-L2522 HydrophobicContact CG-CD1 3.84Å; A2518-L2522 WeakPolarHBondContact O-CB 3.36Å; A2518-L2522 WeakPolarHBondContact O-CG 3.3Å; A2518-L2522 PolarHBondContact O-N 2.82Å; L2519-L2522 PolarHBondContact O-N 3.01Å; L2522-C2524 VanDerWaalsContact C-N 3.33Å; L2522-C2524 PolarHBondContact O-N 3.14Å; L2522-V2525 PolarHBondContact O-N 3.5Å; L2522-F2526 HydrophobicContact CB-CD2 4.42Å; L2522-F2526 HydrophobicContact CB-CE2 3.97Å; L2522-F2526 HydrophobicContact CB-CZ 4.37Å; L2522-F2526 HydrophobicContact CD2-CZ 4.14Å; L2522-F2526 WeakPolarHBondContact O-CB 3.5Å; L2522-F2526 WeakPolarHBondContact O-CD2 3.45Å; L2522-F2526 VanDerWaalsContact O-CG 3.22Å; L2522-F2526 WeakPolarHBondContact O-CG 3.36Å; L2522-F2526 PolarHBondContact O-N 3.04Å; L2522-F2557 HydrophobicContact CB-CD2 4.44Å; L2522-F2557 HydrophobicContact CB-CE2 3.83Å; L2522-F2557 HydrophobicContact CD1-CE2 4.14Å |
| 2523 | T | 79.5 | Confident | 73.2 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.4 | -47.8 | 172.7 | 14.9 | 0 | 0 | 0 | 0 | 111 | L2519 S2520 V2525 F2526 L2527 L2556 F2557 T2560 | L2519-T2523 PolarHBondContact O-N 3.44Å; L2519-T2523 PolarHBondContact O-OG1 3.27Å; S2520-T2523 VanDerWaalsContact C-OG1 3.26Å; S2520-T2523 WeakPolarHBondContact CA-OG1 3.36Å; S2520-T2523 PolarHBondContact O-OG1 3.32Å; T2523-V2525 PolarHBondContact O-N 3.1Å; T2523-F2526 PolarHBondContact O-N 3.46Å; T2523-L2527 WeakPolarHBondContact O-CB 3.27Å; T2523-L2527 WeakPolarHBondContact O-CD1 3.35Å; T2523-L2527 VanDerWaalsContact O-CG 3.22Å; T2523-L2527 WeakPolarHBondContact O-CG 3.32Å; T2523-L2527 PolarHBondContact O-N 3.41Å; T2523-L2556 HydrophobicContact CG2-CG 4.42Å; T2523-F2557 HydrophobicContact CG2-CB 3.64Å; T2523-F2557 HydrophobicContact CG2-CD2 4Å; T2523-F2557 HydrophobicContact CG2-CG 4.32Å; T2523-T2560 WeakPolarHBondContact CG2-OG1 3.25Å |
| 2524 | C | 79.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 178 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | V2480 S2520 C2521 L2522 L2527 S2528 | V2480-C2524 HydrophobicContact CG1-CB 3.94Å; S2520-C2524 PolarHBondContact O-N 3.46Å; S2520-C2524 PolarHBondContact O-SG 2.81Å; C2521-C2524 PolarHBondContact O-N 3.23Å; L2522-C2524 VanDerWaalsContact C-N 3.33Å; L2522-C2524 PolarHBondContact O-N 3.14Å; C2524-L2527 PolarHBondContact O-N 3.01Å; C2524-S2528 PolarHBondContact O-N 3.08Å; C2524-S2528 VanDerWaalsContact O-N 3.14Å; C2524-S2528 PolarHBondContact O-OG 3.43Å |
| 2525 | V | 78.3 | Confident | 73.3 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 177.9 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | L2483 L2487 V2502 L2509 C2521 L2522 T2523 L2527 S2528 V2529 | L2483-V2525 HydrophobicContact CD2-CG2 3.93Å; L2487-V2525 HydrophobicContact CD1-CG1 3.97Å; L2487-V2525 HydrophobicContact CD1-CG2 4.42Å; V2502-V2525 HydrophobicContact CG1-CG1 4.26Å; L2509-V2525 HydrophobicContact CD1-CG2 4.11Å; C2521-V2525 WeakPolarHBondContact O-CG2 3.29Å; C2521-V2525 PolarHBondContact O-N 3.09Å; L2522-V2525 PolarHBondContact O-N 3.5Å; T2523-V2525 PolarHBondContact O-N 3.1Å; V2525-L2527 PolarHBondContact O-N 3.44Å; V2525-S2528 VanDerWaalsContact O-CB 3.26Å; V2525-S2528 WeakPolarHBondContact O-CB 3.44Å; V2525-S2528 PolarHBondContact O-N 3.22Å; V2525-V2529 PolarHBondContact O-N 3.32Å |
| 2526 | F | 78.4 | Confident | 73.2 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 178.7 | -63.8 | -35.2 | 0 | 0 | 0 | 112.3 | V2506 L2522 T2523 S2528 V2529 T2530 F2557 A2561 F2564 F2577 | V2506-F2526 HydrophobicContact CG2-CE1 3.91Å; V2506-F2526 HydrophobicContact CG2-CZ 4.14Å; L2522-F2526 HydrophobicContact CB-CD2 4.42Å; L2522-F2526 HydrophobicContact CB-CE2 3.97Å; L2522-F2526 HydrophobicContact CB-CZ 4.37Å; L2522-F2526 HydrophobicContact CD2-CZ 4.14Å; L2522-F2526 WeakPolarHBondContact O-CB 3.5Å; L2522-F2526 WeakPolarHBondContact O-CD2 3.45Å; L2522-F2526 VanDerWaalsContact O-CG 3.22Å; L2522-F2526 WeakPolarHBondContact O-CG 3.36Å; L2522-F2526 PolarHBondContact O-N 3.04Å; T2523-F2526 PolarHBondContact O-N 3.46Å; F2526-S2528 PolarHBondContact O-N 3.4Å; F2526-V2529 PolarHBondContact O-N 3.23Å; F2526-T2530 PolarHBondContact O-N 3.41Å; F2526-F2557 HydrophobicContact CD2-CE2 4.47Å; F2526-F2557 AromaticContact CE2-CE2 3.94Å; F2526-F2557 HydrophobicContact CE2-CE2 3.94Å; F2526-A2561 HydrophobicContact CD2-CB 4.49Å; F2526-A2561 HydrophobicContact CE2-CB 4.32Å; F2526-F2564 HydrophobicContact CB-CB 4.47Å; F2526-F2564 HydrophobicContact CD1-CB 4.24Å; F2526-F2564 HydrophobicContact CD1-CD1 4.01Å; F2526-F2564 HydrophobicContact CD1-CD2 4.16Å; F2526-F2564 HydrophobicContact CD1-CE1 4.43Å; F2526-F2564 AromaticContact CD1-CG 3.86Å; F2526-F2564 HydrophobicContact CD1-CG 3.86Å; F2526-F2564 AromaticContact CE1-CD1 3.99Å; F2526-F2564 HydrophobicContact CE1-CD1 3.99Å; F2526-F2564 HydrophobicContact CE1-CE1 4.21Å; F2526-F2564 HydrophobicContact CE1-CG 4.32Å; F2526-F2564 HydrophobicContact CG-CB 4.38Å; F2526-F2564 HydrophobicContact CG-CG 4.47Å; F2526-F2577 AromaticContact CE1-CE2 3.73Å; F2526-F2577 HydrophobicContact CE1-CE2 3.73Å; F2526-F2577 AromaticContact CE1-CZ 3.98Å; F2526-F2577 HydrophobicContact CE1-CZ 3.98Å; F2526-F2577 HydrophobicContact CE2-CZ 4.24Å; F2526-F2577 AromaticContact CZ-CE2 3.58Å; F2526-F2577 HydrophobicContact CZ-CE2 3.58Å; F2526-F2577 AromaticContact CZ-CZ 3.62Å; F2526-F2577 HydrophobicContact CZ-CZ 3.62Å |
| 2527 | L | 77.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -22.6 | 174.2 | -73.5 | 166.8 | 0 | 0 | 0 | 113.2 | T2523 C2524 V2525 T2530 M2535 L2538 R2539 A2542 T2560 | T2523-L2527 WeakPolarHBondContact O-CB 3.27Å; T2523-L2527 WeakPolarHBondContact O-CD1 3.35Å; T2523-L2527 VanDerWaalsContact O-CG 3.22Å; T2523-L2527 WeakPolarHBondContact O-CG 3.32Å; T2523-L2527 PolarHBondContact O-N 3.41Å; C2524-L2527 PolarHBondContact O-N 3.01Å; V2525-L2527 PolarHBondContact O-N 3.44Å; L2527-T2530 PolarHBondContact O-OG1 3.5Å; L2527-M2535 HydrophobicContact CD2-CB 4.26Å; L2527-M2535 HydrophobicContact CD2-CE 3.74Å; L2527-M2535 HydrophobicContact CD2-SD 4.1Å; L2527-L2538 HydrophobicContact CD1-CB 4.18Å; L2527-L2538 HydrophobicContact CD2-CB 4.02Å; L2527-R2539 HydrophobicContact CB-CB 4.21Å; L2527-A2542 HydrophobicContact CD1-CB 3.99Å; L2527-T2560 HydrophobicContact CD1-CG2 4.2Å; L2527-T2560 HydrophobicContact CD2-CG2 3.45Å; L2527-T2560 VanDerWaalsContact CD2-CG2 3.45Å; L2527-T2560 HydrophobicContact CG-CG2 3.63Å |
| 2528 | S | 75.2 | Confident | 73 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -78.8 | -23.9 | 179.4 | -50.6 | 0 | 0 | 0 | 0 | 113.2 | C2484 S2488 C2524 V2525 F2526 | C2484-S2528 WeakPolarHBondContact CB-OG 3.2Å; C2484-S2528 PolarHBondContact SG-OG 2.95Å; S2488-S2528 WeakPolarHBondContact CA-O 3.43Å; C2524-S2528 PolarHBondContact O-N 3.08Å; C2524-S2528 VanDerWaalsContact O-N 3.14Å; C2524-S2528 PolarHBondContact O-OG 3.43Å; V2525-S2528 VanDerWaalsContact O-CB 3.26Å; V2525-S2528 WeakPolarHBondContact O-CB 3.44Å; V2525-S2528 PolarHBondContact O-N 3.22Å; F2526-S2528 PolarHBondContact O-N 3.4Å |
| 2529 | V | 74.6 | Confident | 72.9 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -96.6 | -17.4 | -175.3 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | L2499 V2502 V2525 F2526 F2564 | L2499-V2529 HydrophobicContact CD2-CG1 4.43Å; V2502-V2529 HydrophobicContact CG2-CG2 3.81Å; V2525-V2529 PolarHBondContact O-N 3.32Å; F2526-V2529 PolarHBondContact O-N 3.23Å; V2529-F2564 HydrophobicContact CB-CD2 4.43Å; V2529-F2564 HydrophobicContact CB-CE2 4.19Å; V2529-F2564 HydrophobicContact CG1-CD2 4.46Å; V2529-F2564 HydrophobicContact CG1-CE2 3.93Å |
| 2530 | T | 73.2 | Confident | 72.5 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | trans | -72 | 129.3 | 178.5 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | F2526 L2527 D2532 M2535 | F2526-T2530 PolarHBondContact O-N 3.41Å; L2527-T2530 PolarHBondContact O-OG1 3.5Å; T2530-D2532 VanDerWaalsContact C-N 3.25Å; T2530-D2532 PolarHBondContact O-N 3.34Å; T2530-M2535 HydrophobicContact CG2-CE 4.41Å | ||
| 2531 | R | 65 | Low | 72 | Confident | 186 Ų | 186 | 29.1 Ų | 29.1 | 70% | 0.702 | 14% | 0.143 | S | C | * | . | trans | -73.4 | -6.5 | -178.5 | -67.8 | -175.5 | 176 | 169.9 | 1.3 | 115.5 | ||||
| 2532 | D | 67.7 | Low | 71.6 | Confident | 64 Ų | 64 | 29.5 Ų | 29.5 | 34% | 0.342 | 15% | 0.146 | S | C | . | . | trans | -82.1 | 120.8 | -171.3 | -119.7 | -28.5 | 0 | 0 | 0 | 111.5 | T2530 W2534 M2535 | T2530-D2532 VanDerWaalsContact C-N 3.25Å; T2530-D2532 PolarHBondContact O-N 3.34Å; D2532-W2534 HydrophobicContact CB-CZ2 4.41Å; D2532-W2534 PolarHBondContact O-N 3Å; D2532-W2534 VanDerWaalsContact O-N 3.12Å; D2532-W2534 PolarHBondContact OD1-NE1 3.14Å; D2532-W2534 WeakPolarHBondContact OD2-CZ2 3.41Å; D2532-W2534 PolarHBondContact OD2-NE1 3.19Å; D2532-M2535 HydrophobicContact CB-CB 4.28Å; D2532-M2535 HydrophobicContact CB-CG 3.94Å; D2532-M2535 WeakPolarHBondContact O-CB 3.39Å; D2532-M2535 PolarHBondContact O-N 3.05Å | ||
| 2533 | P | 62.6 | Low | 71.2 | Confident | 89 Ų | 89 | 30.4 Ų | 30.4 | 58% | 0.578 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -57.8 | -33.2 | -172.9 | -24.2 | 31.4 | 0 | 0 | 0 | 113.8 | T2536 | P2533-T2536 PolarHBondContact O-N 2.97Å; P2533-T2536 PolarHBondContact O-OG1 2.99Å |
| 2534 | W | 63.6 | Low | 70.6 | Confident | 74 Ų | 74 | 32.4 Ų | 32.4 | 28% | 0.28 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -75.2 | -23.7 | 179.4 | 58.6 | -83.8 | 0 | 0 | 0 | 112.9 | I1691 D2532 S2537 F2559 | I1691-W2534 HydrophobicContact CD1-CE3 3.7Å; I1691-W2534 HydrophobicContact CD1-CZ3 3.67Å; D2532-W2534 HydrophobicContact CB-CZ2 4.41Å; D2532-W2534 PolarHBondContact O-N 3Å; D2532-W2534 VanDerWaalsContact O-N 3.12Å; D2532-W2534 PolarHBondContact OD1-NE1 3.14Å; D2532-W2534 WeakPolarHBondContact OD2-CZ2 3.41Å; D2532-W2534 PolarHBondContact OD2-NE1 3.19Å; W2534-S2537 PolarHBondContact O-N 3.39Å; W2534-S2537 PolarHBondContact O-OG 3.34Å; W2534-F2559 HydrophobicContact CH2-CE1 4.18Å; W2534-F2559 AromaticContact CH2-CZ 3.95Å; W2534-F2559 HydrophobicContact CH2-CZ 3.95Å; W2534-F2559 HydrophobicContact CZ3-CE1 4.35Å; W2534-F2559 HydrophobicContact CZ3-CZ 4.46Å |
| 2535 | M | 67.2 | Low | 70 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.2 | -28.9 | 175.6 | -71.3 | -74.3 | -89.4 | 0 | 0 | 112 | L2527 T2530 D2532 S2537 L2538 R2539 F2559 T2560 Q2563 | L2527-M2535 HydrophobicContact CD2-CB 4.26Å; L2527-M2535 HydrophobicContact CD2-CE 3.74Å; L2527-M2535 HydrophobicContact CD2-SD 4.1Å; T2530-M2535 HydrophobicContact CG2-CE 4.41Å; D2532-M2535 HydrophobicContact CB-CB 4.28Å; D2532-M2535 HydrophobicContact CB-CG 3.94Å; D2532-M2535 WeakPolarHBondContact O-CB 3.39Å; D2532-M2535 PolarHBondContact O-N 3.05Å; M2535-S2537 PolarHBondContact O-N 2.92Å; M2535-L2538 WeakPolarHBondContact O-CB 3.22Å; M2535-L2538 PolarHBondContact O-N 2.75Å; M2535-L2538 VanDerWaalsContact O-N 3.09Å; M2535-L2538 HydrophobicContact SD-CD1 3.78Å; M2535-R2539 PolarHBondContact O-N 3.37Å; M2535-F2559 HydrophobicContact CE-CD1 4.13Å; M2535-F2559 HydrophobicContact CE-CE1 3.61Å; M2535-F2559 HydrophobicContact SD-CE1 3.67Å; M2535-T2560 HydrophobicContact CE-CG2 4.1Å; M2535-Q2563 HydrophobicContact CE-CB 4.37Å; M2535-Q2563 HydrophobicContact CE-CG 4.13Å |
| 2536 | T | 65.5 | Low | 69.7 | Low | 57 Ų | 57 | 36.4 Ų | 36.4 | 35% | 0.35 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.4 | -28.1 | 173.7 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | P2533 L2538 R2539 | P2533-T2536 PolarHBondContact O-N 2.97Å; P2533-T2536 PolarHBondContact O-OG1 2.99Å; T2536-L2538 VanDerWaalsContact C-N 3.34Å; T2536-L2538 PolarHBondContact O-N 3.28Å; T2536-R2539 VanDerWaalsContact O-CB 3.24Å; T2536-R2539 WeakPolarHBondContact O-CB 3.43Å; T2536-R2539 PolarHBondContact O-N 2.72Å |
| 2537 | S | 66.5 | Low | 69.1 | Low | 16 Ų | 16 | 37.4 Ų | 37.4 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.3 | -33.3 | 173.6 | 75.1 | 0 | 0 | 0 | 0 | 113.1 | C1712 W2534 M2535 R2539 E2540 | C1712-S2537 WeakPolarHBondContact O-CB 3.22Å; W2534-S2537 PolarHBondContact O-N 3.39Å; W2534-S2537 PolarHBondContact O-OG 3.34Å; M2535-S2537 PolarHBondContact O-N 2.92Å; S2537-R2539 VanDerWaalsContact C-N 3.28Å; S2537-R2539 PolarHBondContact O-N 3.35Å; S2537-E2540 PolarHBondContact O-N 3.1Å |
| 2538 | L | 70.8 | Confident | 68.5 | Low | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.4 | -23.2 | 176.2 | -73.3 | 168.6 | 0 | 0 | 0 | 112.3 | I1691 L2527 M2535 T2536 E2540 V2541 A2542 L2556 | I1691-L2538 HydrophobicContact CD1-CD1 3.89Å; I1691-L2538 HydrophobicContact CD1-CG 4.49Å; I1691-L2538 HydrophobicContact CG2-CD2 4.32Å; L2527-L2538 HydrophobicContact CD1-CB 4.18Å; L2527-L2538 HydrophobicContact CD2-CB 4.02Å; M2535-L2538 WeakPolarHBondContact O-CB 3.22Å; M2535-L2538 PolarHBondContact O-N 2.75Å; M2535-L2538 VanDerWaalsContact O-N 3.09Å; M2535-L2538 HydrophobicContact SD-CD1 3.78Å; T2536-L2538 VanDerWaalsContact C-N 3.34Å; T2536-L2538 PolarHBondContact O-N 3.28Å; L2538-E2540 VanDerWaalsContact C-N 3.33Å; L2538-E2540 PolarHBondContact O-N 3.21Å; L2538-V2541 PolarHBondContact O-N 3.11Å; L2538-A2542 WeakPolarHBondContact O-CB 3.29Å; L2538-A2542 PolarHBondContact O-N 3.17Å; L2538-L2556 HydrophobicContact CD1-CD1 4.2Å; L2538-L2556 HydrophobicContact CD2-CD1 4.41Å |
| 2539 | R | 72.6 | Confident | 68 | Low | 39 Ų | 39 | 44 Ų | 44 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 175.2 | -173.7 | -172.9 | 68.7 | -170.3 | -1.9 | 111.2 | L2527 M2535 T2536 S2537 V2541 A2542 L2543 | L2527-R2539 HydrophobicContact CB-CB 4.21Å; M2535-R2539 PolarHBondContact O-N 3.37Å; T2536-R2539 VanDerWaalsContact O-CB 3.24Å; T2536-R2539 WeakPolarHBondContact O-CB 3.43Å; T2536-R2539 PolarHBondContact O-N 2.72Å; S2537-R2539 VanDerWaalsContact C-N 3.28Å; S2537-R2539 PolarHBondContact O-N 3.35Å; R2539-V2541 VanDerWaalsContact C-N 3.32Å; R2539-V2541 PolarHBondContact O-N 3.2Å; R2539-A2542 PolarHBondContact O-N 2.95Å; R2539-L2543 HydrophobicContact CG-CD1 4.1Å; R2539-L2543 WeakPolarHBondContact O-CB 3.19Å; R2539-L2543 WeakPolarHBondContact O-CG 2.97Å; R2539-L2543 PolarHBondContact O-N 3.01Å |
| 2540 | E | 67.6 | Low | 67.4 | Low | 26 Ų | 26 | 45.4 Ų | 45.4 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.1 | -34.1 | 179.8 | -58.2 | -59.3 | 142.5 | 0 | 0 | 111.3 | F1708 K1711 S2537 L2538 G2544 | F1708-E2540 HydrophobicContact CD1-CB 4.47Å; K1711-E2540 HydrophobicContact CB-CG 4.35Å; S2537-E2540 PolarHBondContact O-N 3.1Å; L2538-E2540 VanDerWaalsContact C-N 3.33Å; L2538-E2540 PolarHBondContact O-N 3.21Å; E2540-G2544 PolarHBondContact O-N 3.15Å |
| 2541 | V | 68.5 | Low | 66.9 | Low | 18 Ų | 18 | 49.5 Ų | 49.5 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66 | -43.8 | 172 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | C1712 L2538 R2539 G2544 R2545 | C1712-V2541 HydrophobicContact CB-CG2 4.4Å; C1712-V2541 WeakPolarHBondContact SG-CG2 3.32Å; L2538-V2541 PolarHBondContact O-N 3.11Å; R2539-V2541 VanDerWaalsContact C-N 3.32Å; R2539-V2541 PolarHBondContact O-N 3.2Å; V2541-G2544 PolarHBondContact O-N 3.36Å; V2541-R2545 PolarHBondContact O-N 3.16Å; V2541-R2545 VanDerWaalsContact O-N 3.14Å |
| 2542 | A | 70.5 | Confident | 67 | Low | 8 Ų | 8 | 42.7 Ų | 42.7 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | L2527 L2538 R2539 R2545 Y2546 | L2527-A2542 HydrophobicContact CD1-CB 3.99Å; L2538-A2542 WeakPolarHBondContact O-CB 3.29Å; L2538-A2542 PolarHBondContact O-N 3.17Å; R2539-A2542 PolarHBondContact O-N 2.95Å; A2542-R2545 CarbonylContact O-C 3.58Å; A2542-R2545 PolarHBondContact O-N 2.84Å; A2542-Y2546 PolarHBondContact O-N 2.98Å; A2542-Y2546 VanDerWaalsContact O-N 3.11Å |
| 2543 | L | 71.5 | Confident | 67 | Low | 22 Ų | 22 | 40.7 Ų | 40.7 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 173.5 | -79 | 165.3 | 0 | 0 | 0 | 111.8 | V2480 R2539 R2545 Y2546 | V2480-L2543 HydrophobicContact CG1-CD2 4.11Å; R2539-L2543 HydrophobicContact CG-CD1 4.1Å; R2539-L2543 WeakPolarHBondContact O-CB 3.19Å; R2539-L2543 WeakPolarHBondContact O-CG 2.97Å; R2539-L2543 PolarHBondContact O-N 3.01Å; L2543-R2545 PolarHBondContact O-N 3.46Å; L2543-Y2546 WeakPolarHBondContact O-CB 2.89Å; L2543-Y2546 PolarHBondContact O-N 2.95Å |
| 2544 | G | 65.4 | Low | 67.3 | Low | 49 Ų | 49 | 38.5 Ų | 38.5 | 51% | 0.505 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.1 | -23.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | E2540 V2541 | E2540-G2544 PolarHBondContact O-N 3.15Å; V2541-G2544 PolarHBondContact O-N 3.36Å |
| 2545 | R | 67.3 | Low | 67.5 | Low | 55 Ų | 55 | 36.9 Ų | 36.9 | 21% | 0.208 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 17.1 | 178.2 | -62.8 | -178.3 | 66.4 | 91 | 0.6 | 113.5 | V2541 A2542 L2543 G2547 R2548 D2553 | V2541-R2545 PolarHBondContact O-N 3.16Å; V2541-R2545 VanDerWaalsContact O-N 3.14Å; A2542-R2545 CarbonylContact O-C 3.58Å; A2542-R2545 PolarHBondContact O-N 2.84Å; L2543-R2545 PolarHBondContact O-N 3.46Å; R2545-G2547 PolarHBondContact O-N 2.94Å; R2545-R2548 WeakPolarHBondContact O-CB 3.38Å; R2545-R2548 PolarHBondContact O-N 3.13Å; R2545-R2548 VanDerWaalsContact O-N 3.09Å; R2545-D2553 IonicContact CZ-OD1 3.02Å; R2545-D2553 IonicContact NE-OD1 3.52Å; R2545-D2553 PolarHBondContact NE-OD1 3.4Å; R2545-D2553 IonicContact NH2-OD1 3.51Å; R2545-D2553 IonicContact NH2-OD2 3.56Å |
| 2546 | Y | 72.3 | Confident | 67.8 | Low | 30 Ų | 30 | 37 Ų | 37 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 128 | -175.6 | -169.8 | -92.1 | 0 | 0 | 0 | 112.4 | E2476 P2477 V2480 K2512 C2521 A2542 L2543 | E2476-Y2546 HydrophobicContact CB-CD1 4.43Å; E2476-Y2546 HydrophobicContact CB-CE1 3.57Å; E2476-Y2546 HydrophobicContact CG-CE1 4.48Å; P2477-Y2546 HydrophobicContact CB-CD1 4.29Å; P2477-Y2546 HydrophobicContact CB-CG 4.13Å; P2477-Y2546 HydrophobicContact CG-CD1 4.49Å; V2480-Y2546 HydrophobicContact CB-CE2 4.23Å; V2480-Y2546 HydrophobicContact CG1-CE2 4.09Å; V2480-Y2546 HydrophobicContact CG2-CE2 3.86Å; K2512-Y2546 PolarHBondContact NZ-OH 3.27Å; C2521-Y2546 HydrophobicContact CB-CE2 3.89Å; A2542-Y2546 PolarHBondContact O-N 2.98Å; A2542-Y2546 VanDerWaalsContact O-N 3.11Å; L2543-Y2546 WeakPolarHBondContact O-CB 2.89Å; L2543-Y2546 PolarHBondContact O-N 2.95Å |
| 2547 | G | 66.4 | Low | 68.2 | Low | 25 Ų | 25 | 34.8 Ų | 34.8 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 0.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | S2520 R2545 | S2520-G2547 WeakPolarHBondContact OG-CA 3.38Å; S2520-G2547 PolarHBondContact OG-N 3.12Å; R2545-G2547 PolarHBondContact O-N 2.94Å |
| 2548 | R | 65.2 | Low | 68.5 | Low | 95 Ų | 95 | 35.8 Ų | 35.8 | 36% | 0.358 | 21% | 0.207 | S | C | . | . | trans | -85.5 | 147.3 | 168.5 | -59.3 | -171 | -177.5 | -155.3 | 1 | 110.4 | R2545 | R2545-R2548 WeakPolarHBondContact O-CB 3.38Å; R2545-R2548 PolarHBondContact O-N 3.13Å; R2545-R2548 VanDerWaalsContact O-N 3.09Å | ||
| 2549 | A | 63.6 | Low | 68.7 | Low | 48 Ų | 48 | 37.2 Ų | 37.2 | 40% | 0.397 | 21% | 0.213 | S | C | . | . | trans | -131.4 | 43.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A2516 Q2554 | A2516-A2549 HydrophobicContact CB-CB 3.66Å; A2549-Q2554 PolarHBondContact O-NE2 3.26Å; A2549-Q2554 VanDerWaalsContact O-NE2 3.14Å | ||
| 2550 | A | 63.4 | Low | 68.8 | Low | 41 Ų | 41 | 35.4 Ų | 35.4 | 34% | 0.339 | 21% | 0.206 | S | C | . | . | trans | -67.6 | 168.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F2552 D2553 Q2554 | A2550-F2552 PolarHBondContact O-N 3.45Å; A2550-D2553 VanDerWaalsContact CB-OD2 3.31Å; A2550-D2553 WeakPolarHBondContact CB-OD2 3.4Å; A2550-D2553 PolarHBondContact N-OD2 3.32Å; A2550-D2553 PolarHBondContact O-N 3.08Å; A2550-Q2554 PolarHBondContact O-N 3.43Å; A2550-Q2554 VanDerWaalsContact O-N 3.12Å | ||
| 2551 | T | 61 | Low | 69.1 | Low | 90 Ų | 90 | 34.5 Ų | 34.5 | 55% | 0.552 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -53.2 | -43.4 | 177.1 | 44.3 | 0 | 0 | 0 | 0 | 112.1 | D2553 Q2554 D2555 | T2551-D2553 PolarHBondContact O-N 3.08Å; T2551-Q2554 PolarHBondContact O-N 2.98Å; T2551-D2555 PolarHBondContact O-N 2.94Å |
| 2552 | F | 68.5 | Low | 69.3 | Low | 42 Ų | 42 | 40.5 Ų | 40.5 | 18% | 0.184 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 174.1 | 174.7 | -103 | 0 | 0 | 0 | 113.4 | F1686 L1694 A2550 Q2554 D2555 L2556 | F1686-F2552 HydrophobicContact CE1-CE2 4Å; F1686-F2552 HydrophobicContact CZ-CE2 4.23Å; L1694-F2552 HydrophobicContact CD1-CD2 4.08Å; L1694-F2552 HydrophobicContact CD1-CE2 3.38Å; L1694-F2552 HydrophobicContact CD1-CZ 4.18Å; L1694-F2552 HydrophobicContact CD2-CD2 4.13Å; L1694-F2552 HydrophobicContact CD2-CE2 3.57Å; L1694-F2552 HydrophobicContact CD2-CZ 3.77Å; L1694-F2552 HydrophobicContact CG-CE2 4.11Å; A2550-F2552 PolarHBondContact O-N 3.45Å; F2552-Q2554 VanDerWaalsContact C-N 3.28Å; F2552-Q2554 PolarHBondContact O-N 3.34Å; F2552-D2555 PolarHBondContact O-N 2.98Å; F2552-L2556 HydrophobicContact CE1-CD2 4.35Å; F2552-L2556 HydrophobicContact CZ-CD2 4.46Å; F2552-L2556 WeakPolarHBondContact O-CB 3.49Å; F2552-L2556 PolarHBondContact O-N 3.07Å |
| 2553 | D | 67.3 | Low | 69.3 | Low | 23 Ų | 23 | 42.5 Ų | 42.5 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.9 | -31.9 | -176.8 | -50.8 | -49.5 | 0 | 0 | 0 | 110.8 | R2545 A2550 T2551 F2557 | R2545-D2553 IonicContact CZ-OD1 3.02Å; R2545-D2553 IonicContact NE-OD1 3.52Å; R2545-D2553 PolarHBondContact NE-OD1 3.4Å; R2545-D2553 IonicContact NH2-OD1 3.51Å; R2545-D2553 IonicContact NH2-OD2 3.56Å; A2550-D2553 VanDerWaalsContact CB-OD2 3.31Å; A2550-D2553 WeakPolarHBondContact CB-OD2 3.4Å; A2550-D2553 PolarHBondContact N-OD2 3.32Å; A2550-D2553 PolarHBondContact O-N 3.08Å; T2551-D2553 PolarHBondContact O-N 3.08Å; D2553-F2557 PolarHBondContact O-N 2.93Å; D2553-F2557 VanDerWaalsContact O-N 3.15Å |
| 2554 | Q | 68.9 | Low | 69.4 | Low | 43 Ų | 43 | 41.4 Ų | 41.4 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.2 | -43.9 | 174.1 | -65.4 | 177.1 | 28.4 | 0 | 0 | 112.1 | A2549 A2550 T2551 F2552 L2556 F2557 V2558 S2591 L2594 | A2549-Q2554 PolarHBondContact O-NE2 3.26Å; A2549-Q2554 VanDerWaalsContact O-NE2 3.14Å; A2550-Q2554 PolarHBondContact O-N 3.43Å; A2550-Q2554 VanDerWaalsContact O-N 3.12Å; T2551-Q2554 PolarHBondContact O-N 2.98Å; F2552-Q2554 VanDerWaalsContact C-N 3.28Å; F2552-Q2554 PolarHBondContact O-N 3.34Å; Q2554-L2556 VanDerWaalsContact C-N 3.34Å; Q2554-F2557 PolarHBondContact O-N 3.38Å; Q2554-V2558 WeakPolarHBondContact O-CG2 3.38Å; Q2554-V2558 PolarHBondContact O-N 3.29Å; Q2554-S2591 PolarHBondContact OE1-OG 2.67Å; Q2554-S2591 VanDerWaalsContact OE1-OG 3.11Å; Q2554-L2594 HydrophobicContact CB-CD1 4.32Å |
| 2555 | D | 67.3 | Low | 69.8 | Low | 39 Ų | 39 | 42.1 Ų | 42.1 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -37.7 | 178.5 | -69 | -27.3 | 0 | 0 | 0 | 111.3 | F1686 T2551 F2552 V2558 F2559 | F1686-D2555 HydrophobicContact CE2-CB 4.47Å; T2551-D2555 PolarHBondContact O-N 2.94Å; F2552-D2555 PolarHBondContact O-N 2.98Å; D2555-V2558 PolarHBondContact O-N 2.84Å; D2555-F2559 WeakPolarHBondContact O-CB 3.15Å; D2555-F2559 PolarHBondContact O-N 3.13Å |
| 2556 | L | 73.1 | Confident | 69.9 | Low | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 173.8 | -174.9 | 65.4 | 0 | 0 | 0 | 112.1 | F1686 T2523 L2538 F2552 Q2554 F2559 T2560 | F1686-L2556 HydrophobicContact CE1-CD1 4.11Å; F1686-L2556 HydrophobicContact CZ-CB 4.28Å; F1686-L2556 HydrophobicContact CZ-CD1 4.14Å; T2523-L2556 HydrophobicContact CG2-CG 4.42Å; L2538-L2556 HydrophobicContact CD1-CD1 4.2Å; L2538-L2556 HydrophobicContact CD2-CD1 4.41Å; F2552-L2556 HydrophobicContact CE1-CD2 4.35Å; F2552-L2556 HydrophobicContact CZ-CD2 4.46Å; F2552-L2556 WeakPolarHBondContact O-CB 3.49Å; F2552-L2556 PolarHBondContact O-N 3.07Å; Q2554-L2556 VanDerWaalsContact C-N 3.34Å; L2556-F2559 PolarHBondContact O-N 3.07Å; L2556-T2560 HydrophobicContact CD1-CG2 4.38Å; L2556-T2560 WeakPolarHBondContact O-CB 3.5Å; L2556-T2560 VanDerWaalsContact O-CG2 3.28Å; L2556-T2560 WeakPolarHBondContact O-CG2 3.49Å; L2556-T2560 PolarHBondContact O-N 2.92Å; L2556-T2560 PolarHBondContact O-OG1 3.45Å |
| 2557 | F | 74.4 | Confident | 69.8 | Low | 9 Ų | 9 | 45.3 Ų | 45.3 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 174 | 174.1 | -96.6 | 0 | 0 | 0 | 112.5 | L2519 L2522 T2523 F2526 D2553 Q2554 F2559 T2560 A2561 | L2519-F2557 HydrophobicContact CD2-CD1 3.9Å; L2519-F2557 HydrophobicContact CD2-CD2 4.04Å; L2519-F2557 HydrophobicContact CD2-CE1 3.63Å; L2519-F2557 HydrophobicContact CD2-CE2 3.79Å; L2519-F2557 HydrophobicContact CD2-CG 4.1Å; L2519-F2557 HydrophobicContact CD2-CZ 3.58Å; L2522-F2557 HydrophobicContact CB-CD2 4.44Å; L2522-F2557 HydrophobicContact CB-CE2 3.83Å; L2522-F2557 HydrophobicContact CD1-CE2 4.14Å; T2523-F2557 HydrophobicContact CG2-CB 3.64Å; T2523-F2557 HydrophobicContact CG2-CD2 4Å; T2523-F2557 HydrophobicContact CG2-CG 4.32Å; F2526-F2557 HydrophobicContact CD2-CE2 4.47Å; F2526-F2557 AromaticContact CE2-CE2 3.94Å; F2526-F2557 HydrophobicContact CE2-CE2 3.94Å; D2553-F2557 PolarHBondContact O-N 2.93Å; D2553-F2557 VanDerWaalsContact O-N 3.15Å; Q2554-F2557 PolarHBondContact O-N 3.38Å; F2557-F2559 VanDerWaalsContact C-N 3.29Å; F2557-F2559 PolarHBondContact O-N 3.38Å; F2557-T2560 WeakPolarHBondContact CA-OG1 3.29Å; F2557-T2560 PolarHBondContact O-N 2.9Å; F2557-T2560 PolarHBondContact O-OG1 2.86Å; F2557-A2561 VanDerWaalsContact O-CB 3.27Å; F2557-A2561 WeakPolarHBondContact O-CB 3.43Å; F2557-A2561 PolarHBondContact O-N 3.39Å |
| 2558 | V | 73.4 | Confident | 69.9 | Low | 37 Ų | 37 | 45 Ų | 45 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | Q2554 D2555 R2562 L2594 | Q2554-V2558 WeakPolarHBondContact O-CG2 3.38Å; Q2554-V2558 PolarHBondContact O-N 3.29Å; D2555-V2558 PolarHBondContact O-N 2.84Å; V2558-R2562 VanDerWaalsContact O-CB 3.31Å; V2558-R2562 WeakPolarHBondContact O-CB 3.35Å; V2558-R2562 PolarHBondContact O-N 3.32Å; V2558-L2594 HydrophobicContact CG2-CD1 4.37Å; V2558-L2594 HydrophobicContact CG2-CD2 3.96Å; V2558-L2594 HydrophobicContact CG2-CG 3.9Å |
| 2559 | F | 75.3 | Confident | 69.8 | Low | 39 Ų | 39 | 46.3 Ų | 46.3 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 178.1 | 178.4 | -108.4 | 0 | 0 | 0 | 113 | F1686 W2534 M2535 D2555 L2556 F2557 R2562 Q2563 | F1686-F2559 HydrophobicContact CB-CD1 3.87Å; F1686-F2559 HydrophobicContact CB-CD2 3.96Å; F1686-F2559 HydrophobicContact CB-CE1 3.64Å; F1686-F2559 HydrophobicContact CB-CE2 3.76Å; F1686-F2559 HydrophobicContact CB-CG 4.02Å; F1686-F2559 HydrophobicContact CB-CZ 3.6Å; F1686-F2559 HydrophobicContact CD2-CB 3.61Å; F1686-F2559 AromaticContact CD2-CD1 3.87Å; F1686-F2559 HydrophobicContact CD2-CD1 3.87Å; F1686-F2559 AromaticContact CD2-CD2 3.82Å; F1686-F2559 HydrophobicContact CD2-CD2 3.82Å; F1686-F2559 HydrophobicContact CD2-CE2 4.49Å; F1686-F2559 AromaticContact CD2-CG 3.47Å; F1686-F2559 HydrophobicContact CD2-CG 3.47Å; F1686-F2559 VanDerWaalsContact CD2-CG 3.47Å; F1686-F2559 HydrophobicContact CE2-CB 3.85Å; F1686-F2559 HydrophobicContact CE2-CG 4.2Å; F1686-F2559 AromaticContact CG-CD1 3.98Å; F1686-F2559 HydrophobicContact CG-CD1 3.98Å; F1686-F2559 HydrophobicContact CG-CD2 4.32Å; F1686-F2559 HydrophobicContact CG-CE1 4.24Å; F1686-F2559 HydrophobicContact CG-CG 4.01Å; W2534-F2559 HydrophobicContact CH2-CE1 4.18Å; W2534-F2559 AromaticContact CH2-CZ 3.95Å; W2534-F2559 HydrophobicContact CH2-CZ 3.95Å; W2534-F2559 HydrophobicContact CZ3-CE1 4.35Å; W2534-F2559 HydrophobicContact CZ3-CZ 4.46Å; M2535-F2559 HydrophobicContact CE-CD1 4.13Å; M2535-F2559 HydrophobicContact CE-CE1 3.61Å; M2535-F2559 HydrophobicContact SD-CE1 3.67Å; D2555-F2559 WeakPolarHBondContact O-CB 3.15Å; D2555-F2559 PolarHBondContact O-N 3.13Å; L2556-F2559 PolarHBondContact O-N 3.07Å; F2557-F2559 VanDerWaalsContact C-N 3.29Å; F2557-F2559 PolarHBondContact O-N 3.38Å; F2559-R2562 PolarHBondContact O-N 2.87Å; F2559-Q2563 HydrophobicContact CE1-CG 4.33Å; F2559-Q2563 HydrophobicContact CE2-CG 4.4Å; F2559-Q2563 HydrophobicContact CZ-CG 4.08Å; F2559-Q2563 PolarHBondContact O-N 3.5Å |
| 2560 | T | 74.4 | Confident | 69.9 | Low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.2 | -39.2 | -179.1 | 51 | 0 | 0 | 0 | 0 | 112.2 | T2523 L2527 M2535 L2556 F2557 R2562 Q2563 F2564 | T2523-T2560 WeakPolarHBondContact CG2-OG1 3.25Å; L2527-T2560 HydrophobicContact CD1-CG2 4.2Å; L2527-T2560 HydrophobicContact CD2-CG2 3.45Å; L2527-T2560 VanDerWaalsContact CD2-CG2 3.45Å; L2527-T2560 HydrophobicContact CG-CG2 3.63Å; M2535-T2560 HydrophobicContact CE-CG2 4.1Å; L2556-T2560 HydrophobicContact CD1-CG2 4.38Å; L2556-T2560 WeakPolarHBondContact O-CB 3.5Å; L2556-T2560 VanDerWaalsContact O-CG2 3.28Å; L2556-T2560 WeakPolarHBondContact O-CG2 3.49Å; L2556-T2560 PolarHBondContact O-N 2.92Å; L2556-T2560 PolarHBondContact O-OG1 3.45Å; F2557-T2560 WeakPolarHBondContact CA-OG1 3.29Å; F2557-T2560 PolarHBondContact O-N 2.9Å; F2557-T2560 PolarHBondContact O-OG1 2.86Å; T2560-R2562 VanDerWaalsContact C-N 3.33Å; T2560-R2562 PolarHBondContact O-N 3.38Å; T2560-Q2563 PolarHBondContact O-N 3.02Å; T2560-F2564 WeakPolarHBondContact O-CB 3.45Å; T2560-F2564 PolarHBondContact O-N 3.12Å |
| 2561 | A | 73.5 | Confident | 70 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2526 F2557 F2564 Y2565 | F2526-A2561 HydrophobicContact CD2-CB 4.49Å; F2526-A2561 HydrophobicContact CE2-CB 4.32Å; F2557-A2561 VanDerWaalsContact O-CB 3.27Å; F2557-A2561 WeakPolarHBondContact O-CB 3.43Å; F2557-A2561 PolarHBondContact O-N 3.39Å; A2561-F2564 PolarHBondContact O-N 3.27Å; A2561-Y2565 WeakPolarHBondContact O-CB 3.38Å; A2561-Y2565 PolarHBondContact O-N 2.97Å |
| 2562 | R | 72.8 | Confident | 70 | Confident | 143 Ų | 143 | 56.3 Ų | 56.3 | 54% | 0.54 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 175.7 | 170.5 | 158.7 | -170.4 | 178.3 | 5.5 | 112.7 | V2558 F2559 T2560 A2566 W2601 | V2558-R2562 VanDerWaalsContact O-CB 3.31Å; V2558-R2562 WeakPolarHBondContact O-CB 3.35Å; V2558-R2562 PolarHBondContact O-N 3.32Å; F2559-R2562 PolarHBondContact O-N 2.87Å; T2560-R2562 VanDerWaalsContact C-N 3.33Å; T2560-R2562 PolarHBondContact O-N 3.38Å; R2562-A2566 PolarHBondContact O-N 3Å; R2562-A2566 VanDerWaalsContact O-N 3.15Å; R2562-W2601 HydrophobicContact CB-CH2 4.49Å; R2562-W2601 HydrophobicContact CB-CZ2 4.02Å; R2562-W2601 HydrophobicContact CG-CH2 4.48Å; R2562-W2601 HydrophobicContact CG-CZ2 3.62Å |
| 2563 | Q | 71.1 | Confident | 69.8 | Low | 50 Ų | 50 | 55 Ų | 55 | 23% | 0.234 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 174.2 | -92.3 | -93.5 | 1.5 | 0 | 0 | 111.7 | M2535 F2559 T2560 A2566 Q2567 | M2535-Q2563 HydrophobicContact CE-CB 4.37Å; M2535-Q2563 HydrophobicContact CE-CG 4.13Å; F2559-Q2563 HydrophobicContact CE1-CG 4.33Å; F2559-Q2563 HydrophobicContact CE2-CG 4.4Å; F2559-Q2563 HydrophobicContact CZ-CG 4.08Å; F2559-Q2563 PolarHBondContact O-N 3.5Å; T2560-Q2563 PolarHBondContact O-N 3.02Å; Q2563-A2566 PolarHBondContact O-N 2.93Å; Q2563-Q2567 PolarHBondContact O-N 3.19Å |
| 2564 | F | 73 | Confident | 69.8 | Low | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 176.7 | -175 | -101.7 | 0 | 0 | 0 | 112 | L2499 V2502 F2526 V2529 T2560 A2561 A2566 Q2567 L2568 F2577 | L2499-F2564 HydrophobicContact CD2-CE2 3.77Å; L2499-F2564 HydrophobicContact CD2-CZ 3.83Å; V2502-F2564 HydrophobicContact CB-CZ 4.28Å; V2502-F2564 HydrophobicContact CG1-CE1 4.33Å; V2502-F2564 HydrophobicContact CG1-CE2 4.09Å; V2502-F2564 HydrophobicContact CG1-CZ 3.62Å; F2526-F2564 HydrophobicContact CB-CB 4.47Å; F2526-F2564 HydrophobicContact CD1-CB 4.24Å; F2526-F2564 HydrophobicContact CD1-CD1 4.01Å; F2526-F2564 HydrophobicContact CD1-CD2 4.16Å; F2526-F2564 HydrophobicContact CD1-CE1 4.43Å; F2526-F2564 AromaticContact CD1-CG 3.86Å; F2526-F2564 HydrophobicContact CD1-CG 3.86Å; F2526-F2564 AromaticContact CE1-CD1 3.99Å; F2526-F2564 HydrophobicContact CE1-CD1 3.99Å; F2526-F2564 HydrophobicContact CE1-CE1 4.21Å; F2526-F2564 HydrophobicContact CE1-CG 4.32Å; F2526-F2564 HydrophobicContact CG-CB 4.38Å; F2526-F2564 HydrophobicContact CG-CG 4.47Å; V2529-F2564 HydrophobicContact CB-CD2 4.43Å; V2529-F2564 HydrophobicContact CB-CE2 4.19Å; V2529-F2564 HydrophobicContact CG1-CD2 4.46Å; V2529-F2564 HydrophobicContact CG1-CE2 3.93Å; T2560-F2564 WeakPolarHBondContact O-CB 3.45Å; T2560-F2564 PolarHBondContact O-N 3.12Å; A2561-F2564 PolarHBondContact O-N 3.27Å; F2564-A2566 VanDerWaalsContact C-N 3.27Å; F2564-A2566 PolarHBondContact O-N 3.33Å; F2564-Q2567 WeakPolarHBondContact O-CB 3.47Å; F2564-Q2567 PolarHBondContact O-N 2.97Å; F2564-L2568 HydrophobicContact CD1-CD1 4.46Å; F2564-L2568 HydrophobicContact CE1-CD1 4.2Å; F2564-F2577 HydrophobicContact CD1-CD2 4.32Å; F2564-F2577 HydrophobicContact CD1-CE1 4.22Å; F2564-F2577 AromaticContact CD1-CE2 3.74Å; F2564-F2577 HydrophobicContact CD1-CE2 3.74Å; F2564-F2577 AromaticContact CD1-CZ 3.68Å; F2564-F2577 HydrophobicContact CD1-CZ 3.68Å; F2564-F2577 HydrophobicContact CE1-CD2 4.09Å; F2564-F2577 AromaticContact CE1-CE2 3.82Å; F2564-F2577 HydrophobicContact CE1-CE2 3.82Å; F2564-F2577 HydrophobicContact CE1-CZ 4.25Å |
| 2565 | Y | 72.7 | Confident | 69.9 | Low | 63 Ų | 63 | 57 Ų | 57 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.5 | -38.4 | 175.1 | -174.1 | -97.2 | 0 | 0 | 0 | 112.6 | A2561 Q2567 L2568 A2574 F2577 W2601 | A2561-Y2565 WeakPolarHBondContact O-CB 3.38Å; A2561-Y2565 PolarHBondContact O-N 2.97Å; Y2565-Q2567 PolarHBondContact O-N 3.29Å; Y2565-L2568 PolarHBondContact O-N 3.26Å; Y2565-A2574 HydrophobicContact CE2-CB 3.91Å; Y2565-F2577 AromaticContact CD2-CD1 3.91Å; Y2565-F2577 HydrophobicContact CD2-CD1 3.91Å; Y2565-F2577 HydrophobicContact CD2-CE1 4.46Å; Y2565-W2601 AromaticContact CD1-CH2 3.45Å; Y2565-W2601 HydrophobicContact CD1-CH2 3.45Å; Y2565-W2601 VanDerWaalsContact CD1-CH2 3.45Å; Y2565-W2601 HydrophobicContact CD1-CZ2 4.24Å; Y2565-W2601 HydrophobicContact CD1-CZ3 4.12Å; Y2565-W2601 HydrophobicContact CD2-CH2 4.49Å; Y2565-W2601 HydrophobicContact CE1-CH2 4.04Å; Y2565-W2601 HydrophobicContact CE1-CZ3 4.35Å; Y2565-W2601 AromaticContact CG-CH2 3.71Å; Y2565-W2601 HydrophobicContact CG-CH2 3.71Å; Y2565-W2601 HydrophobicContact CG-CZ3 4.26Å |
| 2566 | A | 71.1 | Confident | 70.1 | Confident | 85 Ų | 85 | 57.4 Ų | 57.4 | 70% | 0.702 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69 | -14.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | R2562 Q2563 F2564 | R2562-A2566 PolarHBondContact O-N 3Å; R2562-A2566 VanDerWaalsContact O-N 3.15Å; Q2563-A2566 PolarHBondContact O-N 2.93Å; F2564-A2566 VanDerWaalsContact C-N 3.27Å; F2564-A2566 PolarHBondContact O-N 3.33Å |
| 2567 | Q | 70 | Confident | 70 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -90.8 | -11.7 | 178 | -68.5 | 175.9 | -2.6 | 0 | 0 | 113.4 | Q2563 F2564 Y2565 S2569 | Q2563-Q2567 PolarHBondContact O-N 3.19Å; F2564-Q2567 WeakPolarHBondContact O-CB 3.47Å; F2564-Q2567 PolarHBondContact O-N 2.97Å; Y2565-Q2567 PolarHBondContact O-N 3.29Å; Q2567-S2569 PolarHBondContact O-N 2.96Å |
| 2568 | L | 68.2 | Low | 69.9 | Low | 18 Ų | 18 | 62.9 Ų | 62.9 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | trans | -82.6 | 102.9 | 177.8 | -65.9 | 167.9 | 0 | 0 | 0 | 109.8 | L2499 L2503 F2564 Y2565 A2573 A2574 F2577 | L2499-L2568 HydrophobicContact CD1-CD2 4.33Å; L2499-L2568 HydrophobicContact CD2-CD2 4.02Å; L2503-L2568 HydrophobicContact CD1-CD2 4.46Å; F2564-L2568 HydrophobicContact CD1-CD1 4.46Å; F2564-L2568 HydrophobicContact CE1-CD1 4.2Å; Y2565-L2568 PolarHBondContact O-N 3.26Å; L2568-A2573 HydrophobicContact CD2-CB 4.25Å; L2568-A2574 HydrophobicContact CB-CB 4.44Å; L2568-F2577 HydrophobicContact CD1-CB 4.09Å; L2568-F2577 HydrophobicContact CD1-CD1 4.48Å; L2568-F2577 HydrophobicContact CD1-CG 4.26Å | ||
| 2569 | S | 63.1 | Low | 69.8 | Low | 123 Ų | 123 | 69.2 Ų | 69.2 | 86% | 0.86 | 36% | 0.355 | S | S | * | . | trans | -81.4 | -15.8 | -179.8 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | Q2567 | Q2567-S2569 PolarHBondContact O-N 2.96Š| ||
| 2570 | E | 65.6 | Low | 69.4 | Low | 135 Ų | 135 | 68.8 Ų | 68.8 | 63% | 0.631 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -95.8 | 123.2 | 177.1 | -75.5 | -168.4 | 158.1 | 0 | 0 | 111.9 | A2572 A2573 A2574 | E2570-A2572 VanDerWaalsContact C-N 3.25Å; E2570-A2572 PolarHBondContact O-N 3.33Å; E2570-A2573 HydrophobicContact CB-CB 4.28Å; E2570-A2573 PolarHBondContact O-N 2.95Å; E2570-A2573 VanDerWaalsContact O-N 3.14Å; E2570-A2574 PolarHBondContact O-N 3.37Å; E2570-A2574 VanDerWaalsContact O-N 3.12Å |
| 2571 | E | 65.2 | Low | 69 | Low | 175 Ų | 175 | 70.6 Ų | 70.6 | 82% | 0.818 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -55 | -37.4 | 179.5 | -80.3 | -177.2 | 153.8 | 0 | 0 | 112.9 | A2573 A2574 E2575 | E2571-A2573 PolarHBondContact O-N 3.29Å; E2571-A2574 PolarHBondContact O-N 3.45Å; E2571-E2575 WeakPolarHBondContact O-CB 3.26Å; E2571-E2575 PolarHBondContact O-N 3.42Å |
| 2572 | A | 62.1 | Low | 68.7 | Low | 78 Ų | 78 | 75.3 Ų | 75.3 | 65% | 0.645 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.6 | -38.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | E2570 S2576 | E2570-A2572 VanDerWaalsContact C-N 3.25Å; E2570-A2572 PolarHBondContact O-N 3.33Å; A2572-S2576 WeakPolarHBondContact O-CB 3.37Å; A2572-S2576 PolarHBondContact O-N 2.89Å; A2572-S2576 VanDerWaalsContact O-N 3.1Å |
| 2573 | A | 63.5 | Low | 68.2 | Low | 15 Ų | 15 | 73.7 Ų | 73.7 | 12% | 0.124 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.2 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L2503 L2568 E2570 E2571 S2576 F2577 | L2503-A2573 HydrophobicContact CD1-CB 3.93Å; L2568-A2573 HydrophobicContact CD2-CB 4.25Å; E2570-A2573 HydrophobicContact CB-CB 4.28Å; E2570-A2573 PolarHBondContact O-N 2.95Å; E2570-A2573 VanDerWaalsContact O-N 3.14Å; E2571-A2573 PolarHBondContact O-N 3.29Å; A2573-S2576 PolarHBondContact O-N 2.93Å; A2573-S2576 PolarHBondContact O-OG 3.47Å; A2573-F2577 PolarHBondContact O-N 3.44Å |
| 2574 | A | 66.4 | Low | 67.6 | Low | 11 Ų | 11 | 72 Ų | 72 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y2565 L2568 E2570 E2571 F2577 R2578 | Y2565-A2574 HydrophobicContact CE2-CB 3.91Å; L2568-A2574 HydrophobicContact CB-CB 4.44Å; E2570-A2574 PolarHBondContact O-N 3.37Å; E2570-A2574 VanDerWaalsContact O-N 3.12Å; E2571-A2574 PolarHBondContact O-N 3.45Å; A2574-F2577 PolarHBondContact O-N 3.07Å; A2574-R2578 WeakPolarHBondContact O-CB 3.39Å; A2574-R2578 PolarHBondContact O-N 3.28Å |
| 2575 | E | 72.2 | Confident | 66.8 | Low | 97 Ų | 97 | 75 Ų | 75 | 45% | 0.453 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.4 | -158.8 | 82.8 | -171.4 | 0 | 0 | 111.7 | E2571 R2578 R2579 | E2571-E2575 WeakPolarHBondContact O-CB 3.26Å; E2571-E2575 PolarHBondContact O-N 3.42Å; E2575-R2578 PolarHBondContact O-N 3.28Å; E2575-R2579 PolarHBondContact O-N 3.18Å |
| 2576 | S | 70.1 | Confident | 66.3 | Low | 47 Ų | 47 | 75.5 Ų | 75.5 | 33% | 0.329 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.9 | 79.7 | 0 | 0 | 0 | 0 | 111.8 | A2572 A2573 R2579 V2580 | A2572-S2576 WeakPolarHBondContact O-CB 3.37Å; A2572-S2576 PolarHBondContact O-N 2.89Å; A2572-S2576 VanDerWaalsContact O-N 3.1Å; A2573-S2576 PolarHBondContact O-N 2.93Å; A2573-S2576 PolarHBondContact O-OG 3.47Å; S2576-R2579 PolarHBondContact O-N 3.23Å; S2576-V2580 WeakPolarHBondContact O-CG2 3.34Å; S2576-V2580 PolarHBondContact O-N 3.28Å; S2576-V2580 VanDerWaalsContact O-N 3.12Å |
| 2577 | F | 71.9 | Confident | 65.6 | Low | 5 Ų | 5 | 78.6 Ų | 78.6 | 2% | 0.022 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 176.2 | -173.2 | -104.4 | 0 | 0 | 0 | 111.7 | L2503 F2526 F2564 Y2565 L2568 A2573 A2574 V2580 L2581 | L2503-F2577 HydrophobicContact CD2-CB 3.95Å; L2503-F2577 HydrophobicContact CD2-CD2 3.99Å; L2503-F2577 HydrophobicContact CD2-CG 4.43Å; F2526-F2577 AromaticContact CE1-CE2 3.73Å; F2526-F2577 HydrophobicContact CE1-CE2 3.73Å; F2526-F2577 AromaticContact CE1-CZ 3.98Å; F2526-F2577 HydrophobicContact CE1-CZ 3.98Å; F2526-F2577 HydrophobicContact CE2-CZ 4.24Å; F2526-F2577 AromaticContact CZ-CE2 3.58Å; F2526-F2577 HydrophobicContact CZ-CE2 3.58Å; F2526-F2577 AromaticContact CZ-CZ 3.62Å; F2526-F2577 HydrophobicContact CZ-CZ 3.62Å; F2564-F2577 HydrophobicContact CD1-CD2 4.32Å; F2564-F2577 HydrophobicContact CD1-CE1 4.22Å; F2564-F2577 AromaticContact CD1-CE2 3.74Å; F2564-F2577 HydrophobicContact CD1-CE2 3.74Å; F2564-F2577 AromaticContact CD1-CZ 3.68Å; F2564-F2577 HydrophobicContact CD1-CZ 3.68Å; F2564-F2577 HydrophobicContact CE1-CD2 4.09Å; F2564-F2577 AromaticContact CE1-CE2 3.82Å; F2564-F2577 HydrophobicContact CE1-CE2 3.82Å; F2564-F2577 HydrophobicContact CE1-CZ 4.25Å; Y2565-F2577 AromaticContact CD2-CD1 3.91Å; Y2565-F2577 HydrophobicContact CD2-CD1 3.91Å; Y2565-F2577 HydrophobicContact CD2-CE1 4.46Å; L2568-F2577 HydrophobicContact CD1-CB 4.09Å; L2568-F2577 HydrophobicContact CD1-CD1 4.48Å; L2568-F2577 HydrophobicContact CD1-CG 4.26Å; A2573-F2577 PolarHBondContact O-N 3.44Å; A2574-F2577 PolarHBondContact O-N 3.07Å; F2577-V2580 PolarHBondContact O-N 3.41Å; F2577-L2581 HydrophobicContact CD1-CD1 3.6Å; F2577-L2581 HydrophobicContact CE1-CD1 3.23Å; F2577-L2581 HydrophobicContact CE1-CG 4.43Å; F2577-L2581 HydrophobicContact CG-CD1 4.48Å; F2577-L2581 HydrophobicContact CZ-CD1 3.81Å; F2577-L2581 WeakPolarHBondContact O-CB 3.15Å; F2577-L2581 PolarHBondContact O-N 2.79Å |
| 2578 | R | 72.1 | Confident | 64.8 | Low | 124 Ų | 124 | 77.3 Ų | 77.3 | 47% | 0.468 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.6 | -171.9 | 179.1 | -176.9 | 146.9 | 8 | 112.1 | A2574 E2575 V2580 L2581 E2582 | A2574-R2578 WeakPolarHBondContact O-CB 3.39Å; A2574-R2578 PolarHBondContact O-N 3.28Å; E2575-R2578 PolarHBondContact O-N 3.28Å; R2578-V2580 VanDerWaalsContact C-N 3.35Å; R2578-V2580 PolarHBondContact O-N 3.32Å; R2578-L2581 WeakPolarHBondContact O-CB 3.32Å; R2578-L2581 PolarHBondContact O-N 2.66Å; R2578-E2582 IonicContact NE-OE1 3.47Å; R2578-E2582 WeakPolarHBondContact O-CG 3.4Å; R2578-E2582 PolarHBondContact O-N 3.23Å |
| 2579 | R | 70.6 | Confident | 63.7 | Low | 170 Ų | 170 | 83 Ų | 83 | 64% | 0.642 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.4 | -41.3 | 176.4 | -76.2 | -175.9 | -173.5 | 152.7 | 7.1 | 112.6 | E2575 S2576 E2582 E2583 | E2575-R2579 PolarHBondContact O-N 3.18Å; S2576-R2579 PolarHBondContact O-N 3.23Å; R2579-E2582 PolarHBondContact O-N 3.07Å; R2579-E2583 PolarHBondContact O-N 3.43Å |
| 2580 | V | 67.7 | Low | 63 | Low | 29 Ų | 29 | 86.2 Ų | 86.2 | 18% | 0.176 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.5 | -42 | 177.3 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | V2506 P2507 L2510 S2576 F2577 R2578 E2583 V2584 | V2506-V2580 HydrophobicContact CG1-CG1 3.76Å; P2507-V2580 HydrophobicContact CG-CG1 4.42Å; P2507-V2580 HydrophobicContact CG-CG2 4.27Å; L2510-V2580 HydrophobicContact CD1-CG1 3.56Å; S2576-V2580 WeakPolarHBondContact O-CG2 3.34Å; S2576-V2580 PolarHBondContact O-N 3.28Å; S2576-V2580 VanDerWaalsContact O-N 3.12Å; F2577-V2580 PolarHBondContact O-N 3.41Å; R2578-V2580 VanDerWaalsContact C-N 3.35Å; R2578-V2580 PolarHBondContact O-N 3.32Å; V2580-E2583 WeakPolarHBondContact O-CB 3.29Å; V2580-E2583 PolarHBondContact O-N 3.44Å; V2580-V2584 VanDerWaalsContact O-CG2 3.3Å; V2580-V2584 WeakPolarHBondContact O-CG2 3.36Å; V2580-V2584 PolarHBondContact O-N 3.03Å; V2580-V2584 VanDerWaalsContact O-N 3.13Å |
| 2581 | L | 65.4 | Low | 62.3 | Low | 38 Ų | 38 | 81.4 Ų | 81.4 | 20% | 0.199 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 173.2 | -100.6 | 155.3 | 0 | 0 | 0 | 113 | F2577 R2578 E2583 V2584 I2585 | F2577-L2581 HydrophobicContact CD1-CD1 3.6Å; F2577-L2581 HydrophobicContact CE1-CD1 3.23Å; F2577-L2581 HydrophobicContact CE1-CG 4.43Å; F2577-L2581 HydrophobicContact CG-CD1 4.48Å; F2577-L2581 HydrophobicContact CZ-CD1 3.81Å; F2577-L2581 WeakPolarHBondContact O-CB 3.15Å; F2577-L2581 PolarHBondContact O-N 2.79Å; R2578-L2581 WeakPolarHBondContact O-CB 3.32Å; R2578-L2581 PolarHBondContact O-N 2.66Å; L2581-E2583 VanDerWaalsContact C-N 3.29Å; L2581-E2583 PolarHBondContact O-N 3.37Å; L2581-V2584 WeakPolarHBondContact O-CB 3.38Å; L2581-V2584 PolarHBondContact O-N 3.11Å; L2581-V2584 VanDerWaalsContact O-N 3.15Å; L2581-I2585 WeakPolarHBondContact O-CD1 3.4Å; L2581-I2585 VanDerWaalsContact O-CG1 3.25Å; L2581-I2585 WeakPolarHBondContact O-CG1 3.46Å; L2581-I2585 PolarHBondContact O-N 3.02Å |
| 2582 | E | 67.5 | Low | 61.6 | Low | 107 Ų | 107 | 82.6 Ų | 82.6 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 173.4 | -75.9 | 175.6 | -177.5 | 0 | 0 | 112.1 | R2578 R2579 V2584 I2585 S2586 | R2578-E2582 IonicContact NE-OE1 3.47Å; R2578-E2582 WeakPolarHBondContact O-CG 3.4Å; R2578-E2582 PolarHBondContact O-N 3.23Å; R2579-E2582 PolarHBondContact O-N 3.07Å; E2582-V2584 PolarHBondContact O-N 2.84Å; E2582-I2585 PolarHBondContact O-N 3.31Å; E2582-S2586 PolarHBondContact O-N 3.12Å; E2582-S2586 VanDerWaalsContact O-N 3.14Å |
| 2583 | E | 63.2 | Low | 60.9 | Low | 110 Ų | 110 | 85.6 Ų | 85.6 | 51% | 0.514 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 174 | -153.1 | -178.1 | 172.7 | 0 | 0 | 111.9 | R2579 V2580 L2581 S2586 | R2579-E2583 PolarHBondContact O-N 3.43Å; V2580-E2583 WeakPolarHBondContact O-CB 3.29Å; V2580-E2583 PolarHBondContact O-N 3.44Å; L2581-E2583 VanDerWaalsContact C-N 3.29Å; L2581-E2583 PolarHBondContact O-N 3.37Å; E2583-S2586 PolarHBondContact O-N 3.28Å; E2583-S2586 PolarHBondContact O-OG 3.45Å |
| 2584 | V | 59.1 | Low | 60.2 | Low | 14 Ų | 14 | 86.4 Ų | 86.4 | 9% | 0.085 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 172.8 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | L2510 V2580 L2581 E2582 S2586 R2587 V2588 | L2510-V2584 HydrophobicContact CD1-CG2 3.38Å; L2510-V2584 HydrophobicContact CD2-CB 4.24Å; L2510-V2584 HydrophobicContact CD2-CG1 3.9Å; L2510-V2584 HydrophobicContact CD2-CG2 3.3Å; L2510-V2584 HydrophobicContact CG-CG2 3.94Å; V2580-V2584 VanDerWaalsContact O-CG2 3.3Å; V2580-V2584 WeakPolarHBondContact O-CG2 3.36Å; V2580-V2584 PolarHBondContact O-N 3.03Å; V2580-V2584 VanDerWaalsContact O-N 3.13Å; L2581-V2584 WeakPolarHBondContact O-CB 3.38Å; L2581-V2584 PolarHBondContact O-N 3.11Å; L2581-V2584 VanDerWaalsContact O-N 3.15Å; E2582-V2584 PolarHBondContact O-N 2.84Å; V2584-S2586 PolarHBondContact O-N 3.45Å; V2584-R2587 PolarHBondContact O-N 3.1Å; V2584-V2588 HydrophobicContact CG1-CG2 4.01Å; V2584-V2588 WeakPolarHBondContact O-CG2 3.16Å; V2584-V2588 PolarHBondContact O-N 3.45Å |
| 2585 | I | 55.7 | Low | 59.3 | Low | 64 Ų | 64 | 90 Ų | 90 | 33% | 0.328 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.5 | -36.3 | -179.6 | -67.9 | 159.2 | 0 | 0 | 0 | 110.5 | L2581 E2582 R2587 V2588 L2598 | L2581-I2585 WeakPolarHBondContact O-CD1 3.4Å; L2581-I2585 VanDerWaalsContact O-CG1 3.25Å; L2581-I2585 WeakPolarHBondContact O-CG1 3.46Å; L2581-I2585 PolarHBondContact O-N 3.02Å; E2582-I2585 PolarHBondContact O-N 3.31Å; I2585-R2587 VanDerWaalsContact C-N 3.28Å; I2585-R2587 PolarHBondContact O-N 2.92Å; I2585-V2588 PolarHBondContact O-N 2.76Å; I2585-L2598 HydrophobicContact CD1-CD1 3.51Å; I2585-L2598 HydrophobicContact CG1-CD1 4.18Å |
| 2586 | S | 60.9 | Low | 58.4 | Low | 73 Ų | 73 | 88.3 Ų | 88.3 | 51% | 0.51 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.7 | -26.2 | 176.1 | 81.2 | 0 | 0 | 0 | 0 | 114.1 | E2582 E2583 V2584 | E2582-S2586 PolarHBondContact O-N 3.12Å; E2582-S2586 VanDerWaalsContact O-N 3.14Å; E2583-S2586 PolarHBondContact O-N 3.28Å; E2583-S2586 PolarHBondContact O-OG 3.45Å; V2584-S2586 PolarHBondContact O-N 3.45Å |
| 2587 | R | 57.2 | Low | 57.4 | Low | 149 Ų | 149 | 91 Ų | 91 | 56% | 0.562 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -94 | -16.3 | -178.7 | -69.7 | -175.6 | 176.3 | 179.7 | 2.8 | 114.3 | I2515 V2584 I2585 | I2515-R2587 HydrophobicContact CD1-CB 4.2Å; V2584-R2587 PolarHBondContact O-N 3.1Å; I2585-R2587 VanDerWaalsContact C-N 3.28Å; I2585-R2587 PolarHBondContact O-N 2.92Å |
| 2588 | V | 53.2 | Low | 56.3 | Low | 42 Ų | 42 | 93.7 Ų | 93.7 | 26% | 0.255 | 45% | 0.447 | S | S | . | . | trans | -103.3 | 6.3 | -169.7 | 176.8 | 0 | 0 | 0 | 0 | 114.2 | I2515 V2584 I2585 M2590 | I2515-V2588 HydrophobicContact CD1-CG2 3.99Å; I2515-V2588 HydrophobicContact CG2-CG2 3.59Å; V2584-V2588 HydrophobicContact CG1-CG2 4.01Å; V2584-V2588 WeakPolarHBondContact O-CG2 3.16Å; V2584-V2588 PolarHBondContact O-N 3.45Å; I2585-V2588 PolarHBondContact O-N 2.76Å; V2588-M2590 VanDerWaalsContact C-N 3.32Å; V2588-M2590 PolarHBondContact O-N 3.07Å | ||
| 2589 | L | 45.1 | Very low | 55.2 | Low | 138 Ų | 138 | 91.7 Ų | 91.7 | 72% | 0.723 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 77.9 | -176.7 | -84.1 | 156.5 | 0 | 0 | 0 | 115.4 | ||
| 2590 | M | 48.1 | Very low | 53.9 | Low | 190 Ų | 190 | 91.6 Ų | 91.6 | 94% | 0.936 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.6 | -13.2 | 164.1 | -88.5 | -75.1 | -165.2 | 0 | 0 | 113.9 | V2588 | V2588-M2590 VanDerWaalsContact C-N 3.32Å; V2588-M2590 PolarHBondContact O-N 3.07Å |
| 2591 | S | 51.2 | Low | 52.5 | Low | 33 Ų | 33 | 97.2 Ų | 97.2 | 23% | 0.231 | 48% | 0.484 | C | S | . | . | trans | -105.1 | 108.6 | 175.5 | 87.7 | 0 | 0 | 0 | 0 | 113.2 | Q2554 R2593 | Q2554-S2591 PolarHBondContact OE1-OG 2.67Å; Q2554-S2591 VanDerWaalsContact OE1-OG 3.11Å; S2591-R2593 PolarHBondContact O-N 3.23Å; S2591-R2593 VanDerWaalsContact O-N 3.13Å | ||
| 2592 | K | 50.2 | Low | 51.8 | Low | 200 Ų | 200 | 100.2 Ų | 100.2 | 87% | 0.87 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -17.3 | -177.5 | -80.9 | -179.7 | 175.5 | 176.3 | 0 | 115.1 | ||
| 2593 | R | 47.6 | Very low | 51 | Low | 141 Ų | 141 | 99.8 Ų | 99.8 | 53% | 0.532 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -81.6 | -35.9 | -176.1 | -84.8 | -174.2 | 175.1 | 179 | 1.1 | 114 | S2591 V2595 S2596 Y2597 | S2591-R2593 PolarHBondContact O-N 3.23Å; S2591-R2593 VanDerWaalsContact O-N 3.13Å; R2593-V2595 VanDerWaalsContact C-N 3.29Å; R2593-V2595 PolarHBondContact O-N 3.1Å; R2593-S2596 PolarHBondContact O-N 2.92Å; R2593-S2596 VanDerWaalsContact O-N 3.09Å; R2593-S2596 PolarHBondContact O-OG 2.82Å; R2593-Y2597 PolarHBondContact O-N 2.97Å |
| 2594 | L | 48.6 | Very low | 50.3 | Low | 32 Ų | 32 | 99.2 Ų | 99.2 | 17% | 0.168 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -65.8 | -35 | -177.7 | -125.6 | 135.4 | 0 | 0 | 0 | 111.8 | Q2554 V2558 S2596 Y2597 L2598 | Q2554-L2594 HydrophobicContact CB-CD1 4.32Å; V2558-L2594 HydrophobicContact CG2-CD1 4.37Å; V2558-L2594 HydrophobicContact CG2-CD2 3.96Å; V2558-L2594 HydrophobicContact CG2-CG 3.9Å; L2594-S2596 VanDerWaalsContact C-N 3.35Å; L2594-S2596 PolarHBondContact O-N 3.23Å; L2594-Y2597 PolarHBondContact O-N 3.17Å; L2594-L2598 HydrophobicContact CD2-CD1 4.2Å; L2594-L2598 PolarHBondContact O-N 3.3Å |
| 2595 | V | 48.6 | Very low | 49.8 | Very low | 86 Ų | 86 | 104.2 Ų | 104.2 | 52% | 0.521 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 173.1 | -180 | 0 | 0 | 0 | 0 | 112 | R2593 A2599 | R2593-V2595 VanDerWaalsContact C-N 3.29Å; R2593-V2595 PolarHBondContact O-N 3.1Å; V2595-A2599 WeakPolarHBondContact O-CB 3.09Å; V2595-A2599 PolarHBondContact O-N 3.13Å; V2595-A2599 VanDerWaalsContact O-N 3.08Å |
| 2596 | S | 53.4 | Low | 49.4 | Very low | 63 Ų | 63 | 106.8 Ų | 106.8 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.3 | -31.6 | -179.5 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | R2593 L2594 M2600 | R2593-S2596 PolarHBondContact O-N 2.92Å; R2593-S2596 VanDerWaalsContact O-N 3.09Å; R2593-S2596 PolarHBondContact O-OG 2.82Å; L2594-S2596 VanDerWaalsContact C-N 3.35Å; L2594-S2596 PolarHBondContact O-N 3.23Å; S2596-M2600 PolarHBondContact O-N 3.31Å |
| 2597 | Y | 48.2 | Very low | 48.7 | Very low | 102 Ų | 102 | 109 Ų | 109 | 40% | 0.4 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -77 | -35.7 | 177.8 | -88.9 | -74.6 | 0 | 0 | 0 | 112.8 | R2593 L2594 M2600 W2601 | R2593-Y2597 PolarHBondContact O-N 2.97Å; L2594-Y2597 PolarHBondContact O-N 3.17Å; Y2597-M2600 PolarHBondContact O-N 3.03Å; Y2597-W2601 PolarHBondContact O-N 3.29Å |
| 2598 | L | 49 | Very low | 48 | Very low | 62 Ų | 62 | 106.1 Ų | 106.1 | 33% | 0.325 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -78.6 | -22 | 176.3 | -83 | 156.6 | 0 | 0 | 0 | 113.6 | I2585 L2594 M2600 W2601 | I2585-L2598 HydrophobicContact CD1-CD1 3.51Å; I2585-L2598 HydrophobicContact CG1-CD1 4.18Å; L2594-L2598 HydrophobicContact CD2-CD1 4.2Å; L2594-L2598 PolarHBondContact O-N 3.3Å; L2598-M2600 VanDerWaalsContact C-N 3.29Å; L2598-W2601 HydrophobicContact CD2-CE3 4.16Å; L2598-W2601 PolarHBondContact O-N 3.18Å |
| 2599 | A | 49.2 | Very low | 47.6 | Very low | 82 Ų | 82 | 111.1 Ų | 111.1 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -77.2 | -15.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V2595 | V2595-A2599 WeakPolarHBondContact O-CB 3.09Å; V2595-A2599 PolarHBondContact O-N 3.13Å; V2595-A2599 VanDerWaalsContact O-N 3.08Å |
| 2600 | M | 43.1 | Very low | 47.9 | Very low | 168 Ų | 168 | 108.8 Ų | 108.8 | 83% | 0.828 | 54% | 0.54 | S | S | * | . | trans | -91 | -10.8 | 170 | -80.5 | -174.9 | 67.5 | 0 | 0 | 113.1 | S2596 Y2597 L2598 | S2596-M2600 PolarHBondContact O-N 3.31Å; Y2597-M2600 PolarHBondContact O-N 3.03Å; L2598-M2600 VanDerWaalsContact C-N 3.29Å | ||
| 2601 | W | 37.1 | Very low | 47.8 | Very low | 147 Ų | 147 | 101.5 Ų | 101.5 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | trans | -88.7 | 0 | 168 | -115.3 | 36 | 0 | 0 | 0 | 109.2 | R2562 Y2565 Y2597 L2598 | R2562-W2601 HydrophobicContact CB-CH2 4.49Å; R2562-W2601 HydrophobicContact CB-CZ2 4.02Å; R2562-W2601 HydrophobicContact CG-CH2 4.48Å; R2562-W2601 HydrophobicContact CG-CZ2 3.62Å; Y2565-W2601 AromaticContact CD1-CH2 3.45Å; Y2565-W2601 HydrophobicContact CD1-CH2 3.45Å; Y2565-W2601 VanDerWaalsContact CD1-CH2 3.45Å; Y2565-W2601 HydrophobicContact CD1-CZ2 4.24Å; Y2565-W2601 HydrophobicContact CD1-CZ3 4.12Å; Y2565-W2601 HydrophobicContact CD2-CH2 4.49Å; Y2565-W2601 HydrophobicContact CE1-CH2 4.04Å; Y2565-W2601 HydrophobicContact CE1-CZ3 4.35Å; Y2565-W2601 AromaticContact CG-CH2 3.71Å; Y2565-W2601 HydrophobicContact CG-CH2 3.71Å; Y2565-W2601 HydrophobicContact CG-CZ3 4.26Å; Y2597-W2601 PolarHBondContact O-N 3.29Å; L2598-W2601 HydrophobicContact CD2-CE3 4.16Å; L2598-W2601 PolarHBondContact O-N 3.18Å |
Retrieved 2,601 of 2,601 residues in 1311.2 ms
(Link to these results)