| 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 | 53.6 | Low | 69.1 | Low | 179 Ų | 179 | 101.2 Ų | 101.2 | 88% | 0.882 | 53% | 0.529 | S | S | * | . | 0 | -54.4 | 0 | -152.3 | 174.2 | -162.9 | 0 | 0 | 112 | S4 Q5 | M1-S4 WeakPolarHBondContact CA-OG 3.33Å; M1-S4 PolarHBondContact O-N 3.07Å; M1-S4 PolarHBondContact O-OG 3.09Å; M1-Q5 WeakPolarHBondContact O-CG 3.19Å; M1-Q5 PolarHBondContact O-N 2.79Å; M1-Q5 VanDerWaalsContact O-N 3.12Å | |||
| 2 | F | 70.1 | Confident | 68.7 | Low | 161 Ų | 161 | 99.5 Ų | 99.5 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -44.4 | 175.4 | -174.5 | -103 | 0 | 0 | 0 | 112.9 | S4 Q5 L6 | F2-S4 VanDerWaalsContact C-N 3.34Å; F2-S4 PolarHBondContact O-N 3.26Å; F2-Q5 PolarHBondContact O-N 3.43Å; F2-L6 HydrophobicContact CE1-CD2 4.48Å; F2-L6 VanDerWaalsContact O-CB 3.27Å; F2-L6 WeakPolarHBondContact O-CB 3.31Å; F2-L6 PolarHBondContact O-N 2.87Å |
| 3 | T | 68.7 | Low | 67.9 | Low | 108 Ų | 108 | 94.4 Ų | 94.4 | 66% | 0.663 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -37.2 | 178.4 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | K7 | T3-K7 VanDerWaalsContact O-CB 3.29Å; T3-K7 WeakPolarHBondContact O-CB 3.38Å; T3-K7 PolarHBondContact O-N 3.33Å |
| 4 | S | 72.1 | Confident | 67.5 | Low | 69 Ų | 69 | 94.1 Ų | 94.1 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.9 | -41.3 | 178.5 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | M1 F2 K7 S8 | M1-S4 WeakPolarHBondContact CA-OG 3.33Å; M1-S4 PolarHBondContact O-N 3.07Å; M1-S4 PolarHBondContact O-OG 3.09Å; F2-S4 VanDerWaalsContact C-N 3.34Å; F2-S4 PolarHBondContact O-N 3.26Å; S4-K7 PolarHBondContact O-N 2.81Å; S4-S8 PolarHBondContact O-N 2.62Å; S4-S8 PolarHBondContact O-OG 3.26Å |
| 5 | Q | 74.4 | Confident | 66.8 | Low | 109 Ų | 109 | 99.9 Ų | 99.9 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 174.3 | -74 | 178.6 | -33.3 | 0 | 0 | 111.9 | M1 F2 K7 S8 L9 | M1-Q5 WeakPolarHBondContact O-CG 3.19Å; M1-Q5 PolarHBondContact O-N 2.79Å; M1-Q5 VanDerWaalsContact O-N 3.12Å; F2-Q5 PolarHBondContact O-N 3.43Å; Q5-K7 VanDerWaalsContact C-N 3.33Å; Q5-S8 WeakPolarHBondContact CA-OG 3.18Å; Q5-S8 PolarHBondContact O-N 2.81Å; Q5-S8 PolarHBondContact O-OG 3.41Å; Q5-L9 WeakPolarHBondContact O-CB 3.34Å; Q5-L9 WeakPolarHBondContact O-CG 3.34Å; Q5-L9 PolarHBondContact O-N 2.89Å |
| 6 | L | 72.2 | Confident | 66.4 | Low | 85 Ų | 85 | 99.3 Ų | 99.3 | 45% | 0.445 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 174.2 | -174.8 | 68.7 | 0 | 0 | 0 | 110.4 | F2 S8 L9 V10 | F2-L6 HydrophobicContact CE1-CD2 4.48Å; F2-L6 VanDerWaalsContact O-CB 3.27Å; F2-L6 WeakPolarHBondContact O-CB 3.31Å; F2-L6 PolarHBondContact O-N 2.87Å; L6-S8 PolarHBondContact O-N 2.94Å; L6-L9 PolarHBondContact O-N 2.91Å; L6-V10 HydrophobicContact CG-CG2 4.48Å; L6-V10 WeakPolarHBondContact O-CB 3.48Å; L6-V10 VanDerWaalsContact O-CG2 3.23Å; L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 3Å |
| 7 | K | 71.7 | Confident | 66.3 | Low | 123 Ų | 123 | 102.6 Ų | 102.6 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 178.1 | -166.9 | 174.1 | -178.4 | -177.1 | 0 | 111.8 | T3 S4 Q5 L9 V10 D11 | T3-K7 VanDerWaalsContact O-CB 3.29Å; T3-K7 WeakPolarHBondContact O-CB 3.38Å; T3-K7 PolarHBondContact O-N 3.33Å; S4-K7 PolarHBondContact O-N 2.81Å; Q5-K7 VanDerWaalsContact C-N 3.33Å; K7-L9 PolarHBondContact O-N 2.9Å; K7-V10 PolarHBondContact O-N 2.88Å; K7-D11 WeakPolarHBondContact O-CB 3.43Å; K7-D11 VanDerWaalsContact O-CG 3.26Å; K7-D11 PolarHBondContact O-N 3.1Å |
| 8 | S | 71.3 | Confident | 66.5 | Low | 62 Ų | 62 | 100.7 Ų | 100.7 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 176.5 | 59 | 0 | 0 | 0 | 0 | 113.1 | S4 Q5 L6 V10 D11 T12 | S4-S8 PolarHBondContact O-N 2.62Å; S4-S8 PolarHBondContact O-OG 3.26Å; Q5-S8 WeakPolarHBondContact CA-OG 3.18Å; Q5-S8 PolarHBondContact O-N 2.81Å; Q5-S8 PolarHBondContact O-OG 3.41Å; L6-S8 PolarHBondContact O-N 2.94Å; S8-V10 VanDerWaalsContact C-N 3.33Å; S8-V10 PolarHBondContact O-N 3.4Å; S8-D11 PolarHBondContact O-N 2.85Å; S8-T12 PolarHBondContact O-N 3.2Å; S8-T12 PolarHBondContact O-OG1 3.2Å; S8-T12 VanDerWaalsContact O-OG1 3.04Å |
| 9 | L | 69.1 | Low | 66.7 | Low | 120 Ų | 120 | 100.1 Ų | 100.1 | 63% | 0.628 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -39.7 | 176 | -76.7 | 169.9 | 0 | 0 | 0 | 111.7 | Q5 L6 K7 A13 | Q5-L9 WeakPolarHBondContact O-CB 3.34Å; Q5-L9 WeakPolarHBondContact O-CG 3.34Å; Q5-L9 PolarHBondContact O-N 2.89Å; L6-L9 PolarHBondContact O-N 2.91Å; K7-L9 PolarHBondContact O-N 2.9Å; L9-A13 WeakPolarHBondContact O-CB 3.34Å; L9-A13 PolarHBondContact O-N 3.16Å |
| 10 | V | 68.4 | Low | 67.3 | Low | 24 Ų | 24 | 99 Ų | 99 | 15% | 0.145 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -69.1 | -40.4 | 177.3 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | L6 K7 S8 A13 K14 L21 A364 | L6-V10 HydrophobicContact CG-CG2 4.48Å; L6-V10 WeakPolarHBondContact O-CB 3.48Å; L6-V10 VanDerWaalsContact O-CG2 3.23Å; L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 3Å; K7-V10 PolarHBondContact O-N 2.88Å; S8-V10 VanDerWaalsContact C-N 3.33Å; S8-V10 PolarHBondContact O-N 3.4Å; V10-A13 PolarHBondContact O-N 3.26Å; V10-K14 VanDerWaalsContact O-CB 3.25Å; V10-K14 WeakPolarHBondContact O-CB 3.4Å; V10-K14 PolarHBondContact O-N 3.47Å; V10-L21 HydrophobicContact CG1-CD1 4.22Å; V10-L21 HydrophobicContact CG1-CD2 4.26Å; V10-A364 HydrophobicContact CG1-CB 3.56Å |
| 11 | D | 68.1 | Low | 67.9 | Low | 73 Ų | 73 | 95.4 Ų | 95.4 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.6 | -72 | -30.1 | 0 | 0 | 0 | 111.5 | K7 S8 K14 K15 | K7-D11 WeakPolarHBondContact O-CB 3.43Å; K7-D11 VanDerWaalsContact O-CG 3.26Å; K7-D11 PolarHBondContact O-N 3.1Å; S8-D11 PolarHBondContact O-N 2.85Å; D11-K14 PolarHBondContact O-N 3.42Å; D11-K15 PolarHBondContact O-N 3.49Å |
| 12 | T | 64.3 | Low | 69.1 | Low | 81 Ų | 81 | 90.8 Ų | 90.8 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 172.3 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | S8 K14 K15 D16 | S8-T12 PolarHBondContact O-N 3.2Å; S8-T12 PolarHBondContact O-OG1 3.2Å; S8-T12 VanDerWaalsContact O-OG1 3.04Å; T12-K14 VanDerWaalsContact C-N 3.27Å; T12-K14 PolarHBondContact O-N 2.9Å; T12-K15 PolarHBondContact O-N 3.44Å; T12-K15 VanDerWaalsContact O-N 3.15Å; T12-D16 WeakPolarHBondContact CG2-OD2 3.35Å; T12-D16 PolarHBondContact O-N 2.92Å |
| 13 | A | 59.3 | Low | 69.9 | Low | 33 Ų | 33 | 85.8 Ų | 85.8 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.3 | -33.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L9 V10 Y17 | L9-A13 WeakPolarHBondContact O-CB 3.34Å; L9-A13 PolarHBondContact O-N 3.16Å; V10-A13 PolarHBondContact O-N 3.26Å; A13-Y17 CarbonylContact O-C 3.2Å; A13-Y17 WeakPolarHBondContact O-CA 3.36Å; A13-Y17 PolarHBondContact O-N 3.41Å |
| 14 | K | 61.1 | Low | 70.8 | Confident | 90 Ų | 90 | 83.7 Ų | 83.7 | 39% | 0.391 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 176 | -178 | 179.6 | 178.4 | -177.6 | 0 | 111.6 | V10 D11 T12 L21 G365 | V10-K14 VanDerWaalsContact O-CB 3.25Å; V10-K14 WeakPolarHBondContact O-CB 3.4Å; V10-K14 PolarHBondContact O-N 3.47Å; D11-K14 PolarHBondContact O-N 3.42Å; T12-K14 VanDerWaalsContact C-N 3.27Å; T12-K14 PolarHBondContact O-N 2.9Å; K14-L21 HydrophobicContact CB-CD2 3.86Å; K14-L21 HydrophobicContact CG-CD2 4.39Å; K14-G365 PolarHBondContact NZ-O 3.03Å |
| 15 | K | 57.6 | Low | 71.5 | Confident | 181 Ų | 181 | 80.9 Ų | 80.9 | 79% | 0.787 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -75.3 | -43.9 | 179.8 | -168.2 | 178.4 | -179.6 | -177.1 | 0 | 111.9 | D11 T12 | D11-K15 PolarHBondContact O-N 3.49Å; T12-K15 PolarHBondContact O-N 3.44Å; T12-K15 VanDerWaalsContact O-N 3.15Å |
| 16 | D | 59.6 | Low | 72.1 | Confident | 91 Ų | 91 | 76.4 Ų | 76.4 | 49% | 0.487 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -90.4 | -33.6 | -170 | -60.9 | -21.2 | 0 | 0 | 0 | 113 | T12 | T12-D16 WeakPolarHBondContact CG2-OD2 3.35Å; T12-D16 PolarHBondContact O-N 2.92Å |
| 17 | Y | 65.1 | Low | 73 | Confident | 156 Ų | 156 | 72.9 Ų | 72.9 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | trans | -143.5 | 68.4 | -173.7 | -58.7 | -76.2 | 0 | 0 | 0 | 113.4 | A13 S19 T20 L21 | A13-Y17 CarbonylContact O-C 3.2Å; A13-Y17 WeakPolarHBondContact O-CA 3.36Å; A13-Y17 PolarHBondContact O-N 3.41Å; Y17-S19 PolarHBondContact O-N 3.01Å; Y17-S19 VanDerWaalsContact O-N 3.15Å; Y17-T20 PolarHBondContact O-N 3.17Å; Y17-T20 VanDerWaalsContact O-N 3.14Å; Y17-L21 PolarHBondContact O-N 3.35Å | ||
| 18 | P | 70.4 | Confident | 73.9 | Confident | 67 Ų | 67 | 70 Ų | 70 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.6 | -33.2 | -177.6 | 23.4 | -34.3 | 0 | 0 | 0 | 113.1 | K22 | P18-K22 VanDerWaalsContact O-CG 3.24Å; P18-K22 WeakPolarHBondContact O-CG 3.46Å; P18-K22 PolarHBondContact O-N 2.95Å; P18-K22 VanDerWaalsContact O-N 3.14Å |
| 19 | S | 70.9 | Confident | 74.9 | Confident | 90 Ų | 90 | 67 Ų | 67 | 63% | 0.629 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.1 | -41.3 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | Y17 K22 F23 | Y17-S19 PolarHBondContact O-N 3.01Å; Y17-S19 VanDerWaalsContact O-N 3.15Å; S19-K22 PolarHBondContact O-N 2.82Å; S19-F23 WeakPolarHBondContact O-CB 3.21Å; S19-F23 PolarHBondContact O-N 3.08Å |
| 20 | T | 77.1 | Confident | 76 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 178.3 | -52.2 | 0 | 0 | 0 | 0 | 111 | Y17 F23 C24 | Y17-T20 PolarHBondContact O-N 3.17Å; Y17-T20 VanDerWaalsContact O-N 3.14Å; T20-F23 WeakPolarHBondContact O-CB 2.97Å; T20-F23 PolarHBondContact O-N 3.26Å; T20-C24 PolarHBondContact O-N 3.13Å; T20-C24 PolarHBondContact O-SG 3.5Å; T20-C24 VanDerWaalsContact O-SG 3.41Å |
| 21 | L | 80.2 | Confident | 77.3 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 12% | 0.12 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 174.8 | -176.9 | 64.4 | 0 | 0 | 0 | 110.9 | V10 K14 Y17 F23 C24 M25 | V10-L21 HydrophobicContact CG1-CD1 4.22Å; V10-L21 HydrophobicContact CG1-CD2 4.26Å; K14-L21 HydrophobicContact CB-CD2 3.86Å; K14-L21 HydrophobicContact CG-CD2 4.39Å; Y17-L21 PolarHBondContact O-N 3.35Å; L21-F23 VanDerWaalsContact C-N 3.3Å; L21-F23 PolarHBondContact O-N 3.02Å; L21-C24 PolarHBondContact O-N 3.34Å; L21-M25 HydrophobicContact CD1-CG 4.48Å; L21-M25 HydrophobicContact CG-CE 4.11Å; L21-M25 HydrophobicContact CG-SD 4.37Å; L21-M25 VanDerWaalsContact O-CG 3.29Å; L21-M25 WeakPolarHBondContact O-CG 3.24Å; L21-M25 PolarHBondContact O-N 2.87Å |
| 22 | K | 80.4 | Confident | 78.6 | Confident | 83 Ų | 83 | 63.7 Ų | 63.7 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 174.7 | -74.4 | 171.6 | -175 | 179 | 0 | 112 | P18 S19 M25 C26 | P18-K22 VanDerWaalsContact O-CG 3.24Å; P18-K22 WeakPolarHBondContact O-CG 3.46Å; P18-K22 PolarHBondContact O-N 2.95Å; P18-K22 VanDerWaalsContact O-N 3.14Å; S19-K22 PolarHBondContact O-N 2.82Å; K22-M25 HydrophobicContact CG-CE 4.18Å; K22-M25 PolarHBondContact O-N 3.32Å; K22-C26 WeakPolarHBondContact O-CB 3.44Å; K22-C26 PolarHBondContact O-N 3.06Å; K22-C26 PolarHBondContact O-SG 3.27Å |
| 23 | F | 85.3 | Confident | 80 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 176 | 173.3 | -98 | 0 | 0 | 0 | 112.1 | S19 T20 L21 M25 C26 C27 I89 T92 | S19-F23 WeakPolarHBondContact O-CB 3.21Å; S19-F23 PolarHBondContact O-N 3.08Å; T20-F23 WeakPolarHBondContact O-CB 2.97Å; T20-F23 PolarHBondContact O-N 3.26Å; L21-F23 VanDerWaalsContact C-N 3.3Å; L21-F23 PolarHBondContact O-N 3.02Å; F23-M25 PolarHBondContact O-N 3.06Å; F23-C26 PolarHBondContact O-N 2.59Å; F23-C27 WeakPolarHBondContact CE2-SG 3.33Å; F23-C27 WeakPolarHBondContact CZ-SG 3.44Å; F23-C27 WeakPolarHBondContact O-CB 3.48Å; F23-C27 PolarHBondContact O-N 3Å; F23-C27 PolarHBondContact O-SG 2.96Å; F23-I89 HydrophobicContact CZ-CG2 4.23Å; F23-T92 HydrophobicContact CD2-CG2 3.75Å; F23-T92 HydrophobicContact CE2-CG2 3.91Å |
| 24 | C | 87.9 | Confident | 81.6 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 43% | 0.426 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 179 | -70 | 0 | 0 | 0 | 0 | 112.6 | T20 L21 S28 | T20-C24 PolarHBondContact O-N 3.13Å; T20-C24 PolarHBondContact O-SG 3.5Å; T20-C24 VanDerWaalsContact O-SG 3.41Å; L21-C24 PolarHBondContact O-N 3.34Å; C24-S28 WeakPolarHBondContact O-CB 3.46Å; C24-S28 PolarHBondContact O-N 3.1Å; C24-S28 PolarHBondContact O-OG 3.14Å |
| 25 | M | 86.7 | Confident | 83.2 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 5% | 0.054 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 176.4 | -65.4 | -170.8 | -65.6 | 0 | 0 | 111.5 | L21 K22 F23 S28 A29 Y357 I360 R361 A364 | L21-M25 HydrophobicContact CD1-CG 4.48Å; L21-M25 HydrophobicContact CG-CE 4.11Å; L21-M25 HydrophobicContact CG-SD 4.37Å; L21-M25 VanDerWaalsContact O-CG 3.29Å; L21-M25 WeakPolarHBondContact O-CG 3.24Å; L21-M25 PolarHBondContact O-N 2.87Å; K22-M25 HydrophobicContact CG-CE 4.18Å; K22-M25 PolarHBondContact O-N 3.32Å; F23-M25 PolarHBondContact O-N 3.06Å; M25-S28 PolarHBondContact O-N 2.98Å; M25-A29 WeakPolarHBondContact O-CB 3.22Å; M25-A29 PolarHBondContact O-N 3.41Å; M25-Y357 HydrophobicContact CB-CD2 4.24Å; M25-Y357 HydrophobicContact CB-CE2 3.87Å; M25-I360 HydrophobicContact CB-CG2 3.9Å; M25-I360 HydrophobicContact CG-CG2 3.56Å; M25-I360 HydrophobicContact SD-CG2 4.12Å; M25-R361 HydrophobicContact CE-CG 4.31Å; M25-R361 HydrophobicContact SD-CG 3.94Å; M25-A364 HydrophobicContact SD-CB 4.04Å |
| 26 | C | 87.6 | Confident | 85 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 10% | 0.101 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 176.8 | -73.9 | 0 | 0 | 0 | 0 | 112 | K22 F23 S28 A29 A30 T92 Y357 | K22-C26 WeakPolarHBondContact O-CB 3.44Å; K22-C26 PolarHBondContact O-N 3.06Å; K22-C26 PolarHBondContact O-SG 3.27Å; F23-C26 PolarHBondContact O-N 2.59Å; C26-S28 PolarHBondContact O-N 3.21Å; C26-A29 PolarHBondContact O-N 3.43Å; C26-A30 VanDerWaalsContact O-CB 3.23Å; C26-A30 WeakPolarHBondContact O-CB 3.33Å; C26-A30 PolarHBondContact O-N 3.27Å; C26-T92 HydrophobicContact CB-CG2 4.43Å; C26-Y357 VanDerWaalsContact SG-CE2 3.55Å |
| 27 | C | 90.9 | Very high | 86.5 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 178.9 | -76.3 | 0 | 0 | 0 | 0 | 111.7 | F23 A30 F31 | F23-C27 WeakPolarHBondContact CE2-SG 3.33Å; F23-C27 WeakPolarHBondContact CZ-SG 3.44Å; F23-C27 WeakPolarHBondContact O-CB 3.48Å; F23-C27 PolarHBondContact O-N 3Å; F23-C27 PolarHBondContact O-SG 2.96Å; C27-A30 PolarHBondContact O-N 3.25Å; C27-F31 HydrophobicContact CB-CE1 4.48Å; C27-F31 WeakPolarHBondContact O-CB 3.17Å; C27-F31 WeakPolarHBondContact O-CD1 3.35Å; C27-F31 VanDerWaalsContact O-CG 3.27Å; C27-F31 WeakPolarHBondContact O-CG 3.44Å; C27-F31 PolarHBondContact O-N 3.41Å |
| 28 | S | 91.4 | Very high | 87.9 | Confident | 62 Ų | 62 | 40.8 Ų | 40.8 | 43% | 0.434 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64 | -44.3 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 112 | C24 M25 C26 F31 L32 | C24-S28 WeakPolarHBondContact O-CB 3.46Å; C24-S28 PolarHBondContact O-N 3.1Å; C24-S28 PolarHBondContact O-OG 3.14Å; M25-S28 PolarHBondContact O-N 2.98Å; C26-S28 PolarHBondContact O-N 3.21Å; S28-F31 PolarHBondContact O-N 3.14Å; S28-L32 PolarHBondContact O-N 3.47Å |
| 29 | A | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | M25 C26 F31 L32 S33 F353 T356 Y357 I360 | M25-A29 WeakPolarHBondContact O-CB 3.22Å; M25-A29 PolarHBondContact O-N 3.41Å; C26-A29 PolarHBondContact O-N 3.43Å; A29-F31 VanDerWaalsContact C-N 3.32Å; A29-F31 PolarHBondContact O-N 3.41Å; A29-L32 PolarHBondContact O-N 3.28Å; A29-S33 WeakPolarHBondContact O-CB 3.43Å; A29-S33 PolarHBondContact O-N 3.36Å; A29-S33 VanDerWaalsContact O-N 3.07Å; A29-S33 PolarHBondContact O-OG 3.24Å; A29-F353 HydrophobicContact CB-CD2 3.91Å; A29-F353 HydrophobicContact CB-CE2 3.87Å; A29-T356 HydrophobicContact CB-CG2 4.03Å; A29-Y357 HydrophobicContact CB-CD2 4.34Å; A29-I360 HydrophobicContact CB-CD1 4.32Å |
| 30 | A | 93 | Very high | 89.9 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | C26 C27 S33 E34 H88 F353 | C26-A30 VanDerWaalsContact O-CB 3.23Å; C26-A30 WeakPolarHBondContact O-CB 3.33Å; C26-A30 PolarHBondContact O-N 3.27Å; C27-A30 PolarHBondContact O-N 3.25Å; A30-S33 PolarHBondContact O-N 2.91Å; A30-E34 VanDerWaalsContact O-CB 3.23Å; A30-E34 WeakPolarHBondContact O-CB 3.5Å; A30-E34 PolarHBondContact O-N 2.88Å; A30-H88 HydrophobicContact CB-CB 4.37Å; A30-F353 HydrophobicContact CB-CD2 4.33Å; A30-F353 HydrophobicContact CB-CE2 4.14Å |
| 31 | F | 94.6 | Very high | 90.6 | Very high | 62 Ų | 62 | 33.7 Ų | 33.7 | 27% | 0.272 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.3 | -46.3 | 179.6 | -80.1 | 23.9 | 0 | 0 | 0 | 112 | C27 S28 A29 T35 L85 H88 I89 | C27-F31 HydrophobicContact CB-CE1 4.48Å; C27-F31 WeakPolarHBondContact O-CB 3.17Å; C27-F31 WeakPolarHBondContact O-CD1 3.35Å; C27-F31 VanDerWaalsContact O-CG 3.27Å; C27-F31 WeakPolarHBondContact O-CG 3.44Å; C27-F31 PolarHBondContact O-N 3.41Å; S28-F31 PolarHBondContact O-N 3.14Å; A29-F31 VanDerWaalsContact C-N 3.32Å; A29-F31 PolarHBondContact O-N 3.41Å; F31-T35 WeakPolarHBondContact O-CB 3.28Å; F31-T35 PolarHBondContact O-N 3.09Å; F31-T35 PolarHBondContact O-OG1 3.13Å; F31-L85 HydrophobicContact CB-CD2 3.82Å; F31-L85 HydrophobicContact CD1-CB 4.33Å; F31-L85 HydrophobicContact CD1-CD2 3.92Å; F31-L85 HydrophobicContact CD2-CB 4.43Å; F31-L85 HydrophobicContact CD2-CD1 4.44Å; F31-L85 HydrophobicContact CD2-CD2 4.23Å; F31-L85 HydrophobicContact CE1-CB 4.18Å; F31-L85 WeakPolarHBondContact CE1-O 3.14Å; F31-L85 HydrophobicContact CE2-CB 4.25Å; F31-L85 HydrophobicContact CG-CB 4.47Å; F31-L85 HydrophobicContact CG-CD2 3.73Å; F31-L85 HydrophobicContact CZ-CB 4.12Å; F31-H88 HydrophobicContact CD1-CB 4.13Å; F31-H88 HydrophobicContact CE1-CB 3.8Å; F31-I89 HydrophobicContact CE1-CG1 4.09Å; F31-I89 HydrophobicContact CZ-CD1 3.91Å; F31-I89 HydrophobicContact CZ-CG1 3.68Å |
| 32 | L | 94.6 | Very high | 91.1 | Very high | 82 Ų | 82 | 32.6 Ų | 32.6 | 43% | 0.429 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 178.2 | -175.7 | 55.3 | 0 | 0 | 0 | 111 | S28 A29 T35 I36 T356 | S28-L32 PolarHBondContact O-N 3.47Å; A29-L32 PolarHBondContact O-N 3.28Å; L32-T35 PolarHBondContact O-N 2.73Å; L32-I36 HydrophobicContact CD1-CD1 3.92Å; L32-I36 HydrophobicContact CD1-CG1 4.43Å; L32-I36 HydrophobicContact CG-CD1 4.03Å; L32-I36 WeakPolarHBondContact O-CG1 3.32Å; L32-I36 PolarHBondContact O-N 3.15Å; L32-T356 HydrophobicContact CB-CG2 4.2Å; L32-T356 HydrophobicContact CD2-CG2 3.69Å; L32-T356 HydrophobicContact CG-CG2 4.49Å |
| 33 | S | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 179.3 | -52.1 | 0 | 0 | 0 | 0 | 112.7 | A29 A30 T37 T352 F353 | A29-S33 WeakPolarHBondContact O-CB 3.43Å; A29-S33 PolarHBondContact O-N 3.36Å; A29-S33 VanDerWaalsContact O-N 3.07Å; A29-S33 PolarHBondContact O-OG 3.24Å; A30-S33 PolarHBondContact O-N 2.91Å; S33-T37 WeakPolarHBondContact O-CB 2.91Å; S33-T37 WeakPolarHBondContact O-CG2 3.49Å; S33-T37 PolarHBondContact O-N 3.14Å; S33-T37 VanDerWaalsContact O-N 3.08Å; S33-T37 PolarHBondContact O-OG1 3.1Å; S33-T352 VanDerWaalsContact OG-C 3.26Å; S33-F353 WeakPolarHBondContact OG-CA 3.38Å; S33-F353 WeakPolarHBondContact OG-CB 3.3Å; S33-F353 PolarHBondContact OG-N 2.8Å |
| 34 | E | 94 | Very high | 92 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 174.2 | -168.7 | 82.1 | -174 | 0 | 0 | 109.9 | A30 I36 T37 Y38 A84 L85 R87 H88 K180 | A30-E34 VanDerWaalsContact O-CB 3.23Å; A30-E34 WeakPolarHBondContact O-CB 3.5Å; A30-E34 PolarHBondContact O-N 2.88Å; E34-I36 VanDerWaalsContact C-N 3.33Å; E34-I36 PolarHBondContact O-N 2.82Å; E34-T37 CarbonylContact O-C 3.42Å; E34-T37 PolarHBondContact O-N 3.49Å; E34-Y38 HydrophobicContact CG-CD2 4.16Å; E34-Y38 WeakPolarHBondContact O-CA 3.42Å; E34-Y38 WeakPolarHBondContact O-CB 3.17Å; E34-Y38 PolarHBondContact O-N 3.17Å; E34-A84 HydrophobicContact CG-CB 4.1Å; E34-L85 HydrophobicContact CB-CD2 4.22Å; E34-L85 HydrophobicContact CG-CD2 4.47Å; E34-R87 IonicContact OE2-NH2 2.77Å; E34-H88 IonicContact OE2-CD2 3.95Å; E34-H88 IonicContact OE2-CE1 3.7Å; E34-H88 IonicContact OE2-NE2 2.74Å; E34-H88 PolarHBondContact OE2-NE2 3.08Å; E34-K180 IonicContact OE1-NZ 3.87Å; E34-K180 PolarHBondContact OE1-NZ 3.46Å |
| 35 | T | 94.7 | Very high | 92.1 | Very high | 46 Ų | 46 | 25.3 Ų | 25.3 | 28% | 0.282 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -59.9 | -41.1 | -178 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | F31 L32 W78 L81 | F31-T35 WeakPolarHBondContact O-CB 3.28Å; F31-T35 PolarHBondContact O-N 3.09Å; F31-T35 PolarHBondContact O-OG1 3.13Å; L32-T35 PolarHBondContact O-N 2.73Å; T35-W78 PolarHBondContact O-NE1 3.13Å; T35-L81 HydrophobicContact CG2-CD2 4.13Å |
| 36 | I | 93.5 | Very high | 92.3 | Very high | 97 Ų | 97 | 25.1 Ų | 25.1 | 50% | 0.497 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -71.3 | -41 | 178.9 | -71.5 | 166.7 | 0 | 0 | 0 | 111.3 | L32 E34 T352 | L32-I36 HydrophobicContact CD1-CD1 3.92Å; L32-I36 HydrophobicContact CD1-CG1 4.43Å; L32-I36 HydrophobicContact CG-CD1 4.03Å; L32-I36 WeakPolarHBondContact O-CG1 3.32Å; L32-I36 PolarHBondContact O-N 3.15Å; E34-I36 VanDerWaalsContact C-N 3.33Å; E34-I36 PolarHBondContact O-N 2.82Å; I36-T352 HydrophobicContact CD1-CG2 3.71Å |
| 37 | T | 92.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -90.6 | -5.1 | -175.9 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | S33 E34 P39 L40 P348 W349 | S33-T37 WeakPolarHBondContact O-CB 2.91Å; S33-T37 WeakPolarHBondContact O-CG2 3.49Å; S33-T37 PolarHBondContact O-N 3.14Å; S33-T37 VanDerWaalsContact O-N 3.08Å; S33-T37 PolarHBondContact O-OG1 3.1Å; E34-T37 CarbonylContact O-C 3.42Å; E34-T37 PolarHBondContact O-N 3.49Å; T37-P39 VanDerWaalsContact C-CD 3.43Å; T37-L40 WeakPolarHBondContact O-CB 3.32Å; T37-L40 PolarHBondContact O-N 2.94Å; T37-P348 HydrophobicContact CG2-CB 4.14Å; T37-W349 HydrophobicContact CG2-CB 4.05Å |
| 38 | Y | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.7 | -38.2 | -175.5 | -157.8 | -97.5 | 0 | 0 | 0 | 115 | E34 L40 D41 I42 L77 Q79 G80 L81 A84 Q184 | E34-Y38 HydrophobicContact CG-CD2 4.16Å; E34-Y38 WeakPolarHBondContact O-CA 3.42Å; E34-Y38 WeakPolarHBondContact O-CB 3.17Å; E34-Y38 PolarHBondContact O-N 3.17Å; Y38-L40 PolarHBondContact O-N 3.11Å; Y38-D41 WeakPolarHBondContact O-CB 3.35Å; Y38-D41 PolarHBondContact O-N 3.04Å; Y38-I42 PolarHBondContact O-N 2.93Å; Y38-I42 VanDerWaalsContact O-N 3.13Å; Y38-L77 WeakPolarHBondContact CD1-O 3.31Å; Y38-L77 WeakPolarHBondContact CE1-O 3.17Å; Y38-Q79 WeakPolarHBondContact CE1-O 3.29Å; Y38-Q79 PolarHBondContact OH-O 3.46Å; Y38-Q79 VanDerWaalsContact OH-O 3.09Å; Y38-G80 VanDerWaalsContact CZ-C 3.41Å; Y38-G80 VanDerWaalsContact OH-CA 3.26Å; Y38-G80 WeakPolarHBondContact OH-CA 3.39Å; Y38-G80 PolarHBondContact OH-O 2.65Å; Y38-L81 HydrophobicContact CD2-CD1 3.74Å; Y38-L81 HydrophobicContact CE1-CB 4.45Å; Y38-L81 HydrophobicContact CE2-CD1 4.28Å; Y38-L81 HydrophobicContact CG-CD1 3.9Å; Y38-L81 PolarHBondContact OH-N 3.35Å; Y38-A84 HydrophobicContact CD2-CB 4.17Å; Y38-A84 HydrophobicContact CE2-CB 3.48Å; Y38-A84 VanDerWaalsContact CE2-CB 3.48Å; Y38-Q184 WeakPolarHBondContact OH-CG 3.36Å; Y38-Q184 PolarHBondContact OH-NE2 3.07Å |
| 39 | P | 92.7 | Very high | 92.3 | Very high | 24 Ų | 24 | 21 Ų | 21 | 16% | 0.156 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.6 | -30.6 | 174.6 | -28.8 | 38.5 | 0 | 0 | 0 | 114 | T37 I42 L43 L77 W78 | T37-P39 VanDerWaalsContact C-CD 3.43Å; P39-I42 VanDerWaalsContact O-CG2 3.32Å; P39-I42 WeakPolarHBondContact O-CG2 3.47Å; P39-L43 WeakPolarHBondContact O-CB 3.16Å; P39-L43 WeakPolarHBondContact O-CD1 3.34Å; P39-L43 WeakPolarHBondContact O-CG 3.45Å; P39-L43 PolarHBondContact O-N 3.12Å; P39-L77 HydrophobicContact CB-CB 4.05Å; P39-L77 HydrophobicContact CB-CD1 4.11Å; P39-L77 HydrophobicContact CG-CB 4.22Å; P39-W78 HydrophobicContact CG-CH2 4.16Å; P39-W78 HydrophobicContact CG-CZ2 3.77Å |
| 40 | L | 91.4 | Very high | 92.1 | Very high | 49 Ų | 49 | 21.1 Ų | 21.1 | 26% | 0.257 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -71.9 | -35.5 | 175.6 | -62.7 | 173.6 | 0 | 0 | 0 | 111.5 | T37 Y38 K44 L341 R345 | T37-L40 WeakPolarHBondContact O-CB 3.32Å; T37-L40 PolarHBondContact O-N 2.94Å; Y38-L40 PolarHBondContact O-N 3.11Å; L40-K44 VanDerWaalsContact O-CB 3.24Å; L40-K44 WeakPolarHBondContact O-CB 3.38Å; L40-K44 PolarHBondContact O-N 2.8Å; L40-L341 HydrophobicContact CD2-CD2 4.03Å; L40-R345 HydrophobicContact CB-CB 4.4Å; L40-R345 HydrophobicContact CB-CG 4.28Å; L40-R345 HydrophobicContact CD1-CB 4.02Å; L40-R345 HydrophobicContact CD1-CG 4.17Å |
| 41 | D | 91.5 | Very high | 91.3 | Very high | 14 Ų | 14 | 21.2 Ų | 21.2 | 8% | 0.075 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -44.8 | 177.7 | -91.6 | 14.3 | 0 | 0 | 0 | 112.2 | Y38 K44 T45 K180 R345 | Y38-D41 WeakPolarHBondContact O-CB 3.35Å; Y38-D41 PolarHBondContact O-N 3.04Å; D41-K44 PolarHBondContact O-N 3.37Å; D41-T45 WeakPolarHBondContact O-CG2 3.46Å; D41-T45 PolarHBondContact O-N 2.74Å; D41-T45 PolarHBondContact O-OG1 3.29Å; D41-K180 IonicContact OD2-NZ 2.85Å; D41-K180 PolarHBondContact OD2-NZ 3.39Å; D41-R345 WeakPolarHBondContact OD1-CD 3.41Å; D41-R345 IonicContact OD1-CZ 3.4Å; D41-R345 IonicContact OD1-NE 3.88Å; D41-R345 PolarHBondContact OD1-NE 3.37Å; D41-R345 IonicContact OD1-NH1 2.69Å |
| 42 | I | 90.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.9 | -40.3 | 178.7 | -159.9 | 172.3 | 0 | 0 | 0 | 111 | Y38 P39 T45 R46 K76 L77 Q79 Q184 | Y38-I42 PolarHBondContact O-N 2.93Å; Y38-I42 VanDerWaalsContact O-N 3.13Å; P39-I42 VanDerWaalsContact O-CG2 3.32Å; P39-I42 WeakPolarHBondContact O-CG2 3.47Å; I42-T45 WeakPolarHBondContact CA-OG1 3.11Å; I42-T45 PolarHBondContact O-N 3.24Å; I42-T45 PolarHBondContact O-OG1 3.05Å; I42-R46 WeakPolarHBondContact O-CB 3.25Å; I42-R46 WeakPolarHBondContact O-CG 3.28Å; I42-R46 PolarHBondContact O-N 3.39Å; I42-K76 WeakPolarHBondContact CD1-O 3.39Å; I42-L77 HydrophobicContact CG2-CB 4.14Å; I42-L77 HydrophobicContact CG2-CD2 3.55Å; I42-L77 HydrophobicContact CG2-CG 4.46Å; I42-L77 WeakPolarHBondContact CG2-O 3.38Å; I42-Q79 HydrophobicContact CD1-CB 4.38Å; I42-Q184 HydrophobicContact CG1-CB 4.24Å; I42-Q184 HydrophobicContact CG1-CG 4.27Å |
| 43 | L | 91.9 | Very high | 88.9 | Confident | 17 Ų | 17 | 17.5 Ų | 17.5 | 9% | 0.089 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.5 | -43.6 | 176.7 | -70 | 172.4 | 0 | 0 | 0 | 111.1 | P39 R46 I47 C65 V68 L77 L341 | P39-L43 WeakPolarHBondContact O-CB 3.16Å; P39-L43 WeakPolarHBondContact O-CD1 3.34Å; P39-L43 WeakPolarHBondContact O-CG 3.45Å; P39-L43 PolarHBondContact O-N 3.12Å; L43-R46 PolarHBondContact O-N 2.77Å; L43-I47 WeakPolarHBondContact O-CB 3.32Å; L43-I47 WeakPolarHBondContact O-CD1 3.34Å; L43-I47 VanDerWaalsContact O-CG1 3.32Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3.48Å; L43-C65 HydrophobicContact CD2-CB 4.17Å; L43-V68 HydrophobicContact CD2-CB 4.39Å; L43-V68 HydrophobicContact CD2-CG1 4.41Å; L43-L77 HydrophobicContact CD2-CD2 4.21Å; L43-L77 HydrophobicContact CG-CD2 4.32Å; L43-L341 HydrophobicContact CB-CD1 3.96Å |
| 44 | K | 92.2 | Very high | 87.7 | Confident | 22 Ų | 22 | 23.4 Ų | 23.4 | 10% | 0.096 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55 | -55.4 | 173.7 | 172.5 | -165.7 | 169.5 | 173.3 | 0 | 110.5 | L40 D41 R46 I47 Q48 D292 L341 I342 | L40-K44 VanDerWaalsContact O-CB 3.24Å; L40-K44 WeakPolarHBondContact O-CB 3.38Å; L40-K44 PolarHBondContact O-N 2.8Å; D41-K44 PolarHBondContact O-N 3.37Å; K44-R46 PolarHBondContact O-N 2.98Å; K44-I47 PolarHBondContact O-N 3.41Å; K44-Q48 VanDerWaalsContact CE-NE2 3.32Å; K44-Q48 HydrophobicContact CG-CG 4.38Å; K44-Q48 VanDerWaalsContact O-CG 3.28Å; K44-Q48 WeakPolarHBondContact O-CG 3.25Å; K44-Q48 PolarHBondContact O-N 2.91Å; K44-D292 IonicContact NZ-OD1 3.61Å; K44-D292 IonicContact NZ-OD2 2.86Å; K44-D292 PolarHBondContact NZ-OD2 3.15Å; K44-L341 HydrophobicContact CB-CB 4.21Å; K44-L341 HydrophobicContact CB-CD1 4.32Å; K44-I342 HydrophobicContact CD-CD1 4.39Å; K44-I342 HydrophobicContact CD-CG1 3.65Å; K44-I342 HydrophobicContact CG-CG1 4.17Å |
| 45 | T | 91.7 | Very high | 86.1 | Confident | 9 Ų | 9 | 28.6 Ų | 28.6 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | -176.1 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | D41 I42 I47 Q48 V49 T296 | D41-T45 WeakPolarHBondContact O-CG2 3.46Å; D41-T45 PolarHBondContact O-N 2.74Å; D41-T45 PolarHBondContact O-OG1 3.29Å; I42-T45 WeakPolarHBondContact CA-OG1 3.11Å; I42-T45 PolarHBondContact O-N 3.24Å; I42-T45 PolarHBondContact O-OG1 3.05Å; T45-I47 PolarHBondContact O-N 3.33Å; T45-Q48 PolarHBondContact O-N 3.24Å; T45-V49 VanDerWaalsContact O-CG2 3.25Å; T45-V49 WeakPolarHBondContact O-CG2 3.38Å; T45-V49 PolarHBondContact O-N 3.45Å; T45-T296 HydrophobicContact CG2-CG2 4.04Å |
| 46 | R | 90.4 | Very high | 84.8 | Confident | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.2 | -45.6 | 172.2 | -73.8 | -88 | -162.5 | -101.5 | -22.5 | 112.2 | I42 L43 K44 V49 Y50 E72 Q184 T185 R187 | I42-R46 WeakPolarHBondContact O-CB 3.25Å; I42-R46 WeakPolarHBondContact O-CG 3.28Å; I42-R46 PolarHBondContact O-N 3.39Å; L43-R46 PolarHBondContact O-N 2.77Å; K44-R46 PolarHBondContact O-N 2.98Å; R46-V49 PolarHBondContact O-N 3.46Å; R46-Y50 PolarHBondContact O-N 2.9Å; R46-E72 IonicContact CZ-OE1 2.98Å; R46-E72 IonicContact CZ-OE2 2.87Å; R46-E72 IonicContact NE-OE1 3.22Å; R46-E72 PolarHBondContact NE-OE1 2.74Å; R46-E72 IonicContact NE-OE2 3.45Å; R46-E72 IonicContact NH2-OE1 3.74Å; R46-E72 PolarHBondContact NH2-OE1 2.9Å; R46-E72 IonicContact NH2-OE2 2.67Å; R46-E72 PolarHBondContact NH2-OE2 2.97Å; R46-Q184 PolarHBondContact NH1-O 2.67Å; R46-Q184 PolarHBondContact NH2-O 3.38Å; R46-Q184 VanDerWaalsContact NH2-O 3.14Å; R46-T185 PolarHBondContact NH1-O 3.25Å; R46-R187 VanDerWaalsContact NH1-N 3.17Å |
| 47 | I | 90.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.9 | -39.4 | -179.7 | -76.6 | 161.2 | 0 | 0 | 0 | 112.2 | L43 K44 T45 V49 Y50 Y58 V61 I64 K337 L341 | L43-I47 WeakPolarHBondContact O-CB 3.32Å; L43-I47 WeakPolarHBondContact O-CD1 3.34Å; L43-I47 VanDerWaalsContact O-CG1 3.32Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3.48Å; K44-I47 PolarHBondContact O-N 3.41Å; T45-I47 PolarHBondContact O-N 3.33Å; I47-V49 VanDerWaalsContact C-N 3.26Å; I47-V49 PolarHBondContact O-N 3.01Å; I47-Y50 WeakPolarHBondContact O-CB 3.49Å; I47-Y50 PolarHBondContact O-N 3.47Å; I47-Y58 HydrophobicContact CG2-CE2 4.03Å; I47-Y58 WeakPolarHBondContact CG2-OH 3.35Å; I47-V61 HydrophobicContact CD1-CB 4.22Å; I47-V61 HydrophobicContact CD1-CG1 3.76Å; I47-V61 HydrophobicContact CD1-CG2 4.17Å; I47-I64 HydrophobicContact CG1-CB 4.25Å; I47-I64 HydrophobicContact CG1-CD1 3.86Å; I47-I64 HydrophobicContact CG1-CG2 3.93Å; I47-K337 HydrophobicContact CG2-CB 3.86Å; I47-L341 HydrophobicContact CD1-CD1 3.49Å; I47-L341 VanDerWaalsContact CD1-CD1 3.49Å |
| 48 | Q | 90.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.6 | -35.9 | 179.8 | -75.4 | -177.4 | -34.4 | 0 | 0 | 112.3 | K44 T45 M293 T296 R297 | K44-Q48 VanDerWaalsContact CE-NE2 3.32Å; K44-Q48 HydrophobicContact CG-CG 4.38Å; K44-Q48 VanDerWaalsContact O-CG 3.28Å; K44-Q48 WeakPolarHBondContact O-CG 3.25Å; K44-Q48 PolarHBondContact O-N 2.91Å; T45-Q48 PolarHBondContact O-N 3.24Å; Q48-M293 HydrophobicContact CB-CE 3.94Å; Q48-M293 HydrophobicContact CB-SD 3.57Å; Q48-M293 VanDerWaalsContact CB-SD 3.57Å; Q48-M293 HydrophobicContact CG-CE 3.86Å; Q48-M293 HydrophobicContact CG-SD 3.97Å; Q48-T296 HydrophobicContact CB-CG2 4.35Å; Q48-T296 PolarHBondContact OE1-OG1 3.43Å; Q48-R297 PolarHBondContact O-NE 2.96Å; Q48-R297 PolarHBondContact O-NH2 3.2Å |
| 49 | V | 88.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 2.2 | -177.5 | -158.6 | 0 | 0 | 0 | 0 | 112 | T45 R46 I47 G51 E52 T185 R188 T296 N300 | T45-V49 VanDerWaalsContact O-CG2 3.25Å; T45-V49 WeakPolarHBondContact O-CG2 3.38Å; T45-V49 PolarHBondContact O-N 3.45Å; R46-V49 PolarHBondContact O-N 3.46Å; I47-V49 VanDerWaalsContact C-N 3.26Å; I47-V49 PolarHBondContact O-N 3.01Å; V49-G51 PolarHBondContact O-N 2.87Å; V49-E52 HydrophobicContact CG1-CB 4.32Å; V49-E52 WeakPolarHBondContact O-CB 3.07Å; V49-E52 PolarHBondContact O-N 3.36Å; V49-T185 HydrophobicContact CG2-CG2 3.96Å; V49-R188 PolarHBondContact O-NH1 2.94Å; V49-R188 VanDerWaalsContact O-NH1 3.16Å; V49-T296 HydrophobicContact CG2-CG2 3.4Å; V49-T296 VanDerWaalsContact CG2-CG2 3.4Å; V49-N300 HydrophobicContact CG1-CB 4.18Å; V49-N300 WeakPolarHBondContact CG1-ND2 3.45Å; V49-N300 HydrophobicContact CG2-CB 4.36Å |
| 50 | Y | 86.2 | Confident | 82.5 | Confident | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 127.7 | 177.3 | -176.9 | -83.6 | 0 | 0 | 0 | 111.5 | R46 I47 E52 Y58 P59 I64 E192 L195 N196 K337 | R46-Y50 PolarHBondContact O-N 2.9Å; I47-Y50 WeakPolarHBondContact O-CB 3.49Å; I47-Y50 PolarHBondContact O-N 3.47Å; Y50-E52 VanDerWaalsContact C-N 3.25Å; Y50-E52 PolarHBondContact O-N 2.92Å; Y50-Y58 AromaticContact CD1-CD2 4Å; Y50-Y58 HydrophobicContact CD1-CD2 4Å; Y50-P59 HydrophobicContact CE1-CG 4.04Å; Y50-P59 HydrophobicContact CE2-CG 4.24Å; Y50-P59 VanDerWaalsContact CZ-CD 3.48Å; Y50-I64 HydrophobicContact CD1-CD1 4.37Å; Y50-I64 HydrophobicContact CD2-CD1 3.86Å; Y50-I64 HydrophobicContact CD2-CG1 4.16Å; Y50-I64 HydrophobicContact CE2-CD1 4.33Å; Y50-I64 HydrophobicContact CE2-CG1 4.3Å; Y50-I64 HydrophobicContact CG-CD1 3.87Å; Y50-E192 WeakPolarHBondContact CA-OE1 3.36Å; Y50-E192 HydrophobicContact CD2-CG 3.65Å; Y50-E192 HydrophobicContact CE2-CB 4.45Å; Y50-E192 HydrophobicContact CE2-CG 3.7Å; Y50-L195 HydrophobicContact CE2-CD2 3.94Å; Y50-N196 PolarHBondContact OH-OD1 2.71Å; Y50-K337 PolarHBondContact O-NZ 3.23Å |
| 51 | G | 76.1 | Confident | 82.3 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 6% | 0.062 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 28.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V49 L53 Q54 | V49-G51 PolarHBondContact O-N 2.87Å; G51-L53 PolarHBondContact O-N 3.49Å; G51-Q54 PolarHBondContact O-N 3.22Å |
| 52 | E | 78.4 | Confident | 82.2 | Confident | 21 Ų | 21 | 38.9 Ų | 38.9 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 111.3 | 178.1 | 177.8 | 173 | -137.7 | 0 | 0 | 111.1 | V49 Y50 Q54 R188 N300 L315 Y316 | V49-E52 HydrophobicContact CG1-CB 4.32Å; V49-E52 WeakPolarHBondContact O-CB 3.07Å; V49-E52 PolarHBondContact O-N 3.36Å; Y50-E52 VanDerWaalsContact C-N 3.25Å; Y50-E52 PolarHBondContact O-N 2.92Å; E52-Q54 PolarHBondContact O-N 3.06Å; E52-R188 IonicContact OE2-CZ 3.06Å; E52-R188 IonicContact OE2-NH1 3.37Å; E52-R188 PolarHBondContact OE2-NH1 3.16Å; E52-R188 IonicContact OE2-NH2 2.76Å; E52-R188 PolarHBondContact OE2-NH2 3.16Å; E52-N300 PolarHBondContact OE2-ND2 3.44Å; E52-L315 HydrophobicContact CG-CD2 4.07Å; E52-Y316 VanDerWaalsContact CG-OH 3.28Å; E52-Y316 WeakPolarHBondContact CG-OH 3.11Å; E52-Y316 VanDerWaalsContact OE1-CE2 3.25Å; E52-Y316 WeakPolarHBondContact OE1-CE2 3.47Å; E52-Y316 PolarHBondContact OE1-OH 2.87Å |
| 53 | L | 61.7 | Low | 82.1 | Confident | 45 Ų | 45 | 45 Ų | 45 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | -1.5 | -180 | -54.5 | 178 | 0 | 0 | 0 | 116.8 | G51 L315 Y316 K325 N329 E330 | G51-L53 PolarHBondContact O-N 3.49Å; L53-L315 HydrophobicContact CD1-CD1 3.23Å; L53-L315 HydrophobicContact CD1-CD2 3.61Å; L53-L315 HydrophobicContact CD1-CG 3.38Å; L53-L315 HydrophobicContact CG-CD2 4.46Å; L53-Y316 HydrophobicContact CD1-CE1 4.31Å; L53-Y316 HydrophobicContact CD2-CE1 4.13Å; L53-Y316 HydrophobicContact CG-CE1 4.49Å; L53-K325 HydrophobicContact CD2-CB 3.98Å; L53-N329 WeakPolarHBondContact CD2-ND2 3.14Å; L53-E330 PolarHBondContact N-OE1 3.34Å |
| 54 | Q | 68.3 | Low | 82 | Confident | 125 Ų | 125 | 44.3 Ų | 44.3 | 58% | 0.584 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -95.1 | 128.8 | 167.6 | -67.2 | -177.5 | -6.5 | 0 | 0 | 107.6 | G51 E52 S56 | G51-Q54 PolarHBondContact O-N 3.22Å; E52-Q54 PolarHBondContact O-N 3.06Å; Q54-S56 PolarHBondContact O-N 3.01Å |
| 55 | S | 60.5 | Low | 81.8 | Confident | 111 Ų | 111 | 44.4 Ų | 44.4 | 78% | 0.776 | 25% | 0.25 | S | S | * | . | trans | -69.2 | 35 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | S57 | S55-S57 PolarHBondContact O-N 3.21Š| ||
| 56 | S | 68.8 | Low | 81.8 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | trans | -68.2 | 128.9 | 172.8 | -67.6 | 0 | 0 | 0 | 0 | 109.6 | Q54 Y58 N196 | Q54-S56 PolarHBondContact O-N 3.01Å; S56-Y58 PolarHBondContact O-N 2.99Å; S56-N196 PolarHBondContact OG-ND2 3.13Å | ||
| 57 | S | 74 | Confident | 81.6 | Confident | 103 Ų | 103 | 47.2 Ų | 47.2 | 72% | 0.72 | 27% | 0.271 | S | S | * | . | trans | -56.8 | 134.3 | 175.4 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | S55 P59 | S55-S57 PolarHBondContact O-N 3.21Å; S57-P59 VanDerWaalsContact O-CD 3.22Å; S57-P59 WeakPolarHBondContact O-CD 3.4Å | ||
| 58 | Y | 80.6 | Confident | 81.5 | Confident | 73 Ų | 73 | 47.2 Ų | 47.2 | 29% | 0.286 | 27% | 0.272 | S | S | . | . | trans | -72.9 | 113.5 | 177.8 | 179.7 | -107.1 | 0 | 0 | 0 | 109.6 | I47 Y50 S56 G60 V61 I64 K337 | I47-Y58 HydrophobicContact CG2-CE2 4.03Å; I47-Y58 WeakPolarHBondContact CG2-OH 3.35Å; Y50-Y58 AromaticContact CD1-CD2 4Å; Y50-Y58 HydrophobicContact CD1-CD2 4Å; S56-Y58 PolarHBondContact O-N 2.99Å; Y58-G60 VanDerWaalsContact CE1-CA 3.47Å; Y58-G60 PolarHBondContact O-N 3.02Å; Y58-V61 WeakPolarHBondContact OH-CG2 3.39Å; Y58-V61 PolarHBondContact OH-N 2.96Å; Y58-I64 HydrophobicContact CD2-CD1 4.18Å; Y58-I64 HydrophobicContact CE2-CD1 3.51Å; Y58-K337 HydrophobicContact CD2-CD 3.96Å; Y58-K337 HydrophobicContact CD2-CG 4.25Å; Y58-K337 HydrophobicContact CE2-CD 4.12Å; Y58-K337 HydrophobicContact CE2-CG 4.11Å | ||
| 59 | P | 81.5 | Confident | 81.4 | Confident | 30 Ų | 30 | 51 Ų | 51 | 20% | 0.195 | 29% | 0.291 | C | S | . | . | trans | -79.8 | -5.1 | -169.8 | 30.9 | -34.2 | 0 | 0 | 0 | 113.3 | Y50 S57 K63 I64 L195 | Y50-P59 HydrophobicContact CE1-CG 4.04Å; Y50-P59 HydrophobicContact CE2-CG 4.24Å; Y50-P59 VanDerWaalsContact CZ-CD 3.48Å; S57-P59 VanDerWaalsContact O-CD 3.22Å; S57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-K63 HydrophobicContact CB-CB 4.25Å; P59-K63 HydrophobicContact CB-CD 4.17Å; P59-K63 VanDerWaalsContact O-CD 3.31Å; P59-K63 WeakPolarHBondContact O-CD 3.2Å; P59-I64 HydrophobicContact CG-CD1 4.16Å; P59-I64 HydrophobicContact CG-CG1 3.88Å; P59-L195 HydrophobicContact CB-CD1 4.03Å; P59-L195 HydrophobicContact CB-CD2 3.88Å; P59-L195 HydrophobicContact CB-CG 3.98Å; P59-L195 HydrophobicContact CG-CD1 4.27Å; P59-L195 HydrophobicContact CG-CD2 3.21Å; P59-L195 HydrophobicContact CG-CG 3.72Å | ||
| 60 | G | 86 | Confident | 81.3 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 24% | 0.237 | 33% | 0.326 | C | S | . | . | trans | 97.6 | 154.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y58 I62 K63 I64 | Y58-G60 VanDerWaalsContact CE1-CA 3.47Å; Y58-G60 PolarHBondContact O-N 3.02Å; G60-I62 PolarHBondContact O-N 2.91Å; G60-K63 PolarHBondContact O-N 2.54Å; G60-I64 WeakPolarHBondContact O-CG1 3.11Å; G60-I64 PolarHBondContact O-N 2.99Å | ||
| 61 | V | 87.5 | Confident | 81.3 | Confident | 43 Ų | 43 | 63 Ų | 63 | 26% | 0.261 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.7 | -49.1 | -178.2 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | I47 Y58 K63 I64 C65 L341 | I47-V61 HydrophobicContact CD1-CB 4.22Å; I47-V61 HydrophobicContact CD1-CG1 3.76Å; I47-V61 HydrophobicContact CD1-CG2 4.17Å; Y58-V61 WeakPolarHBondContact OH-CG2 3.39Å; Y58-V61 PolarHBondContact OH-N 2.96Å; V61-K63 PolarHBondContact O-N 2.87Å; V61-I64 PolarHBondContact O-N 3.32Å; V61-C65 PolarHBondContact O-N 3.35Å; V61-C65 PolarHBondContact O-SG 3.17Å; V61-L341 HydrophobicContact CG1-CD1 4.41Å |
| 62 | I | 89.7 | Confident | 81.6 | Confident | 145 Ų | 145 | 63.4 Ų | 63.4 | 74% | 0.744 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.2 | -42.1 | -173.8 | -61 | 172 | 0 | 0 | 0 | 111.6 | G60 C65 S66 | G60-I62 PolarHBondContact O-N 2.91Å; I62-C65 PolarHBondContact O-N 3.3Å; I62-S66 WeakPolarHBondContact O-CB 3.29Å; I62-S66 PolarHBondContact O-N 2.94Å |
| 63 | K | 89.4 | Confident | 82 | Confident | 129 Ų | 129 | 63.8 Ų | 63.8 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.7 | -40.3 | 178.6 | -67.4 | -166.9 | -172.1 | 171.2 | 0 | 111.7 | P59 G60 V61 S66 S67 L195 | P59-K63 HydrophobicContact CB-CB 4.25Å; P59-K63 HydrophobicContact CB-CD 4.17Å; P59-K63 VanDerWaalsContact O-CD 3.31Å; P59-K63 WeakPolarHBondContact O-CD 3.2Å; G60-K63 PolarHBondContact O-N 2.54Å; V61-K63 PolarHBondContact O-N 2.87Å; K63-S66 PolarHBondContact O-N 3.11Å; K63-S67 WeakPolarHBondContact O-CB 3.42Å; K63-S67 PolarHBondContact O-N 3.09Å; K63-L195 HydrophobicContact CB-CD1 4.32Å |
| 64 | I | 88.1 | Confident | 83.2 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 175.3 | -64.2 | 167.6 | 0 | 0 | 0 | 109.9 | I47 Y50 Y58 P59 G60 V61 S66 S67 V68 L195 | I47-I64 HydrophobicContact CG1-CB 4.25Å; I47-I64 HydrophobicContact CG1-CD1 3.86Å; I47-I64 HydrophobicContact CG1-CG2 3.93Å; Y50-I64 HydrophobicContact CD1-CD1 4.37Å; Y50-I64 HydrophobicContact CD2-CD1 3.86Å; Y50-I64 HydrophobicContact CD2-CG1 4.16Å; Y50-I64 HydrophobicContact CE2-CD1 4.33Å; Y50-I64 HydrophobicContact CE2-CG1 4.3Å; Y50-I64 HydrophobicContact CG-CD1 3.87Å; Y58-I64 HydrophobicContact CD2-CD1 4.18Å; Y58-I64 HydrophobicContact CE2-CD1 3.51Å; P59-I64 HydrophobicContact CG-CD1 4.16Å; P59-I64 HydrophobicContact CG-CG1 3.88Å; G60-I64 WeakPolarHBondContact O-CG1 3.11Å; G60-I64 PolarHBondContact O-N 2.99Å; V61-I64 PolarHBondContact O-N 3.32Å; I64-S66 VanDerWaalsContact C-N 3.34Å; I64-S66 PolarHBondContact O-N 3.25Å; I64-S67 PolarHBondContact O-N 2.97Å; I64-V68 HydrophobicContact CG2-CG2 4.32Å; I64-V68 WeakPolarHBondContact O-CG2 3.37Å; I64-V68 PolarHBondContact O-N 3.21Å; I64-L195 HydrophobicContact CG1-CD2 3.83Å |
| 65 | C | 88.9 | Confident | 84.1 | Confident | 23 Ų | 23 | 69 Ų | 69 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 177.4 | -64.7 | 0 | 0 | 0 | 0 | 112 | L43 V61 I62 V68 I69 | L43-C65 HydrophobicContact CD2-CB 4.17Å; V61-C65 PolarHBondContact O-N 3.35Å; V61-C65 PolarHBondContact O-SG 3.17Å; I62-C65 PolarHBondContact O-N 3.3Å; C65-V68 PolarHBondContact O-N 3.4Å; C65-I69 WeakPolarHBondContact O-CG1 3.35Å; C65-I69 PolarHBondContact O-N 2.89Å |
| 66 | S | 91.1 | Very high | 85.3 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | I62 K63 I64 I69 R70 | I62-S66 WeakPolarHBondContact O-CB 3.29Å; I62-S66 PolarHBondContact O-N 2.94Å; K63-S66 PolarHBondContact O-N 3.11Å; I64-S66 VanDerWaalsContact C-N 3.34Å; I64-S66 PolarHBondContact O-N 3.25Å; S66-I69 PolarHBondContact O-N 3.4Å; S66-R70 WeakPolarHBondContact O-CB 3.27Å; S66-R70 PolarHBondContact O-N 3.26Å |
| 67 | S | 87.7 | Confident | 86.3 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.028 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 112 | K63 I64 R70 N71 S191 | K63-S67 WeakPolarHBondContact O-CB 3.42Å; K63-S67 PolarHBondContact O-N 3.09Å; I64-S67 PolarHBondContact O-N 2.97Å; S67-R70 PolarHBondContact O-N 3Å; S67-N71 WeakPolarHBondContact O-CB 3.48Å; S67-N71 VanDerWaalsContact O-CG 3.31Å; S67-N71 PolarHBondContact O-N 3Å; S67-N71 PolarHBondContact O-ND2 3.48Å; S67-N71 PolarHBondContact OG-ND2 2.77Å; S67-S191 WeakPolarHBondContact CB-OG 3.26Å; S67-S191 PolarHBondContact OG-O 2.8Å; S67-S191 PolarHBondContact OG-OG 2.94Å |
| 68 | V | 87.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 177.7 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | L43 I64 C65 R70 E72 G73 L77 | L43-V68 HydrophobicContact CD2-CB 4.39Å; L43-V68 HydrophobicContact CD2-CG1 4.41Å; I64-V68 HydrophobicContact CG2-CG2 4.32Å; I64-V68 WeakPolarHBondContact O-CG2 3.37Å; I64-V68 PolarHBondContact O-N 3.21Å; C65-V68 PolarHBondContact O-N 3.4Å; V68-R70 PolarHBondContact O-N 3.42Å; V68-E72 WeakPolarHBondContact O-CA 3.44Å; V68-E72 VanDerWaalsContact O-CB 3.24Å; V68-E72 WeakPolarHBondContact O-CB 3.2Å; V68-E72 PolarHBondContact O-N 3.17Å; V68-G73 PolarHBondContact O-N 3.41Å; V68-L77 HydrophobicContact CG1-CD2 3.84Å |
| 69 | I | 89 | Confident | 87.4 | Confident | 80 Ų | 80 | 62.7 Ų | 62.7 | 41% | 0.41 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | -179 | -66.2 | 167.8 | 0 | 0 | 0 | 110.9 | C65 S66 G73 L77 | C65-I69 WeakPolarHBondContact O-CG1 3.35Å; C65-I69 PolarHBondContact O-N 2.89Å; S66-I69 PolarHBondContact O-N 3.4Å; I69-G73 WeakPolarHBondContact O-CA 3.38Å; I69-G73 PolarHBondContact O-N 3.43Å; I69-G73 VanDerWaalsContact O-N 3.1Å; I69-L77 HydrophobicContact CG1-CD1 4.38Å |
| 70 | R | 87.7 | Confident | 87.7 | Confident | 194 Ų | 194 | 61.6 Ų | 61.6 | 73% | 0.732 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -70.9 | -39.1 | -177.9 | -172.7 | 175.8 | -178.7 | 176.7 | 0.4 | 112.9 | S66 S67 V68 | S66-R70 WeakPolarHBondContact O-CB 3.27Å; S66-R70 PolarHBondContact O-N 3.26Å; S67-R70 PolarHBondContact O-N 3Å; V68-R70 PolarHBondContact O-N 3.42Å |
| 71 | N | 84.7 | Confident | 88 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -95.9 | -34.1 | -172.6 | -63.4 | -45.4 | 0 | 0 | 0 | 113.5 | S67 H194 | S67-N71 WeakPolarHBondContact O-CB 3.48Å; S67-N71 VanDerWaalsContact O-CG 3.31Å; S67-N71 PolarHBondContact O-N 3Å; S67-N71 PolarHBondContact O-ND2 3.48Å; S67-N71 PolarHBondContact OG-ND2 2.77Å; N71-H194 VanDerWaalsContact ND2-CB 3.33Å; N71-H194 WeakPolarHBondContact ND2-CB 3.31Å; N71-H194 PolarHBondContact ND2-CD2 2.8Å; N71-H194 VanDerWaalsContact ND2-CD2 3.26Å |
| 72 | E | 83 | Confident | 88.2 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -97.5 | -29.1 | -179.9 | -55.2 | -176.4 | -152.4 | 0 | 0 | 112.2 | R46 V68 K76 R187 | R46-E72 IonicContact CZ-OE1 2.98Å; R46-E72 IonicContact CZ-OE2 2.87Å; R46-E72 IonicContact NE-OE1 3.22Å; R46-E72 PolarHBondContact NE-OE1 2.74Å; R46-E72 IonicContact NE-OE2 3.45Å; R46-E72 IonicContact NH2-OE1 3.74Å; R46-E72 PolarHBondContact NH2-OE1 2.9Å; R46-E72 IonicContact NH2-OE2 2.67Å; R46-E72 PolarHBondContact NH2-OE2 2.97Å; V68-E72 WeakPolarHBondContact O-CA 3.44Å; V68-E72 VanDerWaalsContact O-CB 3.24Å; V68-E72 WeakPolarHBondContact O-CB 3.2Å; V68-E72 PolarHBondContact O-N 3.17Å; E72-K76 HydrophobicContact CB-CB 3.96Å; E72-K76 HydrophobicContact CB-CG 4.15Å; E72-K76 WeakPolarHBondContact O-CG 3.37Å; E72-R187 HydrophobicContact CG-CB 4.47Å |
| 73 | G | 86 | Confident | 88.3 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | trans | 89.8 | 154.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V68 I69 F75 K76 | V68-G73 PolarHBondContact O-N 3.41Å; I69-G73 WeakPolarHBondContact O-CA 3.38Å; I69-G73 PolarHBondContact O-N 3.43Å; I69-G73 VanDerWaalsContact O-N 3.1Å; G73-F75 PolarHBondContact O-N 2.95Å; G73-K76 WeakPolarHBondContact O-CB 3.29Å; G73-K76 PolarHBondContact O-N 3.48Å; G73-K76 VanDerWaalsContact O-N 3.13Å | ||
| 74 | L | 88 | Confident | 88.4 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -58.3 | -43.8 | -173.3 | -173.9 | 69.5 | 0 | 0 | 0 | 113.4 | K76 L77 W78 | L74-K76 PolarHBondContact O-N 3.24Å; L74-K76 VanDerWaalsContact O-N 3.13Å; L74-L77 HydrophobicContact CD1-CD1 3.86Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 WeakPolarHBondContact O-CG 3.31Å; L74-L77 PolarHBondContact O-N 2.7Å; L74-L77 VanDerWaalsContact O-N 3.09Å; L74-W78 HydrophobicContact CG-CZ3 4.43Å |
| 75 | F | 87.7 | Confident | 88.7 | Confident | 183 Ų | 183 | 52 Ų | 52 | 80% | 0.803 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -64.3 | -19.2 | -178.6 | -67.2 | -68.1 | 0 | 0 | 0 | 113.8 | G73 L77 W78 | G73-F75 PolarHBondContact O-N 2.95Å; F75-L77 PolarHBondContact O-N 3.18Å; F75-W78 PolarHBondContact O-N 2.91Å |
| 76 | K | 85.3 | Confident | 88.9 | Confident | 60 Ų | 60 | 55 Ų | 55 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -74.2 | -14 | 177.2 | -62.7 | -56.9 | -177.9 | -178.5 | 0 | 113.1 | I42 E72 G73 L74 W78 Q79 | I42-K76 WeakPolarHBondContact CD1-O 3.39Å; E72-K76 HydrophobicContact CB-CB 3.96Å; E72-K76 HydrophobicContact CB-CG 4.15Å; E72-K76 WeakPolarHBondContact O-CG 3.37Å; G73-K76 WeakPolarHBondContact O-CB 3.29Å; G73-K76 PolarHBondContact O-N 3.48Å; G73-K76 VanDerWaalsContact O-N 3.13Å; L74-K76 PolarHBondContact O-N 3.24Å; L74-K76 VanDerWaalsContact O-N 3.13Å; K76-W78 PolarHBondContact O-N 3.29Å; K76-W78 VanDerWaalsContact O-N 3.11Å; K76-Q79 VanDerWaalsContact O-CB 3.28Å; K76-Q79 WeakPolarHBondContact O-CB 3.3Å; K76-Q79 PolarHBondContact O-N 2.95Å |
| 77 | L | 88.7 | Confident | 88.9 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -61.2 | -21 | 172.8 | -64.2 | 173.9 | 0 | 0 | 0 | 112.3 | Y38 P39 I42 L43 V68 I69 L74 F75 | Y38-L77 WeakPolarHBondContact CD1-O 3.31Å; Y38-L77 WeakPolarHBondContact CE1-O 3.17Å; P39-L77 HydrophobicContact CB-CB 4.05Å; P39-L77 HydrophobicContact CB-CD1 4.11Å; P39-L77 HydrophobicContact CG-CB 4.22Å; I42-L77 HydrophobicContact CG2-CB 4.14Å; I42-L77 HydrophobicContact CG2-CD2 3.55Å; I42-L77 HydrophobicContact CG2-CG 4.46Å; I42-L77 WeakPolarHBondContact CG2-O 3.38Å; L43-L77 HydrophobicContact CD2-CD2 4.21Å; L43-L77 HydrophobicContact CG-CD2 4.32Å; V68-L77 HydrophobicContact CG1-CD2 3.84Å; I69-L77 HydrophobicContact CG1-CD1 4.38Å; L74-L77 HydrophobicContact CD1-CD1 3.86Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 WeakPolarHBondContact O-CG 3.31Å; L74-L77 PolarHBondContact O-N 2.7Å; L74-L77 VanDerWaalsContact O-N 3.09Å; F75-L77 PolarHBondContact O-N 3.18Å |
| 78 | W | 91.5 | Very high | 89.1 | Confident | 93 Ų | 93 | 53.4 Ų | 53.4 | 35% | 0.352 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -92.9 | 10.4 | 174 | -70.2 | -86.1 | 0 | 0 | 0 | 114.7 | T35 P39 L74 F75 K76 G80 L81 | T35-W78 PolarHBondContact O-NE1 3.13Å; P39-W78 HydrophobicContact CG-CH2 4.16Å; P39-W78 HydrophobicContact CG-CZ2 3.77Å; L74-W78 HydrophobicContact CG-CZ3 4.43Å; F75-W78 PolarHBondContact O-N 2.91Å; K76-W78 PolarHBondContact O-N 3.29Å; K76-W78 VanDerWaalsContact O-N 3.11Å; W78-G80 PolarHBondContact O-N 3.49Å; W78-L81 WeakPolarHBondContact O-CB 3.23Å; W78-L81 PolarHBondContact O-N 3.01Å; W78-L81 VanDerWaalsContact O-N 3.11Å |
| 79 | Q | 87.4 | Confident | 89.3 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 121.9 | 174.7 | -176.7 | 173.5 | 3.4 | 0 | 0 | 110.4 | Y38 I42 K76 E186 R187 | Y38-Q79 WeakPolarHBondContact CE1-O 3.29Å; Y38-Q79 PolarHBondContact OH-O 3.46Å; Y38-Q79 VanDerWaalsContact OH-O 3.09Å; I42-Q79 HydrophobicContact CD1-CB 4.38Å; K76-Q79 VanDerWaalsContact O-CB 3.28Å; K76-Q79 WeakPolarHBondContact O-CB 3.3Å; K76-Q79 PolarHBondContact O-N 2.95Å; Q79-E186 PolarHBondContact NE2-OE2 3.13Å; Q79-R187 VanDerWaalsContact OE1-CD 3.29Å |
| 80 | G | 87.5 | Confident | 89.4 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | 10.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y38 W78 S82 P83 A84 | Y38-G80 VanDerWaalsContact CZ-C 3.41Å; Y38-G80 VanDerWaalsContact OH-CA 3.26Å; Y38-G80 WeakPolarHBondContact OH-CA 3.39Å; Y38-G80 PolarHBondContact OH-O 2.65Å; W78-G80 PolarHBondContact O-N 3.49Å; G80-S82 VanDerWaalsContact C-N 3.27Å; G80-S82 PolarHBondContact O-N 2.89Å; G80-P83 WeakPolarHBondContact O-CD 3.25Å; G80-P83 WeakPolarHBondContact O-CG 3.45Å; G80-A84 PolarHBondContact O-N 3.27Å |
| 81 | L | 91.5 | Very high | 89.5 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 174.2 | -179 | 65 | 0 | 0 | 0 | 111.4 | T35 Y38 W78 A84 L85 | T35-L81 HydrophobicContact CG2-CD2 4.13Å; Y38-L81 HydrophobicContact CD2-CD1 3.74Å; Y38-L81 HydrophobicContact CE1-CB 4.45Å; Y38-L81 HydrophobicContact CE2-CD1 4.28Å; Y38-L81 HydrophobicContact CG-CD1 3.9Å; Y38-L81 PolarHBondContact OH-N 3.35Å; W78-L81 WeakPolarHBondContact O-CB 3.23Å; W78-L81 PolarHBondContact O-N 3.01Å; W78-L81 VanDerWaalsContact O-N 3.11Å; L81-A84 WeakPolarHBondContact O-CA 3.42Å; L81-A84 WeakPolarHBondContact O-CB 3.05Å; L81-A84 PolarHBondContact O-N 3.33Å; L81-L85 HydrophobicContact CD1-CD1 4.39Å; L81-L85 HydrophobicContact CD1-CD2 4.16Å; L81-L85 HydrophobicContact CD1-CG 4.06Å; L81-L85 HydrophobicContact CD2-CD1 4.36Å; L81-L85 HydrophobicContact CG-CD1 3.99Å; L81-L85 HydrophobicContact CG-CG 4.07Å; L81-L85 WeakPolarHBondContact O-CG 3.4Å; L81-L85 PolarHBondContact O-N 3.37Å |
| 82 | S | 91.6 | Very high | 89.7 | Confident | 72 Ų | 72 | 45.8 Ų | 45.8 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59 | -50.6 | -178.6 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | G80 A84 L85 F86 | G80-S82 VanDerWaalsContact C-N 3.27Å; G80-S82 PolarHBondContact O-N 2.89Å; S82-A84 PolarHBondContact O-N 2.91Å; S82-L85 PolarHBondContact O-N 3.45Å; S82-F86 WeakPolarHBondContact O-CB 3.46Å; S82-F86 PolarHBondContact O-N 2.96Å |
| 83 | P | 91.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.2 | -31.9 | 172.9 | 24.9 | -34.9 | 0 | 0 | 0 | 111.9 | G80 F86 R87 I176 I179 K180 L183 F215 | G80-P83 WeakPolarHBondContact O-CD 3.25Å; G80-P83 WeakPolarHBondContact O-CG 3.45Å; P83-F86 PolarHBondContact O-N 3.44Å; P83-R87 VanDerWaalsContact O-CB 3.27Å; P83-R87 WeakPolarHBondContact O-CB 2.9Å; P83-R87 PolarHBondContact O-N 2.83Å; P83-I176 HydrophobicContact CB-CG2 3.93Å; P83-I176 WeakPolarHBondContact O-CG2 3.28Å; P83-I179 HydrophobicContact CB-CG2 4.24Å; P83-I179 HydrophobicContact CG-CG2 4.43Å; P83-K180 HydrophobicContact CB-CB 4.15Å; P83-K180 HydrophobicContact CG-CB 4.08Å; P83-L183 HydrophobicContact CG-CD1 4Å; P83-F215 HydrophobicContact CB-CD2 3.9Å; P83-F215 HydrophobicContact CB-CE2 3.95Å; P83-F215 HydrophobicContact CG-CD2 4.42Å |
| 84 | A | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -39.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | E34 Y38 G80 L81 S82 R87 H88 K180 | E34-A84 HydrophobicContact CG-CB 4.1Å; Y38-A84 HydrophobicContact CD2-CB 4.17Å; Y38-A84 HydrophobicContact CE2-CB 3.48Å; Y38-A84 VanDerWaalsContact CE2-CB 3.48Å; G80-A84 PolarHBondContact O-N 3.27Å; L81-A84 WeakPolarHBondContact O-CA 3.42Å; L81-A84 WeakPolarHBondContact O-CB 3.05Å; L81-A84 PolarHBondContact O-N 3.33Å; S82-A84 PolarHBondContact O-N 2.91Å; A84-R87 WeakPolarHBondContact O-CB 3.26Å; A84-H88 PolarHBondContact O-CD2 3.29Å; A84-H88 VanDerWaalsContact O-CD2 3.27Å; A84-K180 HydrophobicContact CB-CD 3.8Å; A84-K180 HydrophobicContact CB-CG 4.44Å |
| 85 | L | 94.1 | Very high | 89.9 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.2 | -45.3 | 172.7 | -61.8 | -179.2 | 0 | 0 | 0 | 111.2 | F31 E34 L81 S82 R87 H88 | F31-L85 HydrophobicContact CB-CD2 3.82Å; F31-L85 HydrophobicContact CD1-CB 4.33Å; F31-L85 HydrophobicContact CD1-CD2 3.92Å; F31-L85 HydrophobicContact CD2-CB 4.43Å; F31-L85 HydrophobicContact CD2-CD1 4.44Å; F31-L85 HydrophobicContact CD2-CD2 4.23Å; F31-L85 HydrophobicContact CE1-CB 4.18Å; F31-L85 WeakPolarHBondContact CE1-O 3.14Å; F31-L85 HydrophobicContact CE2-CB 4.25Å; F31-L85 HydrophobicContact CG-CB 4.47Å; F31-L85 HydrophobicContact CG-CD2 3.73Å; F31-L85 HydrophobicContact CZ-CB 4.12Å; E34-L85 HydrophobicContact CB-CD2 4.22Å; E34-L85 HydrophobicContact CG-CD2 4.47Å; L81-L85 HydrophobicContact CD1-CD1 4.39Å; L81-L85 HydrophobicContact CD1-CD2 4.16Å; L81-L85 HydrophobicContact CD1-CG 4.06Å; L81-L85 HydrophobicContact CD2-CD1 4.36Å; L81-L85 HydrophobicContact CG-CD1 3.99Å; L81-L85 HydrophobicContact CG-CG 4.07Å; L81-L85 WeakPolarHBondContact O-CG 3.4Å; L81-L85 PolarHBondContact O-N 3.37Å; S82-L85 PolarHBondContact O-N 3.45Å; L85-R87 PolarHBondContact O-N 3.1Å; L85-H88 WeakPolarHBondContact O-CB 3.46Å; L85-H88 PolarHBondContact O-N 3.31Å |
| 86 | F | 92.8 | Very high | 89.7 | Confident | 88 Ų | 88 | 40.7 Ų | 40.7 | 39% | 0.386 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61 | -35.2 | 177.7 | -168.6 | -107.8 | 0 | 0 | 0 | 112.3 | S82 P83 H88 I89 I90 I176 | S82-F86 WeakPolarHBondContact O-CB 3.46Å; S82-F86 PolarHBondContact O-N 2.96Å; P83-F86 PolarHBondContact O-N 3.44Å; F86-H88 VanDerWaalsContact C-N 3.27Å; F86-H88 PolarHBondContact O-N 3.1Å; F86-I89 HydrophobicContact CD2-CD1 4.23Å; F86-I89 WeakPolarHBondContact O-CB 3.39Å; F86-I89 PolarHBondContact O-N 2.99Å; F86-I89 VanDerWaalsContact O-N 3.13Å; F86-I90 HydrophobicContact CD1-CG1 4.16Å; F86-I90 HydrophobicContact CE1-CD1 4.05Å; F86-I90 HydrophobicContact CE1-CG1 3.81Å; F86-I90 HydrophobicContact CZ-CD1 4.03Å; F86-I90 HydrophobicContact CZ-CG1 4.24Å; F86-I90 PolarHBondContact O-N 3.17Å; F86-I176 HydrophobicContact CB-CG2 4.49Å; F86-I176 HydrophobicContact CD1-CD1 3.58Å; F86-I176 HydrophobicContact CD1-CG1 3.82Å; F86-I176 HydrophobicContact CD1-CG2 4.16Å; F86-I176 HydrophobicContact CE1-CD1 3.72Å; F86-I176 HydrophobicContact CE1-CG1 4.11Å |
| 87 | R | 92 | Very high | 89.6 | Confident | 32 Ų | 32 | 41 Ų | 41 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57 | -40 | 173.5 | -174.5 | -165.5 | 65.2 | 75.4 | -0.5 | 111.7 | E34 P83 A84 L85 I89 I90 Y91 A173 I176 D177 | E34-R87 IonicContact OE2-NH2 2.77Å; P83-R87 VanDerWaalsContact O-CB 3.27Å; P83-R87 WeakPolarHBondContact O-CB 2.9Å; P83-R87 PolarHBondContact O-N 2.83Å; A84-R87 WeakPolarHBondContact O-CB 3.26Å; L85-R87 PolarHBondContact O-N 3.1Å; R87-I89 VanDerWaalsContact C-N 3.29Å; R87-I89 PolarHBondContact O-N 3.14Å; R87-I90 PolarHBondContact O-N 3.17Å; R87-Y91 WeakPolarHBondContact O-CB 3.24Å; R87-Y91 PolarHBondContact O-N 3.44Å; R87-A173 HydrophobicContact CG-CB 4.18Å; R87-I176 HydrophobicContact CB-CB 4.45Å; R87-I176 HydrophobicContact CB-CG2 3.79Å; R87-D177 WeakPolarHBondContact CD-OD1 3.42Å; R87-D177 IonicContact NE-OD1 3.93Å |
| 88 | H | 91.5 | Very high | 89.5 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -34.2 | 179 | -76.9 | -66.3 | 0 | 0 | 0 | 112.1 | A30 F31 E34 A84 L85 F86 T92 | A30-H88 HydrophobicContact CB-CB 4.37Å; F31-H88 HydrophobicContact CD1-CB 4.13Å; F31-H88 HydrophobicContact CE1-CB 3.8Å; E34-H88 IonicContact OE2-CD2 3.95Å; E34-H88 IonicContact OE2-CE1 3.7Å; E34-H88 IonicContact OE2-NE2 2.74Å; E34-H88 PolarHBondContact OE2-NE2 3.08Å; A84-H88 PolarHBondContact O-CD2 3.29Å; A84-H88 VanDerWaalsContact O-CD2 3.27Å; L85-H88 WeakPolarHBondContact O-CB 3.46Å; L85-H88 PolarHBondContact O-N 3.31Å; F86-H88 VanDerWaalsContact C-N 3.27Å; F86-H88 PolarHBondContact O-N 3.1Å; H88-T92 WeakPolarHBondContact O-CB 3.41Å; H88-T92 PolarHBondContact O-N 3.01Å; H88-T92 PolarHBondContact O-OG1 3.05Å |
| 89 | I | 91.6 | Very high | 89.1 | Confident | 68 Ų | 68 | 40.1 Ų | 40.1 | 35% | 0.349 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.2 | -53 | 174 | -56.7 | 177.9 | 0 | 0 | 0 | 110.1 | F23 F31 F86 R87 G93 | F23-I89 HydrophobicContact CZ-CG2 4.23Å; F31-I89 HydrophobicContact CE1-CG1 4.09Å; F31-I89 HydrophobicContact CZ-CD1 3.91Å; F31-I89 HydrophobicContact CZ-CG1 3.68Å; F86-I89 HydrophobicContact CD2-CD1 4.23Å; F86-I89 WeakPolarHBondContact O-CB 3.39Å; F86-I89 PolarHBondContact O-N 2.99Å; F86-I89 VanDerWaalsContact O-N 3.13Å; R87-I89 VanDerWaalsContact C-N 3.29Å; R87-I89 PolarHBondContact O-N 3.14Å; I89-G93 WeakPolarHBondContact O-CA 3.33Å; I89-G93 PolarHBondContact O-N 3.43Å |
| 90 | I | 91.6 | Very high | 88.8 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 30% | 0.297 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -47.1 | -177.8 | -58.6 | -58.4 | 0 | 0 | 0 | 111.1 | F86 R87 G93 A94 A173 | F86-I90 HydrophobicContact CD1-CG1 4.16Å; F86-I90 HydrophobicContact CE1-CD1 4.05Å; F86-I90 HydrophobicContact CE1-CG1 3.81Å; F86-I90 HydrophobicContact CZ-CD1 4.03Å; F86-I90 HydrophobicContact CZ-CG1 4.24Å; F86-I90 PolarHBondContact O-N 3.17Å; R87-I90 PolarHBondContact O-N 3.17Å; I90-G93 PolarHBondContact O-N 2.93Å; I90-A94 VanDerWaalsContact O-CB 3.3Å; I90-A94 WeakPolarHBondContact O-CB 3.09Å; I90-A94 PolarHBondContact O-N 2.96Å; I90-A173 HydrophobicContact CG2-CB 4.27Å |
| 91 | Y | 90.3 | Very high | 88.6 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 13% | 0.125 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -51.1 | -178.1 | 179.1 | -98.5 | 0 | 0 | 0 | 111.6 | R87 G93 A94 R95 A169 Q170 | R87-Y91 WeakPolarHBondContact O-CB 3.24Å; R87-Y91 PolarHBondContact O-N 3.44Å; Y91-G93 VanDerWaalsContact C-N 3.32Å; Y91-G93 PolarHBondContact O-N 2.92Å; Y91-A94 PolarHBondContact O-N 3.27Å; Y91-R95 WeakPolarHBondContact O-CB 3.4Å; Y91-R95 PolarHBondContact O-N 3.28Å; Y91-R95 PolarHBondContact OH-NH1 2.89Å; Y91-A169 HydrophobicContact CD2-CB 3.84Å; Y91-A169 HydrophobicContact CE2-CB 3.88Å; Y91-Q170 VanDerWaalsContact CD2-OE1 3.31Å; Y91-Q170 HydrophobicContact CE2-CB 4.31Å |
| 92 | T | 87.2 | Confident | 88.2 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 10% | 0.104 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.5 | -37 | -179.5 | -50.7 | 0 | 0 | 0 | 0 | 110.6 | F23 C26 H88 A94 R95 M96 | F23-T92 HydrophobicContact CD2-CG2 3.75Å; F23-T92 HydrophobicContact CE2-CG2 3.91Å; C26-T92 HydrophobicContact CB-CG2 4.43Å; H88-T92 WeakPolarHBondContact O-CB 3.41Å; H88-T92 PolarHBondContact O-N 3.01Å; H88-T92 PolarHBondContact O-OG1 3.05Å; T92-A94 VanDerWaalsContact C-N 3.32Å; T92-A94 PolarHBondContact O-N 2.81Å; T92-R95 PolarHBondContact O-N 3.21Å; T92-M96 HydrophobicContact CG2-CE 4.44Å; T92-M96 HydrophobicContact CG2-CG 4.13Å; T92-M96 WeakPolarHBondContact O-CG 3.46Å; T92-M96 PolarHBondContact O-N 3.28Å; T92-M96 VanDerWaalsContact O-N 3.09Å |
| 93 | G | 87.5 | Confident | 87.6 | Confident | 32 Ų | 32 | 41.4 Ų | 41.4 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.2 | -29.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I89 I90 Y91 P97 | I89-G93 WeakPolarHBondContact O-CA 3.33Å; I89-G93 PolarHBondContact O-N 3.43Å; I90-G93 PolarHBondContact O-N 2.93Å; Y91-G93 VanDerWaalsContact C-N 3.32Å; Y91-G93 PolarHBondContact O-N 2.92Å; G93-P97 WeakPolarHBondContact O-CD 3.48Å; G93-P97 VanDerWaalsContact O-CG 3.24Å; G93-P97 WeakPolarHBondContact O-CG 3.28Å |
| 94 | A | 88.7 | Confident | 87 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 12% | 0.116 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -83.7 | -44.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I90 Y91 T92 M96 P97 I98 A169 L172 | I90-A94 VanDerWaalsContact O-CB 3.3Å; I90-A94 WeakPolarHBondContact O-CB 3.09Å; I90-A94 PolarHBondContact O-N 2.96Å; Y91-A94 PolarHBondContact O-N 3.27Å; T92-A94 VanDerWaalsContact C-N 3.32Å; T92-A94 PolarHBondContact O-N 2.81Å; A94-M96 PolarHBondContact O-N 2.71Å; A94-P97 WeakPolarHBondContact O-CD 3.47Å; A94-I98 HydrophobicContact CB-CD1 4.16Å; A94-I98 WeakPolarHBondContact O-CB 2.92Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 WeakPolarHBondContact O-CG1 3.37Å; A94-I98 PolarHBondContact O-N 2.96Å; A94-A169 HydrophobicContact CB-CB 3.86Å; A94-L172 HydrophobicContact CB-CD1 3.87Å |
| 95 | R | 85.4 | Confident | 86.2 | Confident | 80 Ų | 80 | 50.5 Ų | 50.5 | 30% | 0.302 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | -174 | 179.6 | 178.8 | 172.3 | 139.3 | 0.7 | 112.4 | Y91 T92 Y99 A169 | Y91-R95 WeakPolarHBondContact O-CB 3.4Å; Y91-R95 PolarHBondContact O-N 3.28Å; Y91-R95 PolarHBondContact OH-NH1 2.89Å; T92-R95 PolarHBondContact O-N 3.21Å; R95-Y99 WeakPolarHBondContact O-CB 3.41Å; R95-Y99 PolarHBondContact O-N 3.29Å; R95-A169 HydrophobicContact CB-CB 3.84Å |
| 96 | M | 83.6 | Confident | 85.3 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -52.6 | -174.9 | -71.7 | -71.7 | -173.4 | 0 | 0 | 112.4 | T92 A94 Y99 E100 | T92-M96 HydrophobicContact CG2-CE 4.44Å; T92-M96 HydrophobicContact CG2-CG 4.13Å; T92-M96 WeakPolarHBondContact O-CG 3.46Å; T92-M96 PolarHBondContact O-N 3.28Å; T92-M96 VanDerWaalsContact O-N 3.09Å; A94-M96 PolarHBondContact O-N 2.71Å; M96-Y99 PolarHBondContact O-N 2.77Å; M96-E100 PolarHBondContact O-N 3.26Å; M96-E100 VanDerWaalsContact O-N 3.14Å |
| 97 | P | 83.6 | Confident | 84.5 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 176.4 | -23.7 | 35.1 | 0 | 0 | 0 | 113.3 | G93 A94 Y99 E100 I101 | G93-P97 WeakPolarHBondContact O-CD 3.48Å; G93-P97 VanDerWaalsContact O-CG 3.24Å; G93-P97 WeakPolarHBondContact O-CG 3.28Å; A94-P97 WeakPolarHBondContact O-CD 3.47Å; P97-Y99 VanDerWaalsContact C-N 3.32Å; P97-Y99 PolarHBondContact O-N 3.43Å; P97-E100 PolarHBondContact O-N 2.79Å; P97-I101 VanDerWaalsContact O-CG1 3.3Å; P97-I101 WeakPolarHBondContact O-CG1 3.48Å; P97-I101 PolarHBondContact O-N 2.78Å |
| 98 | I | 86.5 | Confident | 83.6 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 17% | 0.169 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | -178.3 | -64.4 | 167.8 | 0 | 0 | 0 | 110.7 | A94 E100 I101 I102 A165 F168 | A94-I98 HydrophobicContact CB-CD1 4.16Å; A94-I98 WeakPolarHBondContact O-CB 2.92Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 WeakPolarHBondContact O-CG1 3.37Å; A94-I98 PolarHBondContact O-N 2.96Å; I98-E100 VanDerWaalsContact C-N 3.33Å; I98-E100 PolarHBondContact O-N 3.15Å; I98-I101 PolarHBondContact O-N 2.97Å; I98-I102 HydrophobicContact CG2-CD1 3.61Å; I98-I102 HydrophobicContact CG2-CG1 4.22Å; I98-I102 WeakPolarHBondContact O-CB 3.44Å; I98-I102 VanDerWaalsContact O-CG1 3.29Å; I98-I102 WeakPolarHBondContact O-CG1 3.06Å; I98-I102 PolarHBondContact O-N 3.39Å; I98-A165 HydrophobicContact CB-CB 4.19Å; I98-A165 HydrophobicContact CG2-CB 3.71Å; I98-F168 HydrophobicContact CD1-CB 4.36Å; I98-F168 HydrophobicContact CD1-CD1 3.28Å; I98-F168 HydrophobicContact CD1-CE1 3.85Å; I98-F168 HydrophobicContact CD1-CG 4.16Å |
| 99 | Y | 83.8 | Confident | 82.5 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 19% | 0.192 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 175.2 | -178.5 | -97.6 | 0 | 0 | 0 | 110.9 | R95 M96 P97 R103 A112 T161 A165 | R95-Y99 WeakPolarHBondContact O-CB 3.41Å; R95-Y99 PolarHBondContact O-N 3.29Å; M96-Y99 PolarHBondContact O-N 2.77Å; P97-Y99 VanDerWaalsContact C-N 3.32Å; P97-Y99 PolarHBondContact O-N 3.43Å; Y99-R103 VanDerWaalsContact CZ-CD 3.44Å; Y99-R103 WeakPolarHBondContact O-CB 3.41Å; Y99-R103 PolarHBondContact O-N 3.07Å; Y99-R103 WeakPolarHBondContact OH-CD 3.42Å; Y99-R103 PolarHBondContact OH-NE 3.39Å; Y99-A112 HydrophobicContact CE1-CB 4.45Å; Y99-T161 HydrophobicContact CD2-CG2 3.68Å; Y99-T161 HydrophobicContact CE2-CG2 3.82Å; Y99-T161 HydrophobicContact CG-CG2 4.4Å; Y99-A165 HydrophobicContact CD2-CB 4.48Å |
| 100 | E | 81.2 | Confident | 81.2 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 180 | -160.8 | 63.4 | -151.3 | 0 | 0 | 112 | M96 P97 I98 R103 Q104 | M96-E100 PolarHBondContact O-N 3.26Å; M96-E100 VanDerWaalsContact O-N 3.14Å; P97-E100 PolarHBondContact O-N 2.79Å; I98-E100 VanDerWaalsContact C-N 3.33Å; I98-E100 PolarHBondContact O-N 3.15Å; E100-R103 PolarHBondContact O-N 3.25Å; E100-Q104 HydrophobicContact CG-CG 4.24Å; E100-Q104 WeakPolarHBondContact O-CB 3.05Å; E100-Q104 VanDerWaalsContact O-CG 3.32Å; E100-Q104 WeakPolarHBondContact O-CG 3.45Å; E100-Q104 PolarHBondContact O-N 2.74Å; E100-Q104 PolarHBondContact OE1-NE2 3.03Å |
| 101 | I | 82.9 | Confident | 79.6 | Confident | 92 Ų | 92 | 58 Ų | 58 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.7 | -54.3 | 176.7 | -71 | 167 | 0 | 0 | 0 | 110.8 | P97 I98 R103 Q104 D105 | P97-I101 VanDerWaalsContact O-CG1 3.3Å; P97-I101 WeakPolarHBondContact O-CG1 3.48Å; P97-I101 PolarHBondContact O-N 2.78Å; I98-I101 PolarHBondContact O-N 2.97Å; I101-R103 PolarHBondContact O-N 3.08Å; I101-Q104 PolarHBondContact O-N 3.24Å; I101-D105 VanDerWaalsContact O-CB 3.22Å; I101-D105 WeakPolarHBondContact O-CB 3.45Å; I101-D105 PolarHBondContact O-N 2.88Å |
| 102 | I | 83 | Confident | 78 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -61.3 | -40.1 | -179.9 | -65.5 | 171.9 | 0 | 0 | 0 | 110.1 | I98 I106 F107 T161 I164 A165 | I98-I102 HydrophobicContact CG2-CD1 3.61Å; I98-I102 HydrophobicContact CG2-CG1 4.22Å; I98-I102 WeakPolarHBondContact O-CB 3.44Å; I98-I102 VanDerWaalsContact O-CG1 3.29Å; I98-I102 WeakPolarHBondContact O-CG1 3.06Å; I98-I102 PolarHBondContact O-N 3.39Å; I102-I106 HydrophobicContact CB-CD1 4.4Å; I102-I106 HydrophobicContact CG1-CD1 4.25Å; I102-I106 HydrophobicContact CG2-CB 4.45Å; I102-I106 HydrophobicContact CG2-CD1 4.1Å; I102-I106 VanDerWaalsContact O-CB 3.28Å; I102-I106 WeakPolarHBondContact O-CB 3.44Å; I102-I106 PolarHBondContact O-N 3.4Å; I102-I106 VanDerWaalsContact O-N 3.14Å; I102-F107 HydrophobicContact CG2-CD2 4.02Å; I102-F107 HydrophobicContact CG2-CE2 3.85Å; I102-F107 PolarHBondContact O-N 2.71Å; I102-T161 HydrophobicContact CB-CG2 3.62Å; I102-T161 HydrophobicContact CG2-CG2 3.34Å; I102-I164 HydrophobicContact CD1-CB 4.28Å; I102-I164 HydrophobicContact CD1-CG2 3.73Å; I102-A165 HydrophobicContact CD1-CB 4.34Å |
| 103 | R | 79.1 | Confident | 76.2 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 2% | 0.023 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -69 | -40.9 | -176.4 | -172.1 | 160.6 | 178 | -79.3 | -4.9 | 112.6 | Y99 E100 I101 H108 L109 P110 P111 T161 | Y99-R103 VanDerWaalsContact CZ-CD 3.44Å; Y99-R103 WeakPolarHBondContact O-CB 3.41Å; Y99-R103 PolarHBondContact O-N 3.07Å; Y99-R103 WeakPolarHBondContact OH-CD 3.42Å; Y99-R103 PolarHBondContact OH-NE 3.39Å; E100-R103 PolarHBondContact O-N 3.25Å; I101-R103 PolarHBondContact O-N 3.08Å; R103-H108 PolarHBondContact O-N 2.76Å; R103-L109 HydrophobicContact CG-CB 3.48Å; R103-L109 VanDerWaalsContact CG-CB 3.48Å; R103-L109 HydrophobicContact CG-CD1 4.42Å; R103-L109 HydrophobicContact CG-CD2 4.01Å; R103-L109 HydrophobicContact CG-CG 4.19Å; R103-L109 PolarHBondContact O-N 3.36Å; R103-P110 PolarHBondContact NH1-O 3.44Å; R103-P110 PolarHBondContact NH2-O 3Å; R103-P111 VanDerWaalsContact NH1-CA 3.32Å; R103-T161 HydrophobicContact CB-CG2 4.07Å |
| 104 | Q | 78.9 | Confident | 73.9 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -81.7 | -48.4 | 179.6 | -68.2 | -176.5 | -7.7 | 0 | 0 | 112.4 | E100 I101 H108 | E100-Q104 HydrophobicContact CG-CG 4.24Å; E100-Q104 WeakPolarHBondContact O-CB 3.05Å; E100-Q104 VanDerWaalsContact O-CG 3.32Å; E100-Q104 WeakPolarHBondContact O-CG 3.45Å; E100-Q104 PolarHBondContact O-N 2.74Å; E100-Q104 PolarHBondContact OE1-NE2 3.03Å; I101-Q104 PolarHBondContact O-N 3.24Å; Q104-H108 VanDerWaalsContact O-CA 3.23Å; Q104-H108 WeakPolarHBondContact O-CA 3.35Å; Q104-H108 PolarHBondContact O-N 3.48Å; Q104-H108 PolarHBondContact O-ND1 2.89Å; Q104-H108 VanDerWaalsContact O-ND1 3.08Å |
| 105 | D | 75.8 | Confident | 71.4 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 57% | 0.567 | 37% | 0.366 | S | S | * | . | I | π-helix | trans | -82.8 | -37.8 | -169.1 | -64 | -15.1 | 0 | 0 | 0 | 112.3 | I101 H108 | I101-D105 VanDerWaalsContact O-CB 3.22Å; I101-D105 WeakPolarHBondContact O-CB 3.45Å; I101-D105 PolarHBondContact O-N 2.88Å; D105-H108 PolarHBondContact O-CE1 3.24Å |
| 106 | I | 75.2 | Confident | 69.1 | Low | 111 Ų | 111 | 72.7 Ų | 72.7 | 57% | 0.569 | 38% | 0.384 | S | S | * | . | I | π-helix | trans | -92.1 | -41.6 | -174.8 | -62.5 | 175.8 | 0 | 0 | 0 | 111.3 | I102 | I102-I106 HydrophobicContact CB-CD1 4.4Å; I102-I106 HydrophobicContact CG1-CD1 4.25Å; I102-I106 HydrophobicContact CG2-CB 4.45Å; I102-I106 HydrophobicContact CG2-CD1 4.1Å; I102-I106 VanDerWaalsContact O-CB 3.28Å; I102-I106 WeakPolarHBondContact O-CB 3.44Å; I102-I106 PolarHBondContact O-N 3.4Å; I102-I106 VanDerWaalsContact O-N 3.14Å |
| 107 | F | 75.7 | Confident | 66.6 | Low | 62 Ų | 62 | 74.2 Ų | 74.2 | 27% | 0.272 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -4.3 | -173.9 | -63.9 | -75.1 | 0 | 0 | 0 | 114.1 | I102 L109 Q157 T161 | I102-F107 HydrophobicContact CG2-CD2 4.02Å; I102-F107 HydrophobicContact CG2-CE2 3.85Å; I102-F107 PolarHBondContact O-N 2.71Å; F107-L109 HydrophobicContact CB-CD1 3.02Å; F107-L109 HydrophobicContact CB-CG 4.48Å; F107-L109 HydrophobicContact CG-CD1 4.04Å; F107-L109 WeakPolarHBondContact O-CD1 3.39Å; F107-L109 PolarHBondContact O-N 2.96Å; F107-L109 VanDerWaalsContact O-N 3.17Å; F107-Q157 HydrophobicContact CD1-CB 4Å; F107-Q157 HydrophobicContact CD1-CG 3.82Å; F107-Q157 HydrophobicContact CE1-CB 4.17Å; F107-Q157 HydrophobicContact CE1-CG 3.88Å; F107-Q157 HydrophobicContact CG-CB 4.35Å; F107-T161 WeakPolarHBondContact CD2-OG1 3.3Å; F107-T161 WeakPolarHBondContact CE2-OG1 3.06Å |
| 108 | H | 73.1 | Confident | 64 | Low | 155 Ų | 155 | 79.9 Ų | 79.9 | 72% | 0.718 | 42% | 0.416 | S | S | * | . | trans | 53.4 | 33.7 | -179.7 | -53.1 | -46.8 | 0 | 0 | 0 | 114.1 | R103 Q104 D105 | R103-H108 PolarHBondContact O-N 2.76Å; Q104-H108 VanDerWaalsContact O-CA 3.23Å; Q104-H108 WeakPolarHBondContact O-CA 3.35Å; Q104-H108 PolarHBondContact O-N 3.48Å; Q104-H108 PolarHBondContact O-ND1 2.89Å; Q104-H108 VanDerWaalsContact O-ND1 3.08Å; D105-H108 PolarHBondContact O-CE1 3.24Å | ||
| 109 | L | 68.6 | Low | 61.2 | Low | 9 Ų | 9 | 82.3 Ų | 82.3 | 5% | 0.047 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 138 | 176.9 | -82.1 | 81 | 0 | 0 | 0 | 110.1 | R103 F107 F154 A158 | R103-L109 HydrophobicContact CG-CB 3.48Å; R103-L109 VanDerWaalsContact CG-CB 3.48Å; R103-L109 HydrophobicContact CG-CD1 4.42Å; R103-L109 HydrophobicContact CG-CD2 4.01Å; R103-L109 HydrophobicContact CG-CG 4.19Å; R103-L109 PolarHBondContact O-N 3.36Å; F107-L109 HydrophobicContact CB-CD1 3.02Å; F107-L109 HydrophobicContact CB-CG 4.48Å; F107-L109 HydrophobicContact CG-CD1 4.04Å; F107-L109 WeakPolarHBondContact O-CD1 3.39Å; F107-L109 PolarHBondContact O-N 2.96Å; F107-L109 VanDerWaalsContact O-N 3.17Å; L109-F154 HydrophobicContact CB-CD2 4.5Å; L109-F154 HydrophobicContact CB-CE2 3.84Å; L109-F154 HydrophobicContact CD2-CD2 3.44Å; L109-F154 VanDerWaalsContact CD2-CD2 3.44Å; L109-F154 HydrophobicContact CD2-CE1 4.27Å; L109-F154 HydrophobicContact CD2-CE2 3.13Å; L109-F154 HydrophobicContact CD2-CG 4.14Å; L109-F154 HydrophobicContact CD2-CZ 3.58Å; L109-F154 HydrophobicContact CG-CD2 3.56Å; L109-F154 HydrophobicContact CG-CE2 3.31Å; L109-F154 HydrophobicContact CG-CZ 4.22Å; L109-A158 HydrophobicContact CD2-CB 3.98Å |
| 110 | P | 64 | Low | 58.5 | Low | 60 Ų | 60 | 85.5 Ų | 85.5 | 39% | 0.39 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 146.7 | 172.3 | 24.9 | -36.2 | 0 | 0 | 0 | 111.4 | R103 F115 F154 | R103-P110 PolarHBondContact NH1-O 3.44Å; R103-P110 PolarHBondContact NH2-O 3Å; P110-F115 HydrophobicContact CG-CE2 3.85Å; P110-F115 HydrophobicContact CG-CZ 4.43Å; P110-F154 HydrophobicContact CG-CE2 4.4Å |
| 111 | P | 58.6 | Low | 56 | Low | 48 Ų | 48 | 91.3 Ų | 91.3 | 31% | 0.312 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 147.4 | -171.2 | 21.3 | -33.2 | 0 | 0 | 0 | 113.1 | R103 S113 H114 | R103-P111 VanDerWaalsContact NH1-CA 3.32Å; P111-S113 PolarHBondContact O-N 3.47Å; P111-H114 HydrophobicContact CG-CB 4.4Å; P111-H114 WeakPolarHBondContact O-CB 3.34Å; P111-H114 PolarHBondContact O-N 3.39Å |
| 112 | A | 56 | Low | 53.4 | Low | 52 Ų | 52 | 94.3 Ų | 94.3 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -63.4 | -25.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y99 H114 | Y99-A112 HydrophobicContact CE1-CB 4.45Å; A112-H114 VanDerWaalsContact C-N 3.27Å; A112-H114 PolarHBondContact O-N 2.98Å |
| 113 | S | 49.6 | Very low | 50.8 | Low | 64 Ų | 64 | 98.5 Ų | 98.5 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -66.6 | -20.9 | 174.2 | 49 | 0 | 0 | 0 | 0 | 114.9 | P111 F115 T116 | P111-S113 PolarHBondContact O-N 3.47Å; S113-F115 PolarHBondContact O-N 3.47Å; S113-T116 PolarHBondContact O-OG1 2.9Å |
| 114 | H | 38 | Very low | 48.6 | Very low | 147 Ų | 147 | 108.6 Ų | 108.6 | 68% | 0.681 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -75.8 | -7.2 | -175 | -142.1 | -87.2 | 0 | 0 | 0 | 113.3 | P111 A112 | P111-H114 HydrophobicContact CG-CB 4.4Å; P111-H114 WeakPolarHBondContact O-CB 3.34Å; P111-H114 PolarHBondContact O-N 3.39Å; A112-H114 VanDerWaalsContact C-N 3.27Å; A112-H114 PolarHBondContact O-N 2.98Å |
| 115 | F | 36.8 | Very low | 46.3 | Very low | 112 Ų | 112 | 109.6 Ų | 109.6 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -101.1 | 9.8 | -177.7 | -83.2 | -79.7 | 0 | 0 | 0 | 115.3 | P110 S113 V117 F154 | P110-F115 HydrophobicContact CG-CE2 3.85Å; P110-F115 HydrophobicContact CG-CZ 4.43Å; S113-F115 PolarHBondContact O-N 3.47Å; F115-V117 VanDerWaalsContact C-N 3.28Å; F115-V117 PolarHBondContact O-N 3.13Å; F115-F154 HydrophobicContact CD2-CZ 4.1Å; F115-F154 AromaticContact CE2-CE1 3.92Å; F115-F154 HydrophobicContact CE2-CE1 3.92Å; F115-F154 AromaticContact CE2-CE2 3.93Å; F115-F154 HydrophobicContact CE2-CE2 3.93Å; F115-F154 AromaticContact CE2-CZ 3.27Å; F115-F154 HydrophobicContact CE2-CZ 3.27Å; F115-F154 AromaticContact CZ-CE1 3.97Å; F115-F154 HydrophobicContact CZ-CE1 3.97Å; F115-F154 HydrophobicContact CZ-CE2 4.15Å; F115-F154 AromaticContact CZ-CZ 3.64Å; F115-F154 HydrophobicContact CZ-CZ 3.64Å |
| 116 | T | 36.2 | Very low | 44.1 | Very low | 110 Ų | 110 | 111.8 Ų | 111.8 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -61 | 103.5 | 154.2 | 45.4 | 0 | 0 | 0 | 0 | 106.2 | S113 K118 | S113-T116 PolarHBondContact O-OG1 2.9Å; T116-K118 VanDerWaalsContact C-N 3.31Å; T116-K118 PolarHBondContact O-N 3.05Å |
| 117 | V | 32.5 | Very low | 42.1 | Very low | 123 Ų | 123 | 116.3 Ų | 116.3 | 75% | 0.745 | 62% | 0.621 | S | S | * | * | trans | -56.1 | 95.5 | -177.7 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | F115 S119 | F115-V117 VanDerWaalsContact C-N 3.28Å; F115-V117 PolarHBondContact O-N 3.13Å; V117-S119 PolarHBondContact O-N 3.26Å | ||
| 118 | K | 27.5 | Very low | 40.1 | Very low | 186 Ų | 186 | 118.9 Ų | 118.9 | 81% | 0.809 | 65% | 0.647 | S | S | * | * | trans | -62.5 | 105.3 | 145.3 | -78.6 | -171.9 | 177.8 | -178 | 0 | 103.5 | T116 T120 | T116-K118 VanDerWaalsContact C-N 3.31Å; T116-K118 PolarHBondContact O-N 3.05Å; K118-T120 PolarHBondContact O-N 3.34Å | ||
| 119 | S | 29.2 | Very low | 38.5 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 59% | 0.587 | 65% | 0.651 | S | S | * | * | trans | -58.1 | 86.9 | 168.4 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | V117 K121 | V117-S119 PolarHBondContact O-N 3.26Å; S119-K121 PolarHBondContact O-N 2.95Å | ||
| 120 | T | 26.6 | Very low | 37.3 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | trans | -77.5 | 59.5 | 167.4 | -51.3 | 0 | 0 | 0 | 0 | 107.5 | K118 N122 | K118-T120 PolarHBondContact O-N 3.34Å; T120-N122 VanDerWaalsContact C-N 3.29Å; T120-N122 PolarHBondContact O-N 2.85Å | ||
| 121 | K | 29 | Very low | 36.6 | Very low | 171 Ų | 171 | 127 Ų | 127 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -78.7 | 91.6 | 149.2 | -76.9 | -177.3 | 176.5 | -177.9 | 0 | 104.2 | S119 | S119-K121 PolarHBondContact O-N 2.95Š| ||
| 122 | N | 28.3 | Very low | 36 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 153.7 | 69.4 | 160.2 | -78 | -6.7 | 0 | 0 | 0 | 109.9 | T120 | T120-N122 VanDerWaalsContact C-N 3.29Å; T120-N122 PolarHBondContact O-N 2.85Å |
| 123 | S | 28.3 | Very low | 36.1 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -167 | 35 | 153 | -136.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 124 | F | 32.9 | Very low | 36.2 | Very low | 218 Ų | 218 | 140.3 Ų | 140.3 | 96% | 0.956 | 74% | 0.737 | S | S | * | * | trans | -130.8 | 52.9 | 167.4 | -115.9 | -89 | 0 | 0 | 0 | 109.9 | ||||
| 125 | S | 30.4 | Very low | 37 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -137.2 | 68.9 | 165 | 179.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 126 | D | 30.4 | Very low | 38 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | -176.7 | 105.4 | 153 | -97.6 | -24 | 0 | 0 | 0 | 110 | ||||
| 127 | K | 33.3 | Very low | 39.3 | Very low | 206 Ų | 206 | 136.4 Ų | 136.4 | 90% | 0.896 | 72% | 0.718 | S | S | * | * | trans | 157.1 | 96.5 | 137.1 | -83.6 | 168 | -173.9 | -175 | 0 | 109.5 | H129 | K127-H129 PolarHBondContact O-N 3.46Š| ||
| 128 | S | 32.9 | Very low | 41 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | trans | -63.4 | 106.7 | 171.1 | 49.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 129 | H | 38.7 | Very low | 42.7 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | -116.4 | 124.3 | 147.2 | -100.3 | -83.9 | 0 | 0 | 0 | 107.1 | K127 I131 | K127-H129 PolarHBondContact O-N 3.46Å; H129-I131 VanDerWaalsContact C-N 3.33Å; H129-I131 PolarHBondContact O-N 2.88Å | ||
| 130 | V | 43.9 | Very low | 44.4 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | trans | -70.4 | 85.3 | -170.8 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 131 | I | 49.2 | Very low | 46.3 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 39% | 0.385 | 69% | 0.687 | S | S | . | * | trans | -83.1 | 132 | 167.2 | -58.6 | 172.4 | 0 | 0 | 0 | 107 | H129 K133 K135 L136 | H129-I131 VanDerWaalsContact C-N 3.33Å; H129-I131 PolarHBondContact O-N 2.88Å; I131-K133 PolarHBondContact O-N 3.26Å; I131-K135 HydrophobicContact CG2-CB 3.76Å; I131-L136 HydrophobicContact CG2-CB 4.5Å | ||
| 132 | P | 46.7 | Very low | 48.2 | Very low | 88 Ų | 88 | 128 Ų | 128 | 57% | 0.571 | 67% | 0.672 | S | S | * | * | trans | -51.3 | 130.7 | 176.7 | -27 | 34.1 | 0 | 0 | 0 | 111.4 | Q134 K135 L136 | P132-Q134 PolarHBondContact O-N 2.9Å; P132-K135 WeakPolarHBondContact O-CA 3.47Å; P132-K135 PolarHBondContact O-N 3.06Å; P132-L136 PolarHBondContact O-N 3.37Å | ||
| 133 | K | 57.7 | Low | 49.9 | Very low | 186 Ų | 186 | 123 Ų | 123 | 81% | 0.809 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -48.8 | -33.9 | -172.1 | -70.6 | -175.3 | 176.9 | -179.2 | 0 | 113.9 | I131 L136 S137 | I131-K133 PolarHBondContact O-N 3.26Å; K133-L136 PolarHBondContact O-N 2.77Å; K133-S137 WeakPolarHBondContact O-CB 3.16Å; K133-S137 PolarHBondContact O-N 2.72Å; K133-S137 PolarHBondContact O-OG 3.41Å |
| 134 | Q | 52.1 | Low | 51.6 | Low | 169 Ų | 169 | 122 Ų | 122 | 79% | 0.79 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.3 | -44.5 | 177.9 | -135.7 | 172.4 | 2.3 | 0 | 0 | 112.3 | P132 S137 A138 | P132-Q134 PolarHBondContact O-N 2.9Å; Q134-S137 PolarHBondContact O-N 3.34Å; Q134-S137 PolarHBondContact O-OG 2.88Å; Q134-A138 PolarHBondContact O-N 3.38Å |
| 135 | K | 53.6 | Low | 53.2 | Low | 149 Ų | 149 | 117.6 Ų | 117.6 | 65% | 0.648 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.7 | -38.1 | 172.6 | -89.4 | -174.1 | 176.7 | -178.5 | 0 | 111.9 | I131 P132 A138 M139 | I131-K135 HydrophobicContact CG2-CB 3.76Å; P132-K135 WeakPolarHBondContact O-CA 3.47Å; P132-K135 PolarHBondContact O-N 3.06Å; K135-A138 PolarHBondContact O-N 3.1Å; K135-M139 WeakPolarHBondContact O-CB 3.01Å; K135-M139 PolarHBondContact O-N 2.93Å |
| 136 | L | 57.9 | Low | 54.7 | Low | 87 Ų | 87 | 117.4 Ų | 117.4 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.1 | -46.3 | 175.8 | -172.7 | 67.3 | 0 | 0 | 0 | 110.8 | I131 P132 K133 A138 M139 E140 | I131-L136 HydrophobicContact CG2-CB 4.5Å; P132-L136 PolarHBondContact O-N 3.37Å; K133-L136 PolarHBondContact O-N 2.77Å; L136-A138 PolarHBondContact O-N 3.11Å; L136-M139 PolarHBondContact O-N 3.35Å; L136-E140 VanDerWaalsContact O-CB 3.26Å; L136-E140 WeakPolarHBondContact O-CB 3.39Å; L136-E140 PolarHBondContact O-N 2.83Å |
| 137 | S | 63.3 | Low | 56.5 | Low | 50 Ų | 50 | 114.5 Ų | 114.5 | 35% | 0.35 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.5 | -36.2 | 178.4 | 71.6 | 0 | 0 | 0 | 0 | 113.5 | K133 Q134 K141 | K133-S137 WeakPolarHBondContact O-CB 3.16Å; K133-S137 PolarHBondContact O-N 2.72Å; K133-S137 PolarHBondContact O-OG 3.41Å; Q134-S137 PolarHBondContact O-N 3.34Å; Q134-S137 PolarHBondContact O-OG 2.88Å; S137-K141 WeakPolarHBondContact O-CB 3.14Å; S137-K141 VanDerWaalsContact O-CG 3.26Å; S137-K141 WeakPolarHBondContact O-CG 3.22Å; S137-K141 PolarHBondContact O-N 2.82Å |
| 138 | A | 69 | Low | 57.9 | Low | 52 Ų | 52 | 110.7 Ų | 110.7 | 43% | 0.43 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.6 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q134 K135 L136 E140 K141 T142 | Q134-A138 PolarHBondContact O-N 3.38Å; K135-A138 PolarHBondContact O-N 3.1Å; L136-A138 PolarHBondContact O-N 3.11Å; A138-E140 PolarHBondContact O-N 3.2Å; A138-K141 PolarHBondContact O-N 3.48Å; A138-T142 WeakPolarHBondContact O-CB 3.47Å; A138-T142 PolarHBondContact O-N 2.96Å; A138-T142 PolarHBondContact O-OG1 3.04Å |
| 139 | M | 62.7 | Low | 59.5 | Low | 116 Ų | 116 | 110.5 Ų | 110.5 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.1 | -36.6 | 177.8 | -169.3 | 170.4 | 174.3 | 0 | 0 | 112.1 | K135 L136 S143 | K135-M139 WeakPolarHBondContact O-CB 3.01Å; K135-M139 PolarHBondContact O-N 2.93Å; L136-M139 PolarHBondContact O-N 3.35Å; M139-S143 WeakPolarHBondContact O-CB 3.27Å; M139-S143 PolarHBondContact O-N 3.11Å; M139-S143 PolarHBondContact O-OG 3.48Å |
| 140 | E | 66.7 | Low | 61.1 | Low | 127 Ų | 127 | 107.7 Ų | 107.7 | 59% | 0.593 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.2 | -41.4 | 174.9 | -170.3 | 172.9 | -174 | 0 | 0 | 111.5 | L136 A138 S143 T144 | L136-E140 VanDerWaalsContact O-CB 3.26Å; L136-E140 WeakPolarHBondContact O-CB 3.39Å; L136-E140 PolarHBondContact O-N 2.83Å; A138-E140 PolarHBondContact O-N 3.2Å; E140-S143 PolarHBondContact O-N 3.18Å; E140-T144 VanDerWaalsContact O-CB 3.29Å; E140-T144 WeakPolarHBondContact O-CB 3.46Å; E140-T144 PolarHBondContact O-N 3.07Å; E140-T144 PolarHBondContact O-OG1 3.42Å |
| 141 | K | 65.3 | Low | 62.4 | Low | 137 Ų | 137 | 106.7 Ų | 106.7 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.4 | -51.1 | 172 | -76.7 | 176.8 | -178.6 | -175.7 | 0 | 111.7 | S137 A138 S143 T144 E145 | S137-K141 WeakPolarHBondContact O-CB 3.14Å; S137-K141 VanDerWaalsContact O-CG 3.26Å; S137-K141 WeakPolarHBondContact O-CG 3.22Å; S137-K141 PolarHBondContact O-N 2.82Å; A138-K141 PolarHBondContact O-N 3.48Å; K141-S143 VanDerWaalsContact C-N 3.32Å; K141-S143 PolarHBondContact O-N 3Å; K141-T144 PolarHBondContact O-N 2.6Å; K141-E145 WeakPolarHBondContact O-CB 3.3Å; K141-E145 VanDerWaalsContact O-CG 3.25Å; K141-E145 WeakPolarHBondContact O-CG 3.5Å; K141-E145 PolarHBondContact O-N 2.9Å |
| 142 | T | 69.2 | Low | 63.4 | Low | 71 Ų | 71 | 106.1 Ų | 106.1 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 177.7 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | A138 E145 L146 | A138-T142 WeakPolarHBondContact O-CB 3.47Å; A138-T142 PolarHBondContact O-N 2.96Å; A138-T142 PolarHBondContact O-OG1 3.04Å; T142-E145 PolarHBondContact O-N 3.27Å; T142-L146 HydrophobicContact CG2-CD1 3.99Å; T142-L146 HydrophobicContact CG2-CG 4.33Å; T142-L146 WeakPolarHBondContact O-CB 3.41Å; T142-L146 VanDerWaalsContact O-CG 3.23Å; T142-L146 WeakPolarHBondContact O-CG 3.07Å; T142-L146 PolarHBondContact O-N 2.89Å |
| 143 | S | 64 | Low | 64.9 | Low | 51 Ų | 51 | 105.4 Ų | 105.4 | 36% | 0.357 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 176 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | M139 E140 K141 L146 I147 | M139-S143 WeakPolarHBondContact O-CB 3.27Å; M139-S143 PolarHBondContact O-N 3.11Å; M139-S143 PolarHBondContact O-OG 3.48Å; E140-S143 PolarHBondContact O-N 3.18Å; K141-S143 VanDerWaalsContact C-N 3.32Å; K141-S143 PolarHBondContact O-N 3Å; S143-L146 PolarHBondContact O-N 2.88Å; S143-I147 VanDerWaalsContact O-CB 3.31Å; S143-I147 WeakPolarHBondContact O-CB 3.42Å; S143-I147 WeakPolarHBondContact O-CD1 3.44Å; S143-I147 WeakPolarHBondContact O-CG1 3.49Å; S143-I147 PolarHBondContact O-N 3.38Å |
| 144 | T | 63.9 | Low | 65.8 | Low | 85 Ų | 85 | 98.6 Ų | 98.6 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 178 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | E140 K141 I147 Q148 | E140-T144 VanDerWaalsContact O-CB 3.29Å; E140-T144 WeakPolarHBondContact O-CB 3.46Å; E140-T144 PolarHBondContact O-N 3.07Å; E140-T144 PolarHBondContact O-OG1 3.42Å; K141-T144 PolarHBondContact O-N 2.6Å; T144-I147 PolarHBondContact O-N 3.31Å; T144-Q148 WeakPolarHBondContact O-CB 3.37Å; T144-Q148 PolarHBondContact O-N 3.06Å |
| 145 | E | 66.4 | Low | 66.9 | Low | 125 Ų | 125 | 94.3 Ų | 94.3 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -48.6 | 175 | -74 | 168.5 | -178.2 | 0 | 0 | 111.3 | K141 T142 I147 Q148 E149 | K141-E145 WeakPolarHBondContact O-CB 3.3Å; K141-E145 VanDerWaalsContact O-CG 3.25Å; K141-E145 WeakPolarHBondContact O-CG 3.5Å; K141-E145 PolarHBondContact O-N 2.9Å; T142-E145 PolarHBondContact O-N 3.27Å; E145-I147 PolarHBondContact O-N 3.45Å; E145-Q148 PolarHBondContact O-N 3.39Å; E145-E149 VanDerWaalsContact O-CB 3.29Å; E145-E149 WeakPolarHBondContact O-CB 3.45Å; E145-E149 PolarHBondContact O-N 2.9Å |
| 146 | L | 62.8 | Low | 68.1 | Low | 103 Ų | 103 | 91.2 Ų | 91.2 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 175.9 | -72.3 | 172.7 | 0 | 0 | 0 | 112.2 | T142 S143 N150 | T142-L146 HydrophobicContact CG2-CD1 3.99Å; T142-L146 HydrophobicContact CG2-CG 4.33Å; T142-L146 WeakPolarHBondContact O-CB 3.41Å; T142-L146 VanDerWaalsContact O-CG 3.23Å; T142-L146 WeakPolarHBondContact O-CG 3.07Å; T142-L146 PolarHBondContact O-N 2.89Å; S143-L146 PolarHBondContact O-N 2.88Å; L146-N150 WeakPolarHBondContact O-CB 3.27Å; L146-N150 PolarHBondContact O-N 3.39Å |
| 147 | I | 67.9 | Low | 69.3 | Low | 92 Ų | 92 | 90.6 Ų | 90.6 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 175.6 | -71 | 163.9 | 0 | 0 | 0 | 110.4 | S143 T144 E145 K151 | S143-I147 VanDerWaalsContact O-CB 3.31Å; S143-I147 WeakPolarHBondContact O-CB 3.42Å; S143-I147 WeakPolarHBondContact O-CD1 3.44Å; S143-I147 WeakPolarHBondContact O-CG1 3.49Å; S143-I147 PolarHBondContact O-N 3.38Å; T144-I147 PolarHBondContact O-N 3.31Å; E145-I147 PolarHBondContact O-N 3.45Å; I147-K151 HydrophobicContact CG2-CD 4.15Å; I147-K151 WeakPolarHBondContact O-CB 3.5Å; I147-K151 VanDerWaalsContact O-CG 3.22Å; I147-K151 WeakPolarHBondContact O-CG 3.45Å; I147-K151 PolarHBondContact O-N 3.44Å |
| 148 | Q | 61.9 | Low | 70 | Confident | 125 Ų | 125 | 89 Ų | 89 | 58% | 0.584 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70.4 | -40.9 | 179.9 | -173.2 | 69.7 | -13.5 | 0 | 0 | 111.9 | T144 E145 K151 S152 | T144-Q148 WeakPolarHBondContact O-CB 3.37Å; T144-Q148 PolarHBondContact O-N 3.06Å; E145-Q148 PolarHBondContact O-N 3.39Å; Q148-K151 PolarHBondContact O-N 2.92Å; Q148-S152 WeakPolarHBondContact O-CB 3.37Å; Q148-S152 PolarHBondContact O-N 3.4Å |
| 149 | E | 65.9 | Low | 70.6 | Confident | 113 Ų | 113 | 87.8 Ų | 87.8 | 53% | 0.528 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 174.8 | -170.7 | -177.3 | 176 | 0 | 0 | 110.6 | E145 K151 S152 N153 | E145-E149 VanDerWaalsContact O-CB 3.29Å; E145-E149 WeakPolarHBondContact O-CB 3.45Å; E145-E149 PolarHBondContact O-N 2.9Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 3.47Å; E149-S152 PolarHBondContact O-N 3.46Å; E149-S152 VanDerWaalsContact O-N 3.15Å; E149-N153 WeakPolarHBondContact O-CB 3.45Å; E149-N153 VanDerWaalsContact O-CG 3.31Å; E149-N153 PolarHBondContact O-N 2.69Å; E149-N153 PolarHBondContact O-ND2 2.98Å |
| 150 | N | 72.4 | Confident | 71.6 | Confident | 116 Ų | 116 | 87.8 Ų | 87.8 | 62% | 0.62 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.6 | -39.9 | 176.4 | -163.9 | 21.9 | 0 | 0 | 0 | 111.6 | L146 F154 | L146-N150 WeakPolarHBondContact O-CB 3.27Å; L146-N150 PolarHBondContact O-N 3.39Å; N150-F154 WeakPolarHBondContact O-CB 3.44Å; N150-F154 PolarHBondContact O-N 3.39Å |
| 151 | K | 71.5 | Confident | 72.5 | Confident | 123 Ų | 123 | 81.8 Ų | 81.8 | 54% | 0.535 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 172.2 | -79.4 | 174.6 | -178.6 | 178 | 0 | 112.2 | I147 Q148 E149 F154 V155 | I147-K151 HydrophobicContact CG2-CD 4.15Å; I147-K151 WeakPolarHBondContact O-CB 3.5Å; I147-K151 VanDerWaalsContact O-CG 3.22Å; I147-K151 WeakPolarHBondContact O-CG 3.45Å; I147-K151 PolarHBondContact O-N 3.44Å; Q148-K151 PolarHBondContact O-N 2.92Å; E149-K151 VanDerWaalsContact C-N 3.33Å; E149-K151 PolarHBondContact O-N 3.47Å; K151-F154 WeakPolarHBondContact O-CB 3.33Å; K151-F154 PolarHBondContact O-N 3.08Å; K151-V155 VanDerWaalsContact O-CG2 3.27Å; K151-V155 WeakPolarHBondContact O-CG2 3.23Å; K151-V155 PolarHBondContact O-N 2.84Å |
| 152 | S | 71.4 | Confident | 73.4 | Confident | 64 Ų | 64 | 75.7 Ų | 75.7 | 45% | 0.448 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | Q148 E149 F154 V155 I156 | Q148-S152 WeakPolarHBondContact O-CB 3.37Å; Q148-S152 PolarHBondContact O-N 3.4Å; E149-S152 PolarHBondContact O-N 3.46Å; E149-S152 VanDerWaalsContact O-N 3.15Å; S152-F154 VanDerWaalsContact C-N 3.3Å; S152-F154 PolarHBondContact O-N 2.92Å; S152-V155 PolarHBondContact O-N 3.49Å; S152-I156 WeakPolarHBondContact O-CG1 3.4Å; S152-I156 PolarHBondContact O-N 2.89Å |
| 153 | N | 76.6 | Confident | 74.3 | Confident | 72 Ų | 72 | 73.2 Ų | 73.2 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 176.7 | -70.6 | -17.5 | 0 | 0 | 0 | 111.1 | E149 V155 I156 Q157 | E149-N153 WeakPolarHBondContact O-CB 3.45Å; E149-N153 VanDerWaalsContact O-CG 3.31Å; E149-N153 PolarHBondContact O-N 2.69Å; E149-N153 PolarHBondContact O-ND2 2.98Å; N153-V155 PolarHBondContact O-N 2.92Å; N153-I156 PolarHBondContact O-N 3.47Å; N153-Q157 WeakPolarHBondContact O-CB 2.94Å; N153-Q157 VanDerWaalsContact O-CG 3.3Å; N153-Q157 WeakPolarHBondContact O-CG 3.34Å; N153-Q157 PolarHBondContact O-N 3.39Å |
| 154 | F | 77 | Confident | 75.4 | Confident | 43 Ų | 43 | 75.1 Ų | 75.1 | 19% | 0.189 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 175 | 174.1 | -86.9 | 0 | 0 | 0 | 112.6 | L109 P110 F115 N150 K151 S152 I156 Q157 A158 | L109-F154 HydrophobicContact CB-CD2 4.5Å; L109-F154 HydrophobicContact CB-CE2 3.84Å; L109-F154 HydrophobicContact CD2-CD2 3.44Å; L109-F154 VanDerWaalsContact CD2-CD2 3.44Å; L109-F154 HydrophobicContact CD2-CE1 4.27Å; L109-F154 HydrophobicContact CD2-CE2 3.13Å; L109-F154 HydrophobicContact CD2-CG 4.14Å; L109-F154 HydrophobicContact CD2-CZ 3.58Å; L109-F154 HydrophobicContact CG-CD2 3.56Å; L109-F154 HydrophobicContact CG-CE2 3.31Å; L109-F154 HydrophobicContact CG-CZ 4.22Å; P110-F154 HydrophobicContact CG-CE2 4.4Å; F115-F154 HydrophobicContact CD2-CZ 4.1Å; F115-F154 AromaticContact CE2-CE1 3.92Å; F115-F154 HydrophobicContact CE2-CE1 3.92Å; F115-F154 AromaticContact CE2-CE2 3.93Å; F115-F154 HydrophobicContact CE2-CE2 3.93Å; F115-F154 AromaticContact CE2-CZ 3.27Å; F115-F154 HydrophobicContact CE2-CZ 3.27Å; F115-F154 AromaticContact CZ-CE1 3.97Å; F115-F154 HydrophobicContact CZ-CE1 3.97Å; F115-F154 HydrophobicContact CZ-CE2 4.15Å; F115-F154 AromaticContact CZ-CZ 3.64Å; F115-F154 HydrophobicContact CZ-CZ 3.64Å; N150-F154 WeakPolarHBondContact O-CB 3.44Å; N150-F154 PolarHBondContact O-N 3.39Å; K151-F154 WeakPolarHBondContact O-CB 3.33Å; K151-F154 PolarHBondContact O-N 3.08Å; S152-F154 VanDerWaalsContact C-N 3.3Å; S152-F154 PolarHBondContact O-N 2.92Å; F154-I156 VanDerWaalsContact C-N 3.34Å; F154-I156 PolarHBondContact O-N 3.35Å; F154-Q157 PolarHBondContact O-N 3.46Å; F154-A158 VanDerWaalsContact O-CB 3.31Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 3.43Å |
| 155 | V | 75.6 | Confident | 76.6 | Confident | 80 Ų | 80 | 71 Ų | 71 | 49% | 0.485 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 178.8 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | K151 S152 N153 A158 A159 | K151-V155 VanDerWaalsContact O-CG2 3.27Å; K151-V155 WeakPolarHBondContact O-CG2 3.23Å; K151-V155 PolarHBondContact O-N 2.84Å; S152-V155 PolarHBondContact O-N 3.49Å; N153-V155 PolarHBondContact O-N 2.92Å; V155-A158 PolarHBondContact O-N 3.49Å; V155-A159 WeakPolarHBondContact O-CB 3.03Å; V155-A159 PolarHBondContact O-N 2.69Å |
| 156 | I | 78.6 | Confident | 77.7 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 43% | 0.426 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 178.3 | -66.6 | 168.2 | 0 | 0 | 0 | 110.9 | S152 N153 F154 A158 A159 F160 | S152-I156 WeakPolarHBondContact O-CG1 3.4Å; S152-I156 PolarHBondContact O-N 2.89Å; N153-I156 PolarHBondContact O-N 3.47Å; F154-I156 VanDerWaalsContact C-N 3.34Å; F154-I156 PolarHBondContact O-N 3.35Å; I156-A158 PolarHBondContact O-N 2.92Å; I156-A159 WeakPolarHBondContact O-CB 3.1Å; I156-A159 PolarHBondContact O-N 3.42Å; I156-F160 HydrophobicContact CG2-CD2 3.65Å; I156-F160 HydrophobicContact CG2-CE2 3.52Å; I156-F160 VanDerWaalsContact O-CD2 3.25Å; I156-F160 WeakPolarHBondContact O-CD2 3.29Å; I156-F160 PolarHBondContact O-N 2.63Å |
| 157 | Q | 82.4 | Confident | 79 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.8 | -73.3 | 176.9 | -6.2 | 0 | 0 | 112.1 | F107 N153 F154 A159 F160 T161 | F107-Q157 HydrophobicContact CD1-CB 4Å; F107-Q157 HydrophobicContact CD1-CG 3.82Å; F107-Q157 HydrophobicContact CE1-CB 4.17Å; F107-Q157 HydrophobicContact CE1-CG 3.88Å; F107-Q157 HydrophobicContact CG-CB 4.35Å; N153-Q157 WeakPolarHBondContact O-CB 2.94Å; N153-Q157 VanDerWaalsContact O-CG 3.3Å; N153-Q157 WeakPolarHBondContact O-CG 3.34Å; N153-Q157 PolarHBondContact O-N 3.39Å; F154-Q157 PolarHBondContact O-N 3.46Å; Q157-A159 VanDerWaalsContact C-N 3.31Å; Q157-A159 PolarHBondContact O-N 3.01Å; Q157-F160 PolarHBondContact O-N 2.94Å; Q157-T161 WeakPolarHBondContact O-CB 3.35Å; Q157-T161 PolarHBondContact O-N 2.93Å; Q157-T161 PolarHBondContact O-OG1 2.7Å |
| 158 | A | 79 | Confident | 80.1 | Confident | 16 Ų | 16 | 62 Ų | 62 | 13% | 0.132 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L109 F154 V155 I156 G162 | L109-A158 HydrophobicContact CD2-CB 3.98Å; F154-A158 VanDerWaalsContact O-CB 3.31Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 3.43Å; V155-A158 PolarHBondContact O-N 3.49Å; I156-A158 PolarHBondContact O-N 2.92Å; A158-G162 PolarHBondContact O-N 2.85Å |
| 159 | A | 80.7 | Confident | 81.5 | Confident | 27 Ų | 27 | 56 Ų | 56 | 22% | 0.223 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -51.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V155 I156 Q157 T161 G162 V163 L250 | V155-A159 WeakPolarHBondContact O-CB 3.03Å; V155-A159 PolarHBondContact O-N 2.69Å; I156-A159 WeakPolarHBondContact O-CB 3.1Å; I156-A159 PolarHBondContact O-N 3.42Å; Q157-A159 VanDerWaalsContact C-N 3.31Å; Q157-A159 PolarHBondContact O-N 3.01Å; A159-T161 VanDerWaalsContact C-N 3.33Å; A159-T161 PolarHBondContact O-N 3.49Å; A159-G162 WeakPolarHBondContact O-CA 3.47Å; A159-G162 PolarHBondContact O-N 2.94Å; A159-G162 VanDerWaalsContact O-N 3.09Å; A159-V163 WeakPolarHBondContact O-CG2 3.36Å; A159-V163 PolarHBondContact O-N 2.69Å; A159-L250 HydrophobicContact CB-CD1 3.86Å |
| 160 | F | 84.1 | Confident | 82.8 | Confident | 117 Ų | 117 | 51 Ų | 51 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 176.5 | -83.3 | -69.1 | 0 | 0 | 0 | 112.2 | I156 Q157 G162 V163 I164 | I156-F160 HydrophobicContact CG2-CD2 3.65Å; I156-F160 HydrophobicContact CG2-CE2 3.52Å; I156-F160 VanDerWaalsContact O-CD2 3.25Å; I156-F160 WeakPolarHBondContact O-CD2 3.29Å; I156-F160 PolarHBondContact O-N 2.63Å; Q157-F160 PolarHBondContact O-N 2.94Å; F160-G162 VanDerWaalsContact C-N 3.28Å; F160-G162 PolarHBondContact O-N 3.07Å; F160-V163 PolarHBondContact O-N 3.48Å; F160-V163 VanDerWaalsContact O-N 3.15Å; F160-I164 WeakPolarHBondContact O-CG1 3.29Å; F160-I164 PolarHBondContact O-N 2.88Å |
| 161 | T | 85.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.1 | -45.3 | 173.2 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | Y99 I102 R103 F107 Q157 A159 V163 I164 A165 | Y99-T161 HydrophobicContact CD2-CG2 3.68Å; Y99-T161 HydrophobicContact CE2-CG2 3.82Å; Y99-T161 HydrophobicContact CG-CG2 4.4Å; I102-T161 HydrophobicContact CB-CG2 3.62Å; I102-T161 HydrophobicContact CG2-CG2 3.34Å; R103-T161 HydrophobicContact CB-CG2 4.07Å; F107-T161 WeakPolarHBondContact CD2-OG1 3.3Å; F107-T161 WeakPolarHBondContact CE2-OG1 3.06Å; Q157-T161 WeakPolarHBondContact O-CB 3.35Å; Q157-T161 PolarHBondContact O-N 2.93Å; Q157-T161 PolarHBondContact O-OG1 2.7Å; A159-T161 VanDerWaalsContact C-N 3.33Å; A159-T161 PolarHBondContact O-N 3.49Å; T161-V163 PolarHBondContact O-N 2.85Å; T161-I164 PolarHBondContact O-N 3.46Å; T161-A165 VanDerWaalsContact O-CB 3.22Å; T161-A165 WeakPolarHBondContact O-CB 3.32Å; T161-A165 PolarHBondContact O-N 2.8Å |
| 162 | G | 84.7 | Confident | 84.7 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A158 A159 F160 G166 | A158-G162 PolarHBondContact O-N 2.85Å; A159-G162 WeakPolarHBondContact O-CA 3.47Å; A159-G162 PolarHBondContact O-N 2.94Å; A159-G162 VanDerWaalsContact O-N 3.09Å; F160-G162 VanDerWaalsContact C-N 3.28Å; F160-G162 PolarHBondContact O-N 3.07Å; G162-G166 PolarHBondContact O-N 2.74Å |
| 163 | V | 87.2 | Confident | 85.7 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.4 | -45.3 | 177.4 | 174 | 0 | 0 | 0 | 0 | 111.1 | A159 F160 T161 S167 A243 N246 L250 | A159-V163 WeakPolarHBondContact O-CG2 3.36Å; A159-V163 PolarHBondContact O-N 2.69Å; F160-V163 PolarHBondContact O-N 3.48Å; F160-V163 VanDerWaalsContact O-N 3.15Å; T161-V163 PolarHBondContact O-N 2.85Å; V163-S167 WeakPolarHBondContact O-CB 3.43Å; V163-S167 PolarHBondContact O-N 2.86Å; V163-S167 PolarHBondContact O-OG 3.38Å; V163-A243 HydrophobicContact CG1-CB 4.22Å; V163-N246 HydrophobicContact CG2-CB 4.1Å; V163-L250 HydrophobicContact CG2-CD1 4.35Å |
| 164 | I | 87.9 | Confident | 86.5 | Confident | 91 Ų | 91 | 41.1 Ų | 41.1 | 47% | 0.467 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66 | -50.7 | 179.6 | -65.3 | 168 | 0 | 0 | 0 | 110.3 | I102 F160 T161 G166 S167 F168 | I102-I164 HydrophobicContact CD1-CB 4.28Å; I102-I164 HydrophobicContact CD1-CG2 3.73Å; F160-I164 WeakPolarHBondContact O-CG1 3.29Å; F160-I164 PolarHBondContact O-N 2.88Å; T161-I164 PolarHBondContact O-N 3.46Å; I164-G166 VanDerWaalsContact C-N 3.33Å; I164-G166 PolarHBondContact O-N 3.45Å; I164-S167 WeakPolarHBondContact O-CB 3.48Å; I164-S167 PolarHBondContact O-N 3.14Å; I164-F168 PolarHBondContact O-N 3Å |
| 165 | A | 88.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I98 Y99 I102 T161 S167 F168 A169 | I98-A165 HydrophobicContact CB-CB 4.19Å; I98-A165 HydrophobicContact CG2-CB 3.71Å; Y99-A165 HydrophobicContact CD2-CB 4.48Å; I102-A165 HydrophobicContact CD1-CB 4.34Å; T161-A165 VanDerWaalsContact O-CB 3.22Å; T161-A165 WeakPolarHBondContact O-CB 3.32Å; T161-A165 PolarHBondContact O-N 2.8Å; A165-S167 VanDerWaalsContact C-N 3.35Å; A165-S167 PolarHBondContact O-N 3.5Å; A165-F168 PolarHBondContact O-N 3.4Å; A165-A169 VanDerWaalsContact O-CB 3.28Å; A165-A169 WeakPolarHBondContact O-CB 3.23Å; A165-A169 PolarHBondContact O-N 3.32Å |
| 166 | G | 89.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -37.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | G162 I164 Q170 | G162-G166 PolarHBondContact O-N 2.74Å; I164-G166 VanDerWaalsContact C-N 3.33Å; I164-G166 PolarHBondContact O-N 3.45Å; G166-Q170 VanDerWaalsContact O-CB 3.28Å; G166-Q170 WeakPolarHBondContact O-CB 3.15Å; G166-Q170 PolarHBondContact O-N 3.25Å |
| 167 | S | 90.7 | Very high | 88.8 | Confident | 19 Ų | 19 | 33.1 Ų | 33.1 | 13% | 0.133 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 176.9 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | V163 I164 A165 Q170 F171 | V163-S167 WeakPolarHBondContact O-CB 3.43Å; V163-S167 PolarHBondContact O-N 2.86Å; V163-S167 PolarHBondContact O-OG 3.38Å; I164-S167 WeakPolarHBondContact O-CB 3.48Å; I164-S167 PolarHBondContact O-N 3.14Å; A165-S167 VanDerWaalsContact C-N 3.35Å; A165-S167 PolarHBondContact O-N 3.5Å; S167-Q170 WeakPolarHBondContact O-CB 3.38Å; S167-Q170 PolarHBondContact O-N 3.19Å; S167-F171 PolarHBondContact O-N 3.46Å |
| 168 | F | 90.5 | Very high | 89.2 | Confident | 111 Ų | 111 | 29.6 Ų | 29.6 | 49% | 0.487 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.9 | -43.3 | 177.6 | -167.5 | -85.9 | 0 | 0 | 0 | 112.1 | I98 I164 A165 Q170 F171 L172 | I98-F168 HydrophobicContact CD1-CB 4.36Å; I98-F168 HydrophobicContact CD1-CD1 3.28Å; I98-F168 HydrophobicContact CD1-CE1 3.85Å; I98-F168 HydrophobicContact CD1-CG 4.16Å; I164-F168 PolarHBondContact O-N 3Å; A165-F168 PolarHBondContact O-N 3.4Å; F168-Q170 PolarHBondContact O-N 2.86Å; F168-F171 WeakPolarHBondContact O-CB 3Å; F168-F171 PolarHBondContact O-N 3.32Å; F168-F171 VanDerWaalsContact O-N 3.11Å; F168-L172 HydrophobicContact CD1-CD1 4.02Å; F168-L172 HydrophobicContact CD1-CG 4.23Å; F168-L172 HydrophobicContact CE1-CD1 3.74Å; F168-L172 HydrophobicContact CE1-CD2 4.47Å; F168-L172 HydrophobicContact CE1-CG 4.05Å; F168-L172 PolarHBondContact O-N 2.86Å; F168-L172 VanDerWaalsContact O-N 3.08Å |
| 169 | A | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59 | -37.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y91 A94 R95 A165 L172 A173 | Y91-A169 HydrophobicContact CD2-CB 3.84Å; Y91-A169 HydrophobicContact CE2-CB 3.88Å; A94-A169 HydrophobicContact CB-CB 3.86Å; R95-A169 HydrophobicContact CB-CB 3.84Å; A165-A169 VanDerWaalsContact O-CB 3.28Å; A165-A169 WeakPolarHBondContact O-CB 3.23Å; A165-A169 PolarHBondContact O-N 3.32Å; A169-L172 PolarHBondContact O-N 3.27Å; A169-A173 WeakPolarHBondContact O-CB 2.91Å; A169-A173 PolarHBondContact O-N 3.03Å |
| 170 | Q | 92.7 | Very high | 90.5 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 3% | 0.033 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.2 | -34.2 | 176.4 | -165.1 | 65.6 | 9.4 | 0 | 0 | 112.5 | Y91 G166 S167 F168 A173 S174 D177 N238 A242 | Y91-Q170 VanDerWaalsContact CD2-OE1 3.31Å; Y91-Q170 HydrophobicContact CE2-CB 4.31Å; G166-Q170 VanDerWaalsContact O-CB 3.28Å; G166-Q170 WeakPolarHBondContact O-CB 3.15Å; G166-Q170 PolarHBondContact O-N 3.25Å; S167-Q170 WeakPolarHBondContact O-CB 3.38Å; S167-Q170 PolarHBondContact O-N 3.19Å; F168-Q170 PolarHBondContact O-N 2.86Å; Q170-A173 PolarHBondContact O-N 3.33Å; Q170-S174 PolarHBondContact O-N 3.25Å; Q170-S174 PolarHBondContact O-OG 3.06Å; Q170-D177 PolarHBondContact NE2-OD2 2.79Å; Q170-N238 VanDerWaalsContact NE2-CG 3.26Å; Q170-N238 PolarHBondContact NE2-ND2 2.75Å; Q170-N238 PolarHBondContact NE2-OD1 3.33Å; Q170-A242 HydrophobicContact CB-CB 4.18Å; Q170-A242 HydrophobicContact CG-CB 3.95Å |
| 171 | F | 93 | Very high | 90.9 | Very high | 93 Ų | 93 | 23.3 Ų | 23.3 | 41% | 0.408 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -62 | -45.8 | 172.4 | -179.1 | -100.6 | 0 | 0 | 0 | 111.4 | S167 F168 A173 S174 W232 V239 | S167-F171 PolarHBondContact O-N 3.46Å; F168-F171 WeakPolarHBondContact O-CB 3Å; F168-F171 PolarHBondContact O-N 3.32Å; F168-F171 VanDerWaalsContact O-N 3.11Å; F171-A173 VanDerWaalsContact C-N 3.34Å; F171-A173 PolarHBondContact O-N 3.29Å; F171-S174 VanDerWaalsContact O-CB 3.27Å; F171-S174 WeakPolarHBondContact O-CB 3.21Å; F171-S174 PolarHBondContact O-N 3.06Å; F171-S174 PolarHBondContact O-OG 3.35Å; F171-W232 AromaticContact CE1-NE1 3.76Å; F171-W232 AromaticContact CE2-CD1 3.62Å; F171-W232 AromaticContact CZ-CD1 3.61Å; F171-W232 HydrophobicContact CZ-CG 4.46Å; F171-W232 AromaticContact CZ-NE1 3.77Å; F171-W232 PolarHBondContact O-NE1 2.95Å; F171-W232 VanDerWaalsContact O-NE1 3.14Å; F171-V239 HydrophobicContact CB-CG2 3.79Å; F171-V239 HydrophobicContact CD2-CG2 4.36Å |
| 172 | L | 91.9 | Very high | 91 | Very high | 73 Ų | 73 | 23.9 Ų | 23.9 | 38% | 0.382 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -65.3 | -35.7 | 175.6 | -67.2 | -179.2 | 0 | 0 | 0 | 112.9 | A94 F168 A169 S174 P175 | A94-L172 HydrophobicContact CB-CD1 3.87Å; F168-L172 HydrophobicContact CD1-CD1 4.02Å; F168-L172 HydrophobicContact CD1-CG 4.23Å; F168-L172 HydrophobicContact CE1-CD1 3.74Å; F168-L172 HydrophobicContact CE1-CD2 4.47Å; F168-L172 HydrophobicContact CE1-CG 4.05Å; F168-L172 PolarHBondContact O-N 2.86Å; F168-L172 VanDerWaalsContact O-N 3.08Å; A169-L172 PolarHBondContact O-N 3.27Å; L172-S174 VanDerWaalsContact C-N 3.29Å; L172-S174 PolarHBondContact O-N 3.32Å; L172-P175 WeakPolarHBondContact O-CD 2.97Å |
| 173 | A | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -79.6 | -7.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R87 I90 A169 Q170 F171 I176 D177 | R87-A173 HydrophobicContact CG-CB 4.18Å; I90-A173 HydrophobicContact CG2-CB 4.27Å; A169-A173 WeakPolarHBondContact O-CB 2.91Å; A169-A173 PolarHBondContact O-N 3.03Å; Q170-A173 PolarHBondContact O-N 3.33Å; F171-A173 VanDerWaalsContact C-N 3.34Å; F171-A173 PolarHBondContact O-N 3.29Å; A173-I176 PolarHBondContact O-N 2.95Å; A173-D177 PolarHBondContact O-N 3.13Å |
| 174 | S | 93 | Very high | 91.3 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | -173.8 | -72.2 | 0 | 0 | 0 | 0 | 114.9 | Q170 F171 L172 I176 D177 L178 N238 | Q170-S174 PolarHBondContact O-N 3.25Å; Q170-S174 PolarHBondContact O-OG 3.06Å; F171-S174 VanDerWaalsContact O-CB 3.27Å; F171-S174 WeakPolarHBondContact O-CB 3.21Å; F171-S174 PolarHBondContact O-N 3.06Å; F171-S174 PolarHBondContact O-OG 3.35Å; L172-S174 VanDerWaalsContact C-N 3.29Å; L172-S174 PolarHBondContact O-N 3.32Å; S174-I176 VanDerWaalsContact C-N 3.26Å; S174-I176 PolarHBondContact O-N 3.1Å; S174-D177 PolarHBondContact O-N 3.36Å; S174-L178 WeakPolarHBondContact O-CB 3.27Å; S174-L178 PolarHBondContact O-N 3.13Å; S174-N238 PolarHBondContact OG-ND2 2.99Å |
| 175 | P | 92.6 | Very high | 91.3 | Very high | 15 Ų | 15 | 18.7 Ų | 18.7 | 10% | 0.097 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54.2 | -41 | 171.1 | -31.9 | 39.6 | 0 | 0 | 0 | 114.1 | L172 L178 I179 L231 W232 | L172-P175 WeakPolarHBondContact O-CD 2.97Å; P175-L178 PolarHBondContact O-N 2.84Å; P175-I179 WeakPolarHBondContact O-CG1 3.26Å; P175-I179 PolarHBondContact O-N 3.4Å; P175-I179 VanDerWaalsContact O-N 3.1Å; P175-L231 VanDerWaalsContact CA-O 3.26Å; P175-L231 WeakPolarHBondContact CA-O 3.36Å; P175-L231 HydrophobicContact CB-CB 4Å; P175-L231 HydrophobicContact CG-CB 4.14Å; P175-W232 HydrophobicContact CG-CD2 3.78Å; P175-W232 HydrophobicContact CG-CE3 4.05Å; P175-W232 HydrophobicContact CG-CG 4.4Å; P175-W232 HydrophobicContact CG-CH2 3.93Å; P175-W232 HydrophobicContact CG-CZ2 3.64Å; P175-W232 HydrophobicContact CG-CZ3 4.12Å |
| 176 | I | 92.8 | Very high | 91 | Very high | 17 Ų | 17 | 19.4 Ų | 19.4 | 9% | 0.087 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -73.9 | -38.7 | -178.9 | -55.3 | -53.6 | 0 | 0 | 0 | 110.6 | P83 F86 R87 A173 S174 L178 I179 K180 F215 | P83-I176 HydrophobicContact CB-CG2 3.93Å; P83-I176 WeakPolarHBondContact O-CG2 3.28Å; F86-I176 HydrophobicContact CB-CG2 4.49Å; F86-I176 HydrophobicContact CD1-CD1 3.58Å; F86-I176 HydrophobicContact CD1-CG1 3.82Å; F86-I176 HydrophobicContact CD1-CG2 4.16Å; F86-I176 HydrophobicContact CE1-CD1 3.72Å; F86-I176 HydrophobicContact CE1-CG1 4.11Å; R87-I176 HydrophobicContact CB-CB 4.45Å; R87-I176 HydrophobicContact CB-CG2 3.79Å; A173-I176 PolarHBondContact O-N 2.95Å; S174-I176 VanDerWaalsContact C-N 3.26Å; S174-I176 PolarHBondContact O-N 3.1Å; I176-L178 VanDerWaalsContact C-N 3.3Å; I176-L178 PolarHBondContact O-N 3.42Å; I176-I179 PolarHBondContact O-N 3.12Å; I176-K180 WeakPolarHBondContact O-CB 3.26Å; I176-K180 PolarHBondContact O-N 2.89Å; I176-F215 HydrophobicContact CD1-CE2 4.12Å; I176-F215 HydrophobicContact CD1-CZ 3.89Å |
| 177 | D | 93.2 | Very high | 90.4 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 171.5 | -84.7 | -38.9 | 0 | 0 | 0 | 112.1 | R87 Q170 A173 S174 K180 V181 N238 K295 M299 | R87-D177 WeakPolarHBondContact CD-OD1 3.42Å; R87-D177 IonicContact NE-OD1 3.93Å; Q170-D177 PolarHBondContact NE2-OD2 2.79Å; A173-D177 PolarHBondContact O-N 3.13Å; S174-D177 PolarHBondContact O-N 3.36Å; D177-K180 WeakPolarHBondContact O-CB 3.45Å; D177-K180 PolarHBondContact O-N 3.21Å; D177-V181 WeakPolarHBondContact O-CG2 3.36Å; D177-V181 PolarHBondContact O-N 3.41Å; D177-N238 PolarHBondContact OD2-ND2 3.2Å; D177-K295 IonicContact OD2-NZ 3.65Å; D177-M299 HydrophobicContact CB-CE 3.64Å; D177-M299 HydrophobicContact CB-SD 4.35Å |
| 178 | L | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 178.6 | -176.9 | 53.7 | 0 | 0 | 0 | 111.2 | S174 P175 I176 V181 R182 L222 G230 L231 R233 M299 | S174-L178 WeakPolarHBondContact O-CB 3.27Å; S174-L178 PolarHBondContact O-N 3.13Å; P175-L178 PolarHBondContact O-N 2.84Å; I176-L178 VanDerWaalsContact C-N 3.3Å; I176-L178 PolarHBondContact O-N 3.42Å; L178-V181 PolarHBondContact O-N 3.15Å; L178-R182 HydrophobicContact CD1-CG 4.36Å; L178-R182 WeakPolarHBondContact O-CB 3.42Å; L178-R182 WeakPolarHBondContact O-CG 3.15Å; L178-R182 PolarHBondContact O-N 2.98Å; L178-L222 HydrophobicContact CB-CD2 4.38Å; L178-L222 HydrophobicContact CD2-CD1 3.99Å; L178-L222 HydrophobicContact CD2-CD2 3.46Å; L178-L222 VanDerWaalsContact CD2-CD2 3.46Å; L178-L222 HydrophobicContact CD2-CG 4.24Å; L178-L222 HydrophobicContact CG-CD2 3.58Å; L178-G230 VanDerWaalsContact CD2-O 3.22Å; L178-G230 WeakPolarHBondContact CD2-O 3.42Å; L178-L231 VanDerWaalsContact CD2-O 3.3Å; L178-L231 WeakPolarHBondContact CD2-O 3.42Å; L178-R233 HydrophobicContact CD2-CB 3.95Å; L178-M299 HydrophobicContact CB-CE 4.1Å; L178-M299 HydrophobicContact CD1-CB 3.61Å; L178-M299 HydrophobicContact CD1-CG 3.98Å; L178-M299 WeakPolarHBondContact CD1-O 3.32Å |
| 179 | I | 92.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 20.3 Ų | 20.3 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 174.1 | -65.8 | 164.4 | 0 | 0 | 0 | 111 | P83 P175 I176 R182 L183 F215 T218 A219 L222 | P83-I179 HydrophobicContact CB-CG2 4.24Å; P83-I179 HydrophobicContact CG-CG2 4.43Å; P175-I179 WeakPolarHBondContact O-CG1 3.26Å; P175-I179 PolarHBondContact O-N 3.4Å; P175-I179 VanDerWaalsContact O-N 3.1Å; I176-I179 PolarHBondContact O-N 3.12Å; I179-R182 PolarHBondContact O-N 3.39Å; I179-L183 HydrophobicContact CG2-CD1 3.87Å; I179-L183 WeakPolarHBondContact O-CB 3.44Å; I179-L183 WeakPolarHBondContact O-CG 3.48Å; I179-L183 PolarHBondContact O-N 2.97Å; I179-F215 HydrophobicContact CB-CE2 4.44Å; I179-F215 HydrophobicContact CD1-CE2 3.89Å; I179-F215 HydrophobicContact CD1-CZ 3.98Å; I179-F215 HydrophobicContact CG2-CD2 3.68Å; I179-F215 HydrophobicContact CG2-CE2 3.91Å; I179-T218 HydrophobicContact CG2-CG2 4.07Å; I179-A219 HydrophobicContact CD1-CB 3.88Å; I179-L222 HydrophobicContact CG1-CD2 4.39Å |
| 180 | K | 93.2 | Very high | 87.9 | Confident | 17 Ų | 17 | 23 Ų | 23 | 7% | 0.074 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57 | -55.5 | 175.4 | 175.6 | -178.1 | 173.8 | 172.1 | 0 | 110.5 | E34 D41 P83 A84 I176 D177 R182 L183 Q184 | E34-K180 IonicContact OE1-NZ 3.87Å; E34-K180 PolarHBondContact OE1-NZ 3.46Å; D41-K180 IonicContact OD2-NZ 2.85Å; D41-K180 PolarHBondContact OD2-NZ 3.39Å; P83-K180 HydrophobicContact CB-CB 4.15Å; P83-K180 HydrophobicContact CG-CB 4.08Å; A84-K180 HydrophobicContact CB-CD 3.8Å; A84-K180 HydrophobicContact CB-CG 4.44Å; I176-K180 WeakPolarHBondContact O-CB 3.26Å; I176-K180 PolarHBondContact O-N 2.89Å; D177-K180 WeakPolarHBondContact O-CB 3.45Å; D177-K180 PolarHBondContact O-N 3.21Å; K180-R182 VanDerWaalsContact C-N 3.35Å; K180-R182 PolarHBondContact O-N 3.45Å; K180-L183 PolarHBondContact O-N 2.95Å; K180-Q184 HydrophobicContact CG-CG 4.35Å; K180-Q184 WeakPolarHBondContact O-CB 3.27Å; K180-Q184 VanDerWaalsContact O-CG 3.29Å; K180-Q184 WeakPolarHBondContact O-CG 3.43Å; K180-Q184 PolarHBondContact O-N 2.78Å |
| 181 | V | 92.2 | Very high | 86.9 | Confident | 6 Ų | 6 | 22.8 Ų | 22.8 | 4% | 0.036 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | -177.8 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | D177 L178 L183 Q184 T185 T296 M299 N300 | D177-V181 WeakPolarHBondContact O-CG2 3.36Å; D177-V181 PolarHBondContact O-N 3.41Å; L178-V181 PolarHBondContact O-N 3.15Å; V181-L183 VanDerWaalsContact C-N 3.35Å; V181-L183 PolarHBondContact O-N 3.46Å; V181-Q184 PolarHBondContact O-N 2.93Å; V181-T185 HydrophobicContact CG1-CG2 4.12Å; V181-T185 WeakPolarHBondContact O-CB 3.44Å; V181-T185 WeakPolarHBondContact O-CG2 3.37Å; V181-T185 PolarHBondContact O-N 3.13Å; V181-T185 PolarHBondContact O-OG1 3.39Å; V181-T296 HydrophobicContact CG1-CG2 3.95Å; V181-M299 HydrophobicContact CB-CB 4.1Å; V181-M299 HydrophobicContact CG1-CB 3.95Å; V181-M299 HydrophobicContact CG2-CB 4.34Å; V181-M299 HydrophobicContact CG2-SD 4.05Å; V181-N300 HydrophobicContact CG1-CB 4.18Å |
| 182 | R | 88.5 | Confident | 86.2 | Confident | 11 Ų | 11 | 19.8 Ų | 19.8 | 4% | 0.042 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 177.9 | -75.8 | -91.3 | -174.5 | 132.8 | -6.5 | 112.9 | L178 I179 K180 T185 E186 T218 E225 Q301 | L178-R182 HydrophobicContact CD1-CG 4.36Å; L178-R182 WeakPolarHBondContact O-CB 3.42Å; L178-R182 WeakPolarHBondContact O-CG 3.15Å; L178-R182 PolarHBondContact O-N 2.98Å; I179-R182 PolarHBondContact O-N 3.39Å; K180-R182 VanDerWaalsContact C-N 3.35Å; K180-R182 PolarHBondContact O-N 3.45Å; R182-T185 PolarHBondContact O-OG1 3.07Å; R182-E186 WeakPolarHBondContact O-CB 3.46Å; R182-E186 PolarHBondContact O-N 2.93Å; R182-E186 VanDerWaalsContact O-N 3.12Å; R182-T218 HydrophobicContact CB-CG2 3.73Å; R182-E225 IonicContact CZ-OE2 3.8Å; R182-E225 VanDerWaalsContact CZ-OE2 3.23Å; R182-E225 IonicContact NH1-OE1 2.82Å; R182-E225 PolarHBondContact NH1-OE1 2.96Å; R182-E225 IonicContact NH1-OE2 3.36Å; R182-E225 PolarHBondContact NH1-OE2 2.89Å; R182-E225 IonicContact NH2-OE2 3.72Å; R182-E225 PolarHBondContact NH2-OE2 2.95Å; R182-Q301 PolarHBondContact NH2-O 3.42Å |
| 183 | L | 89.1 | Confident | 85.5 | Confident | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.2 | -38.7 | 176.2 | -79.3 | 168.5 | 0 | 0 | 0 | 111.9 | P83 I179 K180 V181 L213 T218 | P83-L183 HydrophobicContact CG-CD1 4Å; I179-L183 HydrophobicContact CG2-CD1 3.87Å; I179-L183 WeakPolarHBondContact O-CB 3.44Å; I179-L183 WeakPolarHBondContact O-CG 3.48Å; I179-L183 PolarHBondContact O-N 2.97Å; K180-L183 PolarHBondContact O-N 2.95Å; V181-L183 VanDerWaalsContact C-N 3.35Å; V181-L183 PolarHBondContact O-N 3.46Å; L183-L213 HydrophobicContact CD2-CB 3.71Å; L183-T218 VanDerWaalsContact CD2-OG1 3.27Å; L183-T218 WeakPolarHBondContact CD2-OG1 3.47Å; L183-T218 HydrophobicContact CG-CG2 4.28Å |
| 184 | Q | 89.9 | Confident | 84.7 | Confident | 3 Ų | 3 | 20.7 Ų | 20.7 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.2 | -36.6 | 178.2 | -76.1 | 179.8 | -33.7 | 0 | 0 | 112.2 | Y38 I42 R46 K180 V181 | Y38-Q184 WeakPolarHBondContact OH-CG 3.36Å; Y38-Q184 PolarHBondContact OH-NE2 3.07Å; I42-Q184 HydrophobicContact CG1-CB 4.24Å; I42-Q184 HydrophobicContact CG1-CG 4.27Å; R46-Q184 PolarHBondContact NH1-O 2.67Å; R46-Q184 PolarHBondContact NH2-O 3.38Å; R46-Q184 VanDerWaalsContact NH2-O 3.14Å; K180-Q184 HydrophobicContact CG-CG 4.35Å; K180-Q184 WeakPolarHBondContact O-CB 3.27Å; K180-Q184 VanDerWaalsContact O-CG 3.29Å; K180-Q184 WeakPolarHBondContact O-CG 3.43Å; K180-Q184 PolarHBondContact O-N 2.78Å; V181-Q184 PolarHBondContact O-N 2.93Å |
| 185 | T | 87.3 | Confident | 84.1 | Confident | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -90.3 | -9.3 | -178.3 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | R46 V49 V181 R182 R187 R188 N300 | R46-T185 PolarHBondContact NH1-O 3.25Å; V49-T185 HydrophobicContact CG2-CG2 3.96Å; V181-T185 HydrophobicContact CG1-CG2 4.12Å; V181-T185 WeakPolarHBondContact O-CB 3.44Å; V181-T185 WeakPolarHBondContact O-CG2 3.37Å; V181-T185 PolarHBondContact O-N 3.13Å; V181-T185 PolarHBondContact O-OG1 3.39Å; R182-T185 PolarHBondContact O-OG1 3.07Å; T185-R187 VanDerWaalsContact C-N 3.33Å; T185-R187 PolarHBondContact O-N 3.41Å; T185-R188 WeakPolarHBondContact O-CB 3.26Å; T185-R188 VanDerWaalsContact O-CG 3.3Å; T185-R188 WeakPolarHBondContact O-CG 3.37Å; T185-R188 PolarHBondContact O-N 3.38Å; T185-R188 VanDerWaalsContact O-N 3.1Å; T185-N300 WeakPolarHBondContact CB-OD1 3.38Å; T185-N300 HydrophobicContact CG2-CB 4.21Å; T185-N300 PolarHBondContact OG1-OD1 3.01Å |
| 186 | E | 82.8 | Confident | 83.4 | Confident | 15 Ų | 15 | 24.3 Ų | 24.3 | 7% | 0.07 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -45.9 | -170.6 | -165.6 | -152.1 | 155.2 | 0 | 0 | 113.1 | Q79 R182 R188 W189 L213 | Q79-E186 PolarHBondContact NE2-OE2 3.13Å; R182-E186 WeakPolarHBondContact O-CB 3.46Å; R182-E186 PolarHBondContact O-N 2.93Å; R182-E186 VanDerWaalsContact O-N 3.12Å; E186-R188 PolarHBondContact O-N 2.96Å; E186-W189 PolarHBondContact O-NE1 3.2Å; E186-L213 HydrophobicContact CG-CD2 3.91Å; E186-L213 WeakPolarHBondContact OE1-CD1 3.35Å; E186-L213 WeakPolarHBondContact OE1-CD2 3.32Å; E186-L213 WeakPolarHBondContact OE2-CB 3.28Å |
| 187 | R | 75.9 | Confident | 82.5 | Confident | 47 Ų | 47 | 30.6 Ų | 30.6 | 18% | 0.177 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 7.6 | -174.6 | -63.6 | -178.7 | 169.7 | -126.9 | -14.2 | 115 | R46 E72 Q79 T185 W189 M190 | R46-R187 VanDerWaalsContact NH1-N 3.17Å; E72-R187 HydrophobicContact CG-CB 4.47Å; Q79-R187 VanDerWaalsContact OE1-CD 3.29Å; T185-R187 VanDerWaalsContact C-N 3.33Å; T185-R187 PolarHBondContact O-N 3.41Å; R187-W189 PolarHBondContact O-N 3.13Å; R187-M190 HydrophobicContact CB-CE 3.45Å; R187-M190 VanDerWaalsContact CB-CE 3.45Å; R187-M190 HydrophobicContact CG-CE 3.46Å; R187-M190 VanDerWaalsContact CG-CE 3.46Å; R187-M190 WeakPolarHBondContact O-CB 3.2Å; R187-M190 PolarHBondContact O-N 3.15Å |
| 188 | R | 78.5 | Confident | 81.4 | Confident | 55 Ų | 55 | 37 Ų | 37 | 21% | 0.208 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.6 | -36.6 | -171.5 | 69.3 | 176.1 | 173.2 | 163.9 | -10 | 113 | V49 E52 T185 E186 M190 S191 E192 N300 | V49-R188 PolarHBondContact O-NH1 2.94Å; V49-R188 VanDerWaalsContact O-NH1 3.16Å; E52-R188 IonicContact OE2-CZ 3.06Å; E52-R188 IonicContact OE2-NH1 3.37Å; E52-R188 PolarHBondContact OE2-NH1 3.16Å; E52-R188 IonicContact OE2-NH2 2.76Å; E52-R188 PolarHBondContact OE2-NH2 3.16Å; T185-R188 WeakPolarHBondContact O-CB 3.26Å; T185-R188 VanDerWaalsContact O-CG 3.3Å; T185-R188 WeakPolarHBondContact O-CG 3.37Å; T185-R188 PolarHBondContact O-N 3.38Å; T185-R188 VanDerWaalsContact O-N 3.1Å; E186-R188 PolarHBondContact O-N 2.96Å; R188-M190 PolarHBondContact O-N 3.33Å; R188-S191 PolarHBondContact O-N 3.01Å; R188-S191 VanDerWaalsContact O-N 3.08Å; R188-E192 WeakPolarHBondContact O-CB 3.31Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 2.9Å; R188-N300 PolarHBondContact NH2-ND2 3.02Å |
| 189 | W | 68 | Low | 79.8 | Confident | 48 Ų | 48 | 46 Ų | 46 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -25.2 | -177.6 | 45.1 | -72.2 | 0 | 0 | 0 | 112.8 | E186 R187 G193 P200 K202 L206 | E186-W189 PolarHBondContact O-NE1 3.2Å; R187-W189 PolarHBondContact O-N 3.13Å; W189-G193 PolarHBondContact O-N 3.39Å; W189-P200 HydrophobicContact CE3-CB 4.24Å; W189-P200 WeakPolarHBondContact O-CB 3.14Å; W189-K202 HydrophobicContact CE3-CB 3.81Å; W189-K202 HydrophobicContact CE3-CG 4.18Å; W189-K202 HydrophobicContact CH2-CB 3.78Å; W189-K202 HydrophobicContact CH2-CD 3.73Å; W189-K202 HydrophobicContact CH2-CG 3.39Å; W189-K202 HydrophobicContact CZ2-CB 4.46Å; W189-K202 HydrophobicContact CZ2-CD 4.35Å; W189-K202 HydrophobicContact CZ2-CG 3.79Å; W189-K202 HydrophobicContact CZ3-CB 3.37Å; W189-K202 HydrophobicContact CZ3-CD 4.17Å; W189-K202 HydrophobicContact CZ3-CG 3.58Å; W189-L206 HydrophobicContact CZ2-CD1 4.22Å |
| 190 | M | 73.6 | Confident | 78.2 | Confident | 55 Ų | 55 | 49 Ų | 49 | 27% | 0.271 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -70.3 | -46.3 | 171.2 | -67.4 | -169 | -70.8 | 0 | 0 | 111.3 | R187 R188 H194 | R187-M190 HydrophobicContact CB-CE 3.45Å; R187-M190 VanDerWaalsContact CB-CE 3.45Å; R187-M190 HydrophobicContact CG-CE 3.46Å; R187-M190 VanDerWaalsContact CG-CE 3.46Å; R187-M190 WeakPolarHBondContact O-CB 3.2Å; R187-M190 PolarHBondContact O-N 3.15Å; R188-M190 PolarHBondContact O-N 3.33Å; M190-H194 PolarHBondContact O-N 3.37Å |
| 191 | S | 72.6 | Confident | 76.4 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.7 | -39 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 112.6 | S67 R188 L195 | S67-S191 WeakPolarHBondContact CB-OG 3.26Å; S67-S191 PolarHBondContact OG-O 2.8Å; S67-S191 PolarHBondContact OG-OG 2.94Å; R188-S191 PolarHBondContact O-N 3.01Å; R188-S191 VanDerWaalsContact O-N 3.08Å; S191-L195 WeakPolarHBondContact O-CB 3.29Å; S191-L195 PolarHBondContact O-N 2.78Å |
| 192 | E | 77.8 | Confident | 74.7 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.4 | -43.5 | 178.5 | -73.8 | 171 | 177 | 0 | 0 | 111.8 | Y50 R188 H194 L195 N196 | Y50-E192 WeakPolarHBondContact CA-OE1 3.36Å; Y50-E192 HydrophobicContact CD2-CG 3.65Å; Y50-E192 HydrophobicContact CE2-CB 4.45Å; Y50-E192 HydrophobicContact CE2-CG 3.7Å; R188-E192 WeakPolarHBondContact O-CB 3.31Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 2.9Å; E192-H194 VanDerWaalsContact C-N 3.34Å; E192-H194 PolarHBondContact O-N 3.47Å; E192-L195 PolarHBondContact O-N 3.1Å; E192-L195 VanDerWaalsContact O-N 3.16Å; E192-N196 WeakPolarHBondContact O-CB 3.38Å; E192-N196 PolarHBondContact O-N 3Å |
| 193 | G | 77.1 | Confident | 73.1 | Confident | 7 Ų | 7 | 57 Ų | 57 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W189 L195 N196 N197 H198 | W189-G193 PolarHBondContact O-N 3.39Å; G193-L195 VanDerWaalsContact C-N 3.34Å; G193-L195 PolarHBondContact O-N 2.99Å; G193-N196 PolarHBondContact O-N 3.46Å; G193-N197 PolarHBondContact O-N 3.43Å; G193-N197 VanDerWaalsContact O-N 3.09Å; G193-H198 CarbonylContact C-O 3.6Å; G193-H198 WeakPolarHBondContact CA-O 3.28Å; G193-H198 PolarHBondContact O-N 2.86Å |
| 194 | H | 76.2 | Confident | 71.2 | Confident | 86 Ų | 86 | 64 Ų | 64 | 40% | 0.398 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 175.3 | -178.1 | 78.6 | 0 | 0 | 0 | 112.7 | N71 M190 E192 N197 | N71-H194 VanDerWaalsContact ND2-CB 3.33Å; N71-H194 WeakPolarHBondContact ND2-CB 3.31Å; N71-H194 PolarHBondContact ND2-CD2 2.8Å; N71-H194 VanDerWaalsContact ND2-CD2 3.26Å; M190-H194 PolarHBondContact O-N 3.37Å; E192-H194 VanDerWaalsContact C-N 3.34Å; E192-H194 PolarHBondContact O-N 3.47Å; H194-N197 PolarHBondContact O-N 2.97Å |
| 195 | L | 80.4 | Confident | 69.4 | Low | 41 Ų | 41 | 69.2 Ų | 69.2 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.9 | -30.7 | -174.9 | -165.1 | 43.3 | 0 | 0 | 0 | 112.9 | Y50 P59 K63 I64 S191 E192 G193 | Y50-L195 HydrophobicContact CE2-CD2 3.94Å; P59-L195 HydrophobicContact CB-CD1 4.03Å; P59-L195 HydrophobicContact CB-CD2 3.88Å; P59-L195 HydrophobicContact CB-CG 3.98Å; P59-L195 HydrophobicContact CG-CD1 4.27Å; P59-L195 HydrophobicContact CG-CD2 3.21Å; P59-L195 HydrophobicContact CG-CG 3.72Å; K63-L195 HydrophobicContact CB-CD1 4.32Å; I64-L195 HydrophobicContact CG1-CD2 3.83Å; S191-L195 WeakPolarHBondContact O-CB 3.29Å; S191-L195 PolarHBondContact O-N 2.78Å; E192-L195 PolarHBondContact O-N 3.1Å; E192-L195 VanDerWaalsContact O-N 3.16Å; G193-L195 VanDerWaalsContact C-N 3.34Å; G193-L195 PolarHBondContact O-N 2.99Å |
| 196 | N | 78.5 | Confident | 67.8 | Low | 50 Ų | 50 | 69.9 Ų | 69.9 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 5.3 | 174.7 | -71.1 | -16.5 | 0 | 0 | 0 | 113 | Y50 S56 E192 G193 H198 | Y50-N196 PolarHBondContact OH-OD1 2.71Å; S56-N196 PolarHBondContact OG-ND2 3.13Å; E192-N196 WeakPolarHBondContact O-CB 3.38Å; E192-N196 PolarHBondContact O-N 3Å; G193-N196 PolarHBondContact O-N 3.46Å; N196-H198 HydrophobicContact CB-CB 4.48Å; N196-H198 PolarHBondContact O-N 2.86Å; N196-H198 PolarHBondContact O-ND1 3.41Å |
| 197 | N | 73.9 | Confident | 65.9 | Low | 150 Ų | 150 | 74 Ų | 74 | 80% | 0.802 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 28.5 | -171.9 | -65.3 | -38.4 | 0 | 0 | 0 | 113.8 | G193 H194 | G193-N197 PolarHBondContact O-N 3.43Å; G193-N197 VanDerWaalsContact O-N 3.09Å; H194-N197 PolarHBondContact O-N 2.97Å |
| 198 | H | 69.1 | Low | 64.4 | Low | 142 Ų | 142 | 78.2 Ų | 78.2 | 66% | 0.657 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -104.1 | 149.8 | 177.5 | -82.6 | 61.1 | 0 | 0 | 0 | 109.8 | G193 N196 | G193-H198 CarbonylContact C-O 3.6Å; G193-H198 WeakPolarHBondContact CA-O 3.28Å; G193-H198 PolarHBondContact O-N 2.86Å; N196-H198 HydrophobicContact CB-CB 4.48Å; N196-H198 PolarHBondContact O-N 2.86Å; N196-H198 PolarHBondContact O-ND1 3.41Å |
| 199 | K | 59.6 | Low | 62.8 | Low | 188 Ų | 188 | 78 Ų | 78 | 82% | 0.817 | 43% | 0.433 | S | S | * | . | trans | -54.7 | 132.8 | 167.5 | -84.6 | -175.9 | 179.5 | 177.4 | 0 | 108.1 | S201 | K199-S201 VanDerWaalsContact C-N 3.34Å; K199-S201 PolarHBondContact O-N 2.87Å | ||
| 200 | P | 57.8 | Low | 61.7 | Low | 69 Ų | 69 | 85.1 Ų | 85.1 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | trans | -64.4 | 97.3 | 177.4 | 26.4 | -33.4 | 0 | 0 | 0 | 108.7 | W189 K202 | W189-P200 HydrophobicContact CE3-CB 4.24Å; W189-P200 WeakPolarHBondContact O-CB 3.14Å; P200-K202 PolarHBondContact O-N 3.24Å; P200-K202 VanDerWaalsContact O-N 3.1Å | ||
| 201 | S | 55.9 | Low | 60.3 | Low | 100 Ų | 100 | 88.5 Ų | 88.5 | 70% | 0.699 | 48% | 0.483 | S | S | * | . | trans | -73.4 | 105.4 | 176.8 | -64.3 | 0 | 0 | 0 | 0 | 108.4 | K199 | K199-S201 VanDerWaalsContact C-N 3.34Å; K199-S201 PolarHBondContact O-N 2.87Å | ||
| 202 | K | 55.9 | Low | 59.3 | Low | 57 Ų | 57 | 98 Ų | 98 | 25% | 0.248 | 52% | 0.518 | C | S | . | . | trans | -57.4 | 140 | 166.9 | -164.6 | 176.2 | -153.5 | -157.7 | 0 | 108.6 | W189 P200 T204 L206 P207 | W189-K202 HydrophobicContact CE3-CB 3.81Å; W189-K202 HydrophobicContact CE3-CG 4.18Å; W189-K202 HydrophobicContact CH2-CB 3.78Å; W189-K202 HydrophobicContact CH2-CD 3.73Å; W189-K202 HydrophobicContact CH2-CG 3.39Å; W189-K202 HydrophobicContact CZ2-CB 4.46Å; W189-K202 HydrophobicContact CZ2-CD 4.35Å; W189-K202 HydrophobicContact CZ2-CG 3.79Å; W189-K202 HydrophobicContact CZ3-CB 3.37Å; W189-K202 HydrophobicContact CZ3-CD 4.17Å; W189-K202 HydrophobicContact CZ3-CG 3.58Å; P200-K202 PolarHBondContact O-N 3.24Å; P200-K202 VanDerWaalsContact O-N 3.1Å; K202-T204 PolarHBondContact O-N 2.9Å; K202-L206 HydrophobicContact CD-CB 3.86Å; K202-L206 WeakPolarHBondContact CE-O 3.27Å; K202-L206 HydrophobicContact CG-CB 3.71Å; K202-L206 HydrophobicContact CG-CD1 4.04Å; K202-L206 HydrophobicContact CG-CG 4.42Å; K202-L206 PolarHBondContact NZ-O 3.17Å; K202-P207 PolarHBondContact NZ-O 3.42Å | ||
| 203 | P | 56 | Low | 58.7 | Low | 44 Ų | 44 | 98.4 Ų | 98.4 | 29% | 0.286 | 52% | 0.521 | S | S | . | . | trans | -50.4 | 129 | 164.5 | -24.9 | 33.2 | 0 | 0 | 0 | 109.4 | E205 L206 | P203-E205 PolarHBondContact O-N 3.34Å; P203-L206 HydrophobicContact CB-CB 4.46Å; P203-L206 HydrophobicContact CB-CD1 4.28Å; P203-L206 HydrophobicContact CG-CD1 3.87Å; P203-L206 WeakPolarHBondContact O-CB 3.34Å; P203-L206 PolarHBondContact O-N 3.3Å | ||
| 204 | T | 49.6 | Very low | 58.8 | Low | 151 Ų | 151 | 101 Ų | 101 | 93% | 0.926 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -26.9 | -172.8 | -47 | 0 | 0 | 0 | 0 | 113.6 | K202 | K202-T204 PolarHBondContact O-N 2.9Š|
| 205 | E | 51.2 | Low | 59.2 | Low | 112 Ų | 112 | 99.6 Ų | 99.6 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 6.8 | -177.4 | -63.1 | 178.6 | -173.3 | 0 | 0 | 115 | P203 P207 | P203-E205 PolarHBondContact O-N 3.34Å; E205-P207 WeakPolarHBondContact O-CD 3.36Å |
| 206 | L | 52.8 | Low | 59.5 | Low | 18 Ų | 18 | 102.1 Ų | 102.1 | 9% | 0.094 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -91.3 | 116.8 | -172 | -138.8 | 166.2 | 0 | 0 | 0 | 109.9 | W189 K202 P203 T208 | W189-L206 HydrophobicContact CZ2-CD1 4.22Å; K202-L206 HydrophobicContact CD-CB 3.86Å; K202-L206 WeakPolarHBondContact CE-O 3.27Å; K202-L206 HydrophobicContact CG-CB 3.71Å; K202-L206 HydrophobicContact CG-CD1 4.04Å; K202-L206 HydrophobicContact CG-CG 4.42Å; K202-L206 PolarHBondContact NZ-O 3.17Å; P203-L206 HydrophobicContact CB-CB 4.46Å; P203-L206 HydrophobicContact CB-CD1 4.28Å; P203-L206 HydrophobicContact CG-CD1 3.87Å; P203-L206 WeakPolarHBondContact O-CB 3.34Å; P203-L206 PolarHBondContact O-N 3.3Å; L206-T208 PolarHBondContact O-N 3.45Å |
| 207 | P | 43.6 | Very low | 59.8 | Low | 102 Ų | 102 | 105.6 Ų | 105.6 | 66% | 0.662 | 56% | 0.557 | S | S | * | * | trans | -52.3 | 129.4 | -175.3 | -24.8 | 30.8 | 0 | 0 | 0 | 111.8 | K202 E205 G209 | K202-P207 PolarHBondContact NZ-O 3.42Å; E205-P207 WeakPolarHBondContact O-CD 3.36Å; P207-G209 PolarHBondContact O-N 2.88Å | ||
| 208 | T | 44.8 | Very low | 60.5 | Low | 134 Ų | 134 | 98.6 Ų | 98.6 | 82% | 0.822 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -56.8 | -2.4 | -169.7 | 39.9 | 0 | 0 | 0 | 0 | 116.4 | L206 | L206-T208 PolarHBondContact O-N 3.45Š|
| 209 | G | 45.3 | Very low | 61.4 | Low | 52 Ų | 52 | 92.6 Ų | 92.6 | 54% | 0.536 | 50% | 0.495 | S | S | . | . | trans | -75.3 | 128.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P207 Q211 | P207-G209 PolarHBondContact O-N 2.88Å; G209-Q211 PolarHBondContact O-N 3.41Å | ||
| 210 | H | 43.7 | Very low | 62.8 | Low | 197 Ų | 197 | 91.4 Ų | 91.4 | 91% | 0.912 | 49% | 0.49 | S | S | * | . | trans | -65.5 | 13.4 | 169.4 | -84 | 70.3 | 0 | 0 | 0 | 114.4 | ||||
| 211 | Q | 45 | Very low | 64 | Low | 126 Ų | 126 | 90.3 Ų | 90.3 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | trans | -90.3 | 132.2 | -163.6 | -145.7 | 175.5 | 41.7 | 0 | 0 | 111.1 | G209 L213 R217 | G209-Q211 PolarHBondContact O-N 3.41Å; Q211-L213 PolarHBondContact O-N 3.48Å; Q211-L213 VanDerWaalsContact O-N 3.14Å; Q211-R217 VanDerWaalsContact OE1-NH1 3.07Å | ||
| 212 | R | 52.2 | Low | 65.4 | Low | 203 Ų | 203 | 85.7 Ų | 85.7 | 77% | 0.766 | 45% | 0.446 | S | S | * | . | trans | -37.3 | 116.4 | -178.9 | -61.2 | -178.4 | -175.6 | -165 | 1.5 | 111.3 | S214 | R212-S214 PolarHBondContact O-N 2.75Å; R212-S214 VanDerWaalsContact O-N 3.14Å | ||
| 213 | L | 64.1 | Low | 66.9 | Low | 37 Ų | 37 | 86.6 Ų | 86.6 | 19% | 0.194 | 45% | 0.453 | C | S | . | . | trans | -65.8 | 117.8 | 166.6 | -92.5 | 67.7 | 0 | 0 | 0 | 108 | L183 E186 Q211 | L183-L213 HydrophobicContact CD2-CB 3.71Å; E186-L213 HydrophobicContact CG-CD2 3.91Å; E186-L213 WeakPolarHBondContact OE1-CD1 3.35Å; E186-L213 WeakPolarHBondContact OE1-CD2 3.32Å; E186-L213 WeakPolarHBondContact OE2-CB 3.28Å; Q211-L213 PolarHBondContact O-N 3.48Å; Q211-L213 VanDerWaalsContact O-N 3.14Å | ||
| 214 | S | 78.7 | Confident | 68.3 | Low | 61 Ų | 61 | 89.1 Ų | 89.1 | 43% | 0.427 | 47% | 0.472 | S | S | . | . | trans | -92.8 | 157.3 | 172.1 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | R212 T216 R217 T218 | R212-S214 PolarHBondContact O-N 2.75Å; R212-S214 VanDerWaalsContact O-N 3.14Å; S214-T216 PolarHBondContact O-N 3.43Å; S214-T216 VanDerWaalsContact O-N 3.13Å; S214-R217 PolarHBondContact O-N 2.99Å; S214-T218 PolarHBondContact O-N 2.96Å; S214-T218 VanDerWaalsContact O-N 3.13Å | ||
| 215 | F | 85.6 | Confident | 69.6 | Low | 58 Ų | 58 | 83.9 Ų | 83.9 | 25% | 0.254 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -43 | -46.2 | 173.7 | 177.1 | -93.8 | 0 | 0 | 0 | 112.5 | P83 I176 I179 R217 T218 A219 | P83-F215 HydrophobicContact CB-CD2 3.9Å; P83-F215 HydrophobicContact CB-CE2 3.95Å; P83-F215 HydrophobicContact CG-CD2 4.42Å; I176-F215 HydrophobicContact CD1-CE2 4.12Å; I176-F215 HydrophobicContact CD1-CZ 3.89Å; I179-F215 HydrophobicContact CB-CE2 4.44Å; I179-F215 HydrophobicContact CD1-CE2 3.89Å; I179-F215 HydrophobicContact CD1-CZ 3.98Å; I179-F215 HydrophobicContact CG2-CD2 3.68Å; I179-F215 HydrophobicContact CG2-CE2 3.91Å; F215-R217 PolarHBondContact O-N 3.47Å; F215-T218 PolarHBondContact O-N 2.79Å; F215-A219 WeakPolarHBondContact O-CB 3.47Å; F215-A219 PolarHBondContact O-N 3.36Å |
| 216 | T | 86.6 | Confident | 70.8 | Confident | 94 Ų | 94 | 80.5 Ų | 80.5 | 58% | 0.577 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.3 | -35.9 | -177.3 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | S214 K220 | S214-T216 PolarHBondContact O-N 3.43Å; S214-T216 VanDerWaalsContact O-N 3.13Å; T216-K220 VanDerWaalsContact O-CB 3.31Å; T216-K220 WeakPolarHBondContact O-CB 3.37Å; T216-K220 PolarHBondContact O-N 3.38Å |
| 217 | R | 85.1 | Confident | 72.3 | Confident | 122 Ų | 122 | 81.1 Ų | 81.1 | 46% | 0.46 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.7 | -43.2 | 177.9 | -71 | -172.9 | 178.2 | 174.2 | -2.7 | 110.9 | Q211 S214 F215 A219 K220 Q221 | Q211-R217 VanDerWaalsContact OE1-NH1 3.07Å; S214-R217 PolarHBondContact O-N 2.99Å; F215-R217 PolarHBondContact O-N 3.47Å; R217-A219 VanDerWaalsContact C-N 3.34Å; R217-K220 PolarHBondContact O-N 3.05Å; R217-Q221 VanDerWaalsContact O-CB 3.29Å; R217-Q221 WeakPolarHBondContact O-CB 3.48Å; R217-Q221 PolarHBondContact O-N 3.23Å |
| 218 | T | 87.1 | Confident | 74.4 | Confident | 3 Ų | 3 | 82 Ų | 82 | 2% | 0.018 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | I179 R182 L183 S214 F215 Q221 L222 | I179-T218 HydrophobicContact CG2-CG2 4.07Å; R182-T218 HydrophobicContact CB-CG2 3.73Å; L183-T218 VanDerWaalsContact CD2-OG1 3.27Å; L183-T218 WeakPolarHBondContact CD2-OG1 3.47Å; L183-T218 HydrophobicContact CG-CG2 4.28Å; S214-T218 PolarHBondContact O-N 2.96Å; S214-T218 VanDerWaalsContact O-N 3.13Å; F215-T218 PolarHBondContact O-N 2.79Å; T218-Q221 PolarHBondContact O-N 3.38Å; T218-L222 VanDerWaalsContact O-CB 3.31Å; T218-L222 WeakPolarHBondContact O-CB 3.25Å; T218-L222 PolarHBondContact O-N 2.95Å |
| 219 | A | 88.9 | Confident | 76.3 | Confident | 17 Ų | 17 | 82.7 Ų | 82.7 | 14% | 0.14 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I179 F215 R217 Q221 L222 I223 | I179-A219 HydrophobicContact CD1-CB 3.88Å; F215-A219 WeakPolarHBondContact O-CB 3.47Å; F215-A219 PolarHBondContact O-N 3.36Å; R217-A219 VanDerWaalsContact C-N 3.34Å; A219-Q221 VanDerWaalsContact C-N 3.35Å; A219-Q221 PolarHBondContact O-N 3.47Å; A219-L222 PolarHBondContact O-N 3.34Å; A219-I223 VanDerWaalsContact O-CG1 3.3Å; A219-I223 WeakPolarHBondContact O-CG1 3.45Å; A219-I223 PolarHBondContact O-N 3.14Å |
| 220 | K | 88.2 | Confident | 78.2 | Confident | 162 Ų | 162 | 80.8 Ų | 80.8 | 70% | 0.704 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 177.3 | -173.9 | 176.6 | -178.8 | 177.8 | 0 | 111.9 | T216 R217 L222 I223 S224 | T216-K220 VanDerWaalsContact O-CB 3.31Å; T216-K220 WeakPolarHBondContact O-CB 3.37Å; T216-K220 PolarHBondContact O-N 3.38Å; R217-K220 PolarHBondContact O-N 3.05Å; K220-L222 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 3.41Å; K220-I223 PolarHBondContact O-N 2.88Å; K220-S224 PolarHBondContact O-N 3.46Å; K220-S224 PolarHBondContact O-OG 2.99Å |
| 221 | Q | 83.7 | Confident | 80.4 | Confident | 47 Ų | 47 | 72.5 Ų | 72.5 | 22% | 0.22 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 176.7 | -180 | -175.9 | -14.1 | 0 | 0 | 111.2 | R217 T218 A219 S224 E225 | R217-Q221 VanDerWaalsContact O-CB 3.29Å; R217-Q221 WeakPolarHBondContact O-CB 3.48Å; R217-Q221 PolarHBondContact O-N 3.23Å; T218-Q221 PolarHBondContact O-N 3.38Å; A219-Q221 VanDerWaalsContact C-N 3.35Å; A219-Q221 PolarHBondContact O-N 3.47Å; Q221-S224 VanDerWaalsContact C-OG 3.31Å; Q221-S224 VanDerWaalsContact CA-OG 3.31Å; Q221-S224 WeakPolarHBondContact CA-OG 3.23Å; Q221-S224 PolarHBondContact O-N 3.45Å; Q221-S224 PolarHBondContact O-OG 3.32Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.44Å; Q221-E225 PolarHBondContact NE2-OE1 2.93Å; Q221-E225 WeakPolarHBondContact O-CG 3.49Å; Q221-E225 PolarHBondContact O-N 3.14Å |
| 222 | L | 86.1 | Confident | 82.5 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.4 | -38.9 | -179.3 | -177 | 54.3 | 0 | 0 | 0 | 112.2 | L178 I179 T218 A219 K220 S224 E225 G226 L231 | L178-L222 HydrophobicContact CB-CD2 4.38Å; L178-L222 HydrophobicContact CD2-CD1 3.99Å; L178-L222 HydrophobicContact CD2-CD2 3.46Å; L178-L222 VanDerWaalsContact CD2-CD2 3.46Å; L178-L222 HydrophobicContact CD2-CG 4.24Å; L178-L222 HydrophobicContact CG-CD2 3.58Å; I179-L222 HydrophobicContact CG1-CD2 4.39Å; T218-L222 VanDerWaalsContact O-CB 3.31Å; T218-L222 WeakPolarHBondContact O-CB 3.25Å; T218-L222 PolarHBondContact O-N 2.95Å; A219-L222 PolarHBondContact O-N 3.34Å; K220-L222 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 3.41Å; L222-S224 VanDerWaalsContact C-N 3.31Å; L222-E225 PolarHBondContact O-N 3.43Å; L222-G226 PolarHBondContact O-N 2.95Å; L222-G226 VanDerWaalsContact O-N 3.11Å; L222-L231 HydrophobicContact CB-CD2 4.42Å; L222-L231 HydrophobicContact CD2-CD2 3.59Å; L222-L231 HydrophobicContact CG-CD2 3.96Å |
| 223 | I | 87.1 | Confident | 84 | Confident | 76 Ų | 76 | 63 Ų | 63 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 172 | -66.1 | 165.7 | 0 | 0 | 0 | 110.6 | A219 K220 G227 L231 | A219-I223 VanDerWaalsContact O-CG1 3.3Å; A219-I223 WeakPolarHBondContact O-CG1 3.45Å; A219-I223 PolarHBondContact O-N 3.14Å; K220-I223 PolarHBondContact O-N 2.88Å; I223-G227 WeakPolarHBondContact O-CA 3.08Å; I223-G227 PolarHBondContact O-N 2.86Å; I223-L231 HydrophobicContact CD1-CD1 4.43Å; I223-L231 HydrophobicContact CG1-CD1 4.14Å; I223-L231 HydrophobicContact CG1-CD2 4.39Å; I223-L231 HydrophobicContact CG1-CG 4.31Å |
| 224 | S | 84.1 | Confident | 85 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 68% | 0.678 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -71.6 | -29 | 175.2 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | K220 Q221 L222 | K220-S224 PolarHBondContact O-N 3.46Å; K220-S224 PolarHBondContact O-OG 2.99Å; Q221-S224 VanDerWaalsContact C-OG 3.31Å; Q221-S224 VanDerWaalsContact CA-OG 3.31Å; Q221-S224 WeakPolarHBondContact CA-OG 3.23Å; Q221-S224 PolarHBondContact O-N 3.45Å; Q221-S224 PolarHBondContact O-OG 3.32Å; L222-S224 VanDerWaalsContact C-N 3.31Å |
| 225 | E | 78.7 | Confident | 85.5 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 19% | 0.192 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -80.1 | -31.4 | -179.5 | -77.4 | 177.5 | -152.4 | 0 | 0 | 113.8 | R182 Q221 L222 | R182-E225 IonicContact CZ-OE2 3.8Å; R182-E225 VanDerWaalsContact CZ-OE2 3.23Å; R182-E225 IonicContact NH1-OE1 2.82Å; R182-E225 PolarHBondContact NH1-OE1 2.96Å; R182-E225 IonicContact NH1-OE2 3.36Å; R182-E225 PolarHBondContact NH1-OE2 2.89Å; R182-E225 IonicContact NH2-OE2 3.72Å; R182-E225 PolarHBondContact NH2-OE2 2.95Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.44Å; Q221-E225 PolarHBondContact NE2-OE1 2.93Å; Q221-E225 WeakPolarHBondContact O-CG 3.49Å; Q221-E225 PolarHBondContact O-N 3.14Å; L222-E225 PolarHBondContact O-N 3.43Å |
| 226 | G | 76.2 | Confident | 85.6 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -147.9 | 12.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L222 G230 | L222-G226 PolarHBondContact O-N 2.95Å; L222-G226 VanDerWaalsContact O-N 3.11Å; G226-G230 WeakPolarHBondContact O-CA 3.23Å; G226-G230 PolarHBondContact O-N 3.2Å |
| 227 | G | 83.9 | Confident | 85.8 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 32% | 0.32 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -165.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I223 I229 G230 | I223-G227 WeakPolarHBondContact O-CA 3.08Å; I223-G227 PolarHBondContact O-N 2.86Å; G227-I229 VanDerWaalsContact C-N 3.32Å; G227-I229 PolarHBondContact O-N 2.94Å; G227-G230 PolarHBondContact O-N 3.49Å |
| 228 | I | 86.6 | Confident | 86.1 | Confident | 121 Ų | 121 | 51.6 Ų | 51.6 | 62% | 0.621 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -35.4 | 179.1 | -63.6 | 145 | 0 | 0 | 0 | 110.9 | G230 L231 W232 | I228-G230 PolarHBondContact O-N 3.41Å; I228-L231 HydrophobicContact CG2-CD1 4.47Å; I228-L231 VanDerWaalsContact O-CB 3.26Å; I228-L231 WeakPolarHBondContact O-CB 3.1Å; I228-L231 PolarHBondContact O-N 3.49Å; I228-L231 VanDerWaalsContact O-N 3.13Å; I228-W232 HydrophobicContact CG2-CZ3 4.42Å |
| 229 | I | 86.5 | Confident | 86.3 | Confident | 149 Ų | 149 | 52.8 Ų | 52.8 | 76% | 0.764 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -65.4 | -31.2 | 176.4 | -60 | 171.4 | 0 | 0 | 0 | 110.7 | G227 L231 W232 | G227-I229 VanDerWaalsContact C-N 3.32Å; G227-I229 PolarHBondContact O-N 2.94Å; I229-L231 PolarHBondContact O-N 3.43Å; I229-L231 VanDerWaalsContact O-N 3.1Å; I229-W232 PolarHBondContact O-N 2.97Å |
| 230 | G | 84.8 | Confident | 86.4 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -55.9 | -24.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L178 G226 G227 I228 W232 R233 | L178-G230 VanDerWaalsContact CD2-O 3.22Å; L178-G230 WeakPolarHBondContact CD2-O 3.42Å; G226-G230 WeakPolarHBondContact O-CA 3.23Å; G226-G230 PolarHBondContact O-N 3.2Å; G227-G230 PolarHBondContact O-N 3.49Å; I228-G230 PolarHBondContact O-N 3.41Å; G230-W232 PolarHBondContact O-N 3.34Å; G230-R233 WeakPolarHBondContact O-CB 3.27Å; G230-R233 PolarHBondContact O-N 2.92Å; G230-R233 VanDerWaalsContact O-N 3.14Å |
| 231 | L | 88.5 | Confident | 86.5 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -65.4 | -25 | 174.4 | -67 | 166.6 | 0 | 0 | 0 | 113 | P175 L178 L222 I223 I228 I229 R233 | P175-L231 VanDerWaalsContact CA-O 3.26Å; P175-L231 WeakPolarHBondContact CA-O 3.36Å; P175-L231 HydrophobicContact CB-CB 4Å; P175-L231 HydrophobicContact CG-CB 4.14Å; L178-L231 VanDerWaalsContact CD2-O 3.3Å; L178-L231 WeakPolarHBondContact CD2-O 3.42Å; L222-L231 HydrophobicContact CB-CD2 4.42Å; L222-L231 HydrophobicContact CD2-CD2 3.59Å; L222-L231 HydrophobicContact CG-CD2 3.96Å; I223-L231 HydrophobicContact CD1-CD1 4.43Å; I223-L231 HydrophobicContact CG1-CD1 4.14Å; I223-L231 HydrophobicContact CG1-CD2 4.39Å; I223-L231 HydrophobicContact CG1-CG 4.31Å; I228-L231 HydrophobicContact CG2-CD1 4.47Å; I228-L231 VanDerWaalsContact O-CB 3.26Å; I228-L231 WeakPolarHBondContact O-CB 3.1Å; I228-L231 PolarHBondContact O-N 3.49Å; I228-L231 VanDerWaalsContact O-N 3.13Å; I229-L231 PolarHBondContact O-N 3.43Å; I229-L231 VanDerWaalsContact O-N 3.1Å; L231-R233 VanDerWaalsContact C-N 3.33Å |
| 232 | W | 90.2 | Very high | 86.7 | Confident | 93 Ų | 93 | 48.4 Ų | 48.4 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -92.8 | 11.3 | 175.5 | -82 | -94.4 | 0 | 0 | 0 | 113.3 | F171 P175 I228 I229 G230 G234 G235 | F171-W232 AromaticContact CE1-NE1 3.76Å; F171-W232 AromaticContact CE2-CD1 3.62Å; F171-W232 AromaticContact CZ-CD1 3.61Å; F171-W232 HydrophobicContact CZ-CG 4.46Å; F171-W232 AromaticContact CZ-NE1 3.77Å; F171-W232 PolarHBondContact O-NE1 2.95Å; F171-W232 VanDerWaalsContact O-NE1 3.14Å; P175-W232 HydrophobicContact CG-CD2 3.78Å; P175-W232 HydrophobicContact CG-CE3 4.05Å; P175-W232 HydrophobicContact CG-CG 4.4Å; P175-W232 HydrophobicContact CG-CH2 3.93Å; P175-W232 HydrophobicContact CG-CZ2 3.64Å; P175-W232 HydrophobicContact CG-CZ3 4.12Å; I228-W232 HydrophobicContact CG2-CZ3 4.42Å; I229-W232 PolarHBondContact O-N 2.97Å; G230-W232 PolarHBondContact O-N 3.34Å; W232-G234 PolarHBondContact O-N 2.86Å; W232-G235 WeakPolarHBondContact O-CA 3.5Å; W232-G235 PolarHBondContact O-N 2.98Å |
| 233 | R | 83.7 | Confident | 86.9 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 125.9 | 176.5 | -174.3 | 176.6 | -177.2 | 166 | -2 | 110.7 | L178 G230 L231 G235 Q301 T303 | L178-R233 HydrophobicContact CD2-CB 3.95Å; G230-R233 WeakPolarHBondContact O-CB 3.27Å; G230-R233 PolarHBondContact O-N 2.92Å; G230-R233 VanDerWaalsContact O-N 3.14Å; L231-R233 VanDerWaalsContact C-N 3.33Å; R233-G235 PolarHBondContact O-N 3.29Å; R233-Q301 VanDerWaalsContact NE-NE2 3.1Å; R233-Q301 VanDerWaalsContact NH2-CG 3.28Å; R233-T303 PolarHBondContact NH1-OG1 2.74Å |
| 234 | G | 85.2 | Confident | 86.9 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | W232 P237 N238 | W232-G234 PolarHBondContact O-N 2.86Å; G234-P237 VanDerWaalsContact O-CD 3.31Å; G234-P237 WeakPolarHBondContact O-CD 3.49Å; G234-N238 WeakPolarHBondContact O-CB 3.42Å; G234-N238 PolarHBondContact O-N 3.25Å |
| 235 | G | 88.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | W232 R233 N238 V239 | W232-G235 WeakPolarHBondContact O-CA 3.5Å; W232-G235 PolarHBondContact O-N 2.98Å; R233-G235 PolarHBondContact O-N 3.29Å; G235-N238 VanDerWaalsContact O-CB 3.27Å; G235-N238 WeakPolarHBondContact O-CB 3.34Å; G235-N238 PolarHBondContact O-N 3.45Å; G235-N238 VanDerWaalsContact O-N 3.15Å; G235-V239 WeakPolarHBondContact O-CG2 3.31Å; G235-V239 PolarHBondContact O-N 2.89Å |
| 236 | L | 88.8 | Confident | 87.4 | Confident | 114 Ų | 114 | 45.3 Ų | 45.3 | 60% | 0.597 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.6 | -53.4 | 174.9 | 178.7 | 67.8 | 0 | 0 | 0 | 112.7 | N238 V239 Q240 | L236-N238 PolarHBondContact O-N 3.39Å; L236-V239 PolarHBondContact O-N 3.47Å; L236-V239 VanDerWaalsContact O-N 3.16Å; L236-Q240 HydrophobicContact CD1-CG 4.31Å; L236-Q240 HydrophobicContact CG-CG 4.45Å; L236-Q240 WeakPolarHBondContact O-CG 3.48Å; L236-Q240 PolarHBondContact O-N 3.37Å |
| 237 | P | 90.3 | Very high | 87.8 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55 | -34.6 | 172.4 | -14.1 | 11.7 | 0 | 0 | 0 | 113.1 | G234 R241 K295 M298 V319 | G234-P237 VanDerWaalsContact O-CD 3.31Å; G234-P237 WeakPolarHBondContact O-CD 3.49Å; P237-R241 WeakPolarHBondContact O-CB 3.3Å; P237-R241 PolarHBondContact O-N 3.5Å; P237-K295 HydrophobicContact CB-CB 4.25Å; P237-M298 HydrophobicContact CB-SD 4.43Å; P237-M298 HydrophobicContact CG-CB 4.46Å; P237-M298 HydrophobicContact CG-CE 3.91Å; P237-M298 HydrophobicContact CG-SD 3.55Å; P237-M298 VanDerWaalsContact CG-SD 3.55Å; P237-V319 HydrophobicContact CB-CG2 4.1Å; P237-V319 HydrophobicContact CG-CG2 3.66Å |
| 238 | N | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 178.2 | -167.9 | 26.1 | 0 | 0 | 0 | 112.8 | Q170 S174 D177 G234 G235 L236 A242 K295 M299 | Q170-N238 VanDerWaalsContact NE2-CG 3.26Å; Q170-N238 PolarHBondContact NE2-ND2 2.75Å; Q170-N238 PolarHBondContact NE2-OD1 3.33Å; S174-N238 PolarHBondContact OG-ND2 2.99Å; D177-N238 PolarHBondContact OD2-ND2 3.2Å; G234-N238 WeakPolarHBondContact O-CB 3.42Å; G234-N238 PolarHBondContact O-N 3.25Å; G235-N238 VanDerWaalsContact O-CB 3.27Å; G235-N238 WeakPolarHBondContact O-CB 3.34Å; G235-N238 PolarHBondContact O-N 3.45Å; G235-N238 VanDerWaalsContact O-N 3.15Å; L236-N238 PolarHBondContact O-N 3.39Å; N238-A242 PolarHBondContact O-N 3.05Å; N238-A242 VanDerWaalsContact O-N 3.13Å; N238-K295 HydrophobicContact CB-CD 4.3Å; N238-K295 WeakPolarHBondContact OD1-CE 3.25Å; N238-K295 PolarHBondContact OD1-NZ 3.11Å; N238-M299 HydrophobicContact CB-CE 4.24Å |
| 239 | V | 92.2 | Very high | 87.9 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.7 | -48.1 | 175 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | F171 G235 L236 R241 A242 A243 | F171-V239 HydrophobicContact CB-CG2 3.79Å; F171-V239 HydrophobicContact CD2-CG2 4.36Å; G235-V239 WeakPolarHBondContact O-CG2 3.31Å; G235-V239 PolarHBondContact O-N 2.89Å; L236-V239 PolarHBondContact O-N 3.47Å; L236-V239 VanDerWaalsContact O-N 3.16Å; V239-R241 VanDerWaalsContact C-N 3.31Å; V239-R241 PolarHBondContact O-N 2.93Å; V239-A242 WeakPolarHBondContact O-CB 3.23Å; V239-A242 PolarHBondContact O-N 3.23Å; V239-A243 PolarHBondContact O-N 2.95Å |
| 240 | Q | 89.7 | Confident | 87.7 | Confident | 82 Ų | 82 | 40.5 Ų | 40.5 | 38% | 0.383 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.4 | -47 | 177.3 | -73.9 | 176.5 | -31.9 | 0 | 0 | 111.4 | L236 A242 A243 L244 | L236-Q240 HydrophobicContact CD1-CG 4.31Å; L236-Q240 HydrophobicContact CG-CG 4.45Å; L236-Q240 WeakPolarHBondContact O-CG 3.48Å; L236-Q240 PolarHBondContact O-N 3.37Å; Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-A242 PolarHBondContact O-N 3.46Å; Q240-A243 PolarHBondContact O-N 3.11Å; Q240-L244 WeakPolarHBondContact O-CB 3.36Å; Q240-L244 VanDerWaalsContact O-CG 3.28Å; Q240-L244 WeakPolarHBondContact O-CG 3.48Å; Q240-L244 PolarHBondContact O-N 3.24Å |
| 241 | R | 90.7 | Very high | 87.8 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 174.8 | 177.2 | -123.8 | 76.5 | 89.4 | -5 | 112.3 | P237 V239 V245 A291 D292 | P237-R241 WeakPolarHBondContact O-CB 3.3Å; P237-R241 PolarHBondContact O-N 3.5Å; V239-R241 VanDerWaalsContact C-N 3.31Å; V239-R241 PolarHBondContact O-N 2.93Å; R241-V245 WeakPolarHBondContact O-CG2 3.47Å; R241-V245 PolarHBondContact O-N 3.37Å; R241-V245 VanDerWaalsContact O-N 3.07Å; R241-A291 HydrophobicContact CB-CB 4.22Å; R241-A291 HydrophobicContact CG-CB 4.4Å; R241-D292 WeakPolarHBondContact CD-OD1 3.24Å; R241-D292 WeakPolarHBondContact CG-OD1 3.16Å; R241-D292 IonicContact NH1-OD1 3.79Å |
| 242 | A | 89 | Confident | 87.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q170 N238 V239 Q240 N246 | Q170-A242 HydrophobicContact CB-CB 4.18Å; Q170-A242 HydrophobicContact CG-CB 3.95Å; N238-A242 PolarHBondContact O-N 3.05Å; N238-A242 VanDerWaalsContact O-N 3.13Å; V239-A242 WeakPolarHBondContact O-CB 3.23Å; V239-A242 PolarHBondContact O-N 3.23Å; Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-A242 PolarHBondContact O-N 3.46Å; A242-N246 WeakPolarHBondContact O-CB 3.29Å; A242-N246 PolarHBondContact O-N 3.12Å; A242-N246 VanDerWaalsContact O-N 3.12Å; A242-N246 PolarHBondContact O-ND2 3.42Å; A242-N246 VanDerWaalsContact O-ND2 3.15Å |
| 243 | A | 88.7 | Confident | 87.7 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V163 V239 Q240 N246 M247 | V163-A243 HydrophobicContact CG1-CB 4.22Å; V239-A243 PolarHBondContact O-N 2.95Å; Q240-A243 PolarHBondContact O-N 3.11Å; A243-N246 PolarHBondContact O-N 3.34Å; A243-M247 WeakPolarHBondContact O-CB 3.47Å; A243-M247 PolarHBondContact O-N 2.92Å |
| 244 | L | 87.7 | Confident | 87.8 | Confident | 85 Ų | 85 | 44.7 Ų | 44.7 | 45% | 0.445 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.7 | -46.2 | -179.8 | -76.3 | 170.9 | 0 | 0 | 0 | 112.6 | Q240 G248 A291 | Q240-L244 WeakPolarHBondContact O-CB 3.36Å; Q240-L244 VanDerWaalsContact O-CG 3.28Å; Q240-L244 WeakPolarHBondContact O-CG 3.48Å; Q240-L244 PolarHBondContact O-N 3.24Å; L244-G248 PolarHBondContact O-N 2.85Å; L244-A291 HydrophobicContact CD1-CB 4.04Å |
| 245 | V | 88 | Confident | 87.9 | Confident | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -48 | 179.6 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | R241 M247 G248 E249 | R241-V245 WeakPolarHBondContact O-CG2 3.47Å; R241-V245 PolarHBondContact O-N 3.37Å; R241-V245 VanDerWaalsContact O-N 3.07Å; V245-M247 PolarHBondContact O-N 2.88Å; V245-G248 PolarHBondContact O-N 3.41Å; V245-E249 HydrophobicContact CG1-CG 4.44Å; V245-E249 WeakPolarHBondContact CG1-OE1 3.25Å; V245-E249 WeakPolarHBondContact O-CB 3.41Å; V245-E249 WeakPolarHBondContact O-CG 3.45Å; V245-E249 PolarHBondContact O-N 3.47Å |
| 246 | N | 85.7 | Confident | 88 | Confident | 31 Ų | 31 | 49.3 Ų | 49.3 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 178.7 | -69.8 | -24.3 | 0 | 0 | 0 | 111.8 | V163 A242 A243 L250 | V163-N246 HydrophobicContact CG2-CB 4.1Å; A242-N246 WeakPolarHBondContact O-CB 3.29Å; A242-N246 PolarHBondContact O-N 3.12Å; A242-N246 VanDerWaalsContact O-N 3.12Å; A242-N246 PolarHBondContact O-ND2 3.42Å; A242-N246 VanDerWaalsContact O-ND2 3.15Å; A243-N246 PolarHBondContact O-N 3.34Å; N246-L250 WeakPolarHBondContact O-CB 3.4Å; N246-L250 WeakPolarHBondContact O-CD1 3.37Å; N246-L250 VanDerWaalsContact O-CG 3.26Å; N246-L250 WeakPolarHBondContact O-CG 3.28Å; N246-L250 PolarHBondContact O-N 3.07Å |
| 247 | M | 83.7 | Confident | 88 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 46% | 0.458 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66 | -42.3 | 179 | -175.9 | -177.6 | -68.1 | 0 | 0 | 111.8 | A243 V245 T251 | A243-M247 WeakPolarHBondContact O-CB 3.47Å; A243-M247 PolarHBondContact O-N 2.92Å; V245-M247 PolarHBondContact O-N 2.88Å; M247-T251 HydrophobicContact CG-CG2 4.32Å; M247-T251 WeakPolarHBondContact O-CB 3.24Å; M247-T251 WeakPolarHBondContact O-CG2 3.2Å; M247-T251 PolarHBondContact O-N 2.86Å; M247-T251 PolarHBondContact O-OG1 2.87Å |
| 248 | G | 86 | Confident | 87.9 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L244 V245 T252 | L244-G248 PolarHBondContact O-N 2.85Å; V245-G248 PolarHBondContact O-N 3.41Å; G248-T252 WeakPolarHBondContact O-CB 3.42Å; G248-T252 PolarHBondContact O-N 3.15Å; G248-T252 VanDerWaalsContact O-N 3.07Å; G248-T252 PolarHBondContact O-OG1 3.42Å |
| 249 | E | 86.2 | Confident | 87.8 | Confident | 68 Ų | 68 | 62.3 Ų | 62.3 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -49 | 176.6 | -74.4 | 176.7 | -176.7 | 0 | 0 | 111.7 | V245 Y253 A284 | V245-E249 HydrophobicContact CG1-CG 4.44Å; V245-E249 WeakPolarHBondContact CG1-OE1 3.25Å; V245-E249 WeakPolarHBondContact O-CB 3.41Å; V245-E249 WeakPolarHBondContact O-CG 3.45Å; V245-E249 PolarHBondContact O-N 3.47Å; E249-Y253 WeakPolarHBondContact O-CB 3.48Å; E249-Y253 PolarHBondContact O-N 3.03Å; E249-A284 HydrophobicContact CG-CB 3.45Å; E249-A284 VanDerWaalsContact CG-CB 3.45Å |
| 250 | L | 82.9 | Confident | 87.7 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.8 | -54.2 | -177.4 | -70.6 | 166.6 | 0 | 0 | 0 | 112 | A159 V163 N246 T252 Y253 D254 | A159-L250 HydrophobicContact CB-CD1 3.86Å; V163-L250 HydrophobicContact CG2-CD1 4.35Å; N246-L250 WeakPolarHBondContact O-CB 3.4Å; N246-L250 WeakPolarHBondContact O-CD1 3.37Å; N246-L250 VanDerWaalsContact O-CG 3.26Å; N246-L250 WeakPolarHBondContact O-CG 3.28Å; N246-L250 PolarHBondContact O-N 3.07Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-T252 PolarHBondContact O-N 3.31Å; L250-Y253 PolarHBondContact O-N 3.35Å; L250-D254 PolarHBondContact O-N 2.98Å |
| 251 | T | 86.7 | Confident | 87.7 | Confident | 78 Ų | 78 | 60.1 Ų | 60.1 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | -176.3 | 56 | 0 | 0 | 0 | 0 | 111.9 | M247 T255 | M247-T251 HydrophobicContact CG-CG2 4.32Å; M247-T251 WeakPolarHBondContact O-CB 3.24Å; M247-T251 WeakPolarHBondContact O-CG2 3.2Å; M247-T251 PolarHBondContact O-N 2.86Å; M247-T251 PolarHBondContact O-OG1 2.87Å; T251-T255 VanDerWaalsContact O-CB 3.32Å; T251-T255 WeakPolarHBondContact O-CB 3.45Å; T251-T255 PolarHBondContact O-N 2.98Å; T251-T255 VanDerWaalsContact O-N 3.15Å; T251-T255 PolarHBondContact O-OG1 3.24Å |
| 252 | T | 88.7 | Confident | 87.6 | Confident | 23 Ų | 23 | 63 Ų | 63 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73 | -35.4 | 178 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | G248 L250 T255 S256 T279 V283 | G248-T252 WeakPolarHBondContact O-CB 3.42Å; G248-T252 PolarHBondContact O-N 3.15Å; G248-T252 VanDerWaalsContact O-N 3.07Å; G248-T252 PolarHBondContact O-OG1 3.42Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-T252 PolarHBondContact O-N 3.31Å; T252-T255 PolarHBondContact O-N 2.9Å; T252-S256 WeakPolarHBondContact O-CB 3.34Å; T252-S256 PolarHBondContact O-N 2.83Å; T252-S256 PolarHBondContact O-OG 3.46Å; T252-T279 HydrophobicContact CG2-CG2 4.48Å; T252-V283 HydrophobicContact CG2-CB 3.81Å; T252-V283 HydrophobicContact CG2-CG1 4.17Å; T252-V283 HydrophobicContact CG2-CG2 3.79Å; T252-V283 WeakPolarHBondContact OG1-CG1 3.33Å |
| 253 | Y | 87.7 | Confident | 87.6 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 24% | 0.243 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61 | -50.5 | 177.8 | -176.9 | -94.8 | 0 | 0 | 0 | 111.4 | E249 L250 T255 S256 K257 H273 A276 S277 | E249-Y253 WeakPolarHBondContact O-CB 3.48Å; E249-Y253 PolarHBondContact O-N 3.03Å; L250-Y253 PolarHBondContact O-N 3.35Å; Y253-T255 PolarHBondContact O-N 3.26Å; Y253-S256 PolarHBondContact O-N 3.44Å; Y253-S256 PolarHBondContact O-OG 3.5Å; Y253-K257 VanDerWaalsContact O-CB 3.25Å; Y253-K257 WeakPolarHBondContact O-CB 3.47Å; Y253-K257 PolarHBondContact O-N 3.39Å; Y253-H273 AromaticContact CZ-ND1 3.99Å; Y253-H273 PolarHBondContact OH-ND1 2.85Å; Y253-A276 HydrophobicContact CD2-CB 3.96Å; Y253-A276 HydrophobicContact CE2-CB 3.82Å; Y253-S277 WeakPolarHBondContact CE2-OG 3.49Å |
| 254 | D | 85.7 | Confident | 87.6 | Confident | 90 Ų | 90 | 76.3 Ų | 76.3 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | -179.7 | -68.7 | -31.8 | 0 | 0 | 0 | 111.5 | L250 R258 | L250-D254 PolarHBondContact O-N 2.98Å; D254-R258 WeakPolarHBondContact O-CB 3.37Å; D254-R258 PolarHBondContact O-N 3.11Å |
| 255 | T | 88.9 | Confident | 87.4 | Confident | 98 Ų | 98 | 80.5 Ų | 80.5 | 60% | 0.601 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.8 | -45.7 | 178.4 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | T251 T252 Y253 R258 W259 | T251-T255 VanDerWaalsContact O-CB 3.32Å; T251-T255 WeakPolarHBondContact O-CB 3.45Å; T251-T255 PolarHBondContact O-N 2.98Å; T251-T255 VanDerWaalsContact O-N 3.15Å; T251-T255 PolarHBondContact O-OG1 3.24Å; T252-T255 PolarHBondContact O-N 2.9Å; Y253-T255 PolarHBondContact O-N 3.26Å; T255-R258 PolarHBondContact O-N 3.31Å; T255-W259 WeakPolarHBondContact O-CB 3.41Å; T255-W259 PolarHBondContact O-N 3.06Å |
| 256 | S | 89.4 | Confident | 87 | Confident | 8 Ų | 8 | 82.6 Ų | 82.6 | 6% | 0.056 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69 | -42 | -179.9 | 61.5 | 0 | 0 | 0 | 0 | 111.5 | T252 Y253 R258 W259 F260 A276 | T252-S256 WeakPolarHBondContact O-CB 3.34Å; T252-S256 PolarHBondContact O-N 2.83Å; T252-S256 PolarHBondContact O-OG 3.46Å; Y253-S256 PolarHBondContact O-N 3.44Å; Y253-S256 PolarHBondContact O-OG 3.5Å; S256-R258 VanDerWaalsContact C-N 3.33Å; S256-R258 PolarHBondContact O-N 2.93Å; S256-W259 PolarHBondContact O-N 3.32Å; S256-F260 WeakPolarHBondContact O-CD2 3.49Å; S256-F260 PolarHBondContact O-N 3.48Å; S256-A276 WeakPolarHBondContact OG-CA 3.46Å; S256-A276 PolarHBondContact OG-O 2.7Å |
| 257 | K | 89.5 | Confident | 87 | Confident | 53 Ų | 53 | 89.4 Ų | 89.4 | 23% | 0.23 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56.1 | -49.6 | 173.8 | -174.2 | -174.7 | 178.4 | -172.3 | 0 | 110.5 | Y253 W259 F260 A261 D268 L272 A276 | Y253-K257 VanDerWaalsContact O-CB 3.25Å; Y253-K257 WeakPolarHBondContact O-CB 3.47Å; Y253-K257 PolarHBondContact O-N 3.39Å; K257-W259 VanDerWaalsContact C-N 3.33Å; K257-W259 PolarHBondContact O-N 3.08Å; K257-F260 PolarHBondContact O-N 3.14Å; K257-A261 VanDerWaalsContact O-CB 3.27Å; K257-A261 WeakPolarHBondContact O-CB 3.28Å; K257-A261 PolarHBondContact O-N 3.39Å; K257-D268 WeakPolarHBondContact CE-OD1 3.28Å; K257-D268 IonicContact NZ-OD1 2.74Å; K257-D268 PolarHBondContact NZ-OD1 3.04Å; K257-L272 HydrophobicContact CG-CD1 4.32Å; K257-L272 HydrophobicContact CG-CD2 4.03Å; K257-L272 HydrophobicContact CG-CG 4.07Å; K257-A276 HydrophobicContact CB-CB 3.97Å |
| 258 | R | 87.5 | Confident | 86.8 | Confident | 193 Ų | 193 | 90.8 Ų | 90.8 | 73% | 0.728 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.4 | -41.5 | 178.1 | -168.8 | 178.4 | -179.4 | 95.7 | 0 | 111.7 | D254 T255 S256 V262 | D254-R258 WeakPolarHBondContact O-CB 3.37Å; D254-R258 PolarHBondContact O-N 3.11Å; T255-R258 PolarHBondContact O-N 3.31Å; S256-R258 VanDerWaalsContact C-N 3.33Å; S256-R258 PolarHBondContact O-N 2.93Å; R258-V262 WeakPolarHBondContact O-CB 3.02Å; R258-V262 VanDerWaalsContact O-CG2 3.3Å; R258-V262 WeakPolarHBondContact O-CG2 3.45Å; R258-V262 PolarHBondContact O-N 3.36Å |
| 259 | W | 89.2 | Confident | 86.8 | Confident | 149 Ų | 149 | 92.1 Ų | 92.1 | 56% | 0.564 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.5 | -47.2 | 178.8 | -172.3 | 86.6 | 0 | 0 | 0 | 112.3 | T255 S256 K257 V262 R263 F264 | T255-W259 WeakPolarHBondContact O-CB 3.41Å; T255-W259 PolarHBondContact O-N 3.06Å; S256-W259 PolarHBondContact O-N 3.32Å; K257-W259 VanDerWaalsContact C-N 3.33Å; K257-W259 PolarHBondContact O-N 3.08Å; W259-V262 PolarHBondContact O-N 3.13Å; W259-R263 HydrophobicContact CH2-CG 4.43Å; W259-R263 HydrophobicContact CZ2-CG 4.33Å; W259-R263 WeakPolarHBondContact O-CB 3.28Å; W259-R263 PolarHBondContact O-N 3.25Å; W259-F264 HydrophobicContact CH2-CE2 4.23Å; W259-F264 AromaticContact CZ3-CE2 3.88Å; W259-F264 HydrophobicContact CZ3-CE2 3.88Å |
| 260 | F | 90.5 | Very high | 86.8 | Confident | 32 Ų | 32 | 94 Ų | 94 | 14% | 0.14 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 177.5 | -76.8 | -65.6 | 0 | 0 | 0 | 112.5 | S256 K257 F264 L266 L272 C275 T279 | S256-F260 WeakPolarHBondContact O-CD2 3.49Å; S256-F260 PolarHBondContact O-N 3.48Å; K257-F260 PolarHBondContact O-N 3.14Å; F260-F264 AromaticContact CD1-CD2 3.7Å; F260-F264 HydrophobicContact CD1-CD2 3.7Å; F260-F264 AromaticContact CD1-CE2 3.75Å; F260-F264 HydrophobicContact CD1-CE2 3.75Å; F260-F264 HydrophobicContact CE1-CD2 4.4Å; F260-F264 HydrophobicContact CE1-CE2 4.01Å; F260-F264 WeakPolarHBondContact O-CB 3.49Å; F260-F264 PolarHBondContact O-N 2.94Å; F260-L266 HydrophobicContact CB-CD1 4.41Å; F260-L272 HydrophobicContact CB-CD1 3.51Å; F260-C275 HydrophobicContact CD1-CB 4.43Å; F260-C275 HydrophobicContact CD2-CB 3.99Å; F260-C275 HydrophobicContact CE1-CB 4.32Å; F260-C275 HydrophobicContact CE2-CB 3.9Å; F260-C275 HydrophobicContact CG-CB 4.3Å; F260-C275 HydrophobicContact CZ-CB 4.08Å; F260-T279 WeakPolarHBondContact CE2-OG1 3.24Å |
| 261 | A | 89.3 | Confident | 87.1 | Confident | 33 Ų | 33 | 96.2 Ų | 96.2 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K257 Q265 L272 | K257-A261 VanDerWaalsContact O-CB 3.27Å; K257-A261 WeakPolarHBondContact O-CB 3.28Å; K257-A261 PolarHBondContact O-N 3.39Å; A261-Q265 WeakPolarHBondContact O-CA 3.35Å; A261-Q265 PolarHBondContact O-N 3.46Å; A261-L272 HydrophobicContact CB-CD1 4.35Å; A261-L272 HydrophobicContact CB-CD2 4.26Å |
| 262 | V | 89.4 | Confident | 87.2 | Confident | 109 Ų | 109 | 92.7 Ų | 92.7 | 66% | 0.661 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -73 | -42.5 | 179.6 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | R258 W259 | R258-V262 WeakPolarHBondContact O-CB 3.02Å; R258-V262 VanDerWaalsContact O-CG2 3.3Å; R258-V262 WeakPolarHBondContact O-CG2 3.45Å; R258-V262 PolarHBondContact O-N 3.36Å; W259-V262 PolarHBondContact O-N 3.13Å |
| 263 | R | 88.8 | Confident | 87.2 | Confident | 180 Ų | 180 | 94.9 Ų | 94.9 | 68% | 0.679 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -77.6 | -39.6 | -171.9 | -175.8 | 57.1 | 179.5 | 142 | -2.6 | 113.4 | W259 | W259-R263 HydrophobicContact CH2-CG 4.43Å; W259-R263 HydrophobicContact CZ2-CG 4.33Å; W259-R263 WeakPolarHBondContact O-CB 3.28Å; W259-R263 PolarHBondContact O-N 3.25Å |
| 264 | F | 88 | Confident | 87.3 | Confident | 123 Ų | 123 | 96.6 Ų | 96.6 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -107.2 | 1 | -176.7 | -66.9 | -82.1 | 0 | 0 | 0 | 113.2 | W259 F260 L266 | W259-F264 HydrophobicContact CH2-CE2 4.23Å; W259-F264 AromaticContact CZ3-CE2 3.88Å; W259-F264 HydrophobicContact CZ3-CE2 3.88Å; F260-F264 AromaticContact CD1-CD2 3.7Å; F260-F264 HydrophobicContact CD1-CD2 3.7Å; F260-F264 AromaticContact CD1-CE2 3.75Å; F260-F264 HydrophobicContact CD1-CE2 3.75Å; F260-F264 HydrophobicContact CE1-CD2 4.4Å; F260-F264 HydrophobicContact CE1-CE2 4.01Å; F260-F264 WeakPolarHBondContact O-CB 3.49Å; F260-F264 PolarHBondContact O-N 2.94Å; F264-L266 HydrophobicContact CB-CD1 3.95Å; F264-L266 HydrophobicContact CB-CG 3.75Å; F264-L266 PolarHBondContact O-N 3.09Å; F264-L266 VanDerWaalsContact O-N 3.11Å |
| 265 | Q | 84.1 | Confident | 87.5 | Confident | 173 Ų | 173 | 94.5 Ų | 94.5 | 81% | 0.808 | 47% | 0.468 | S | S | * | . | trans | 53 | 32.3 | -177.1 | -63 | 173.6 | -5.3 | 0 | 0 | 112.2 | A261 E267 | A261-Q265 WeakPolarHBondContact O-CA 3.35Å; A261-Q265 PolarHBondContact O-N 3.46Å; Q265-E267 PolarHBondContact O-N 3.06Å | ||
| 266 | L | 79.6 | Confident | 87.6 | Confident | 59 Ų | 59 | 89.8 Ų | 89.8 | 31% | 0.309 | 44% | 0.439 | S | S | . | . | trans | -71.3 | 123.6 | 177.7 | -69.6 | 169.8 | 0 | 0 | 0 | 108.8 | F260 F264 L272 | F260-L266 HydrophobicContact CB-CD1 4.41Å; F264-L266 HydrophobicContact CB-CD1 3.95Å; F264-L266 HydrophobicContact CB-CG 3.75Å; F264-L266 PolarHBondContact O-N 3.09Å; F264-L266 VanDerWaalsContact O-N 3.11Å; L266-L272 HydrophobicContact CB-CB 4.3Å; L266-L272 HydrophobicContact CB-CD1 4.19Å; L266-L272 HydrophobicContact CD1-CD1 4.36Å | ||
| 267 | E | 84.2 | Confident | 87.6 | Confident | 174 Ų | 174 | 92.2 Ų | 92.2 | 81% | 0.813 | 46% | 0.456 | S | S | * | . | trans | -66.8 | 167.9 | 169.6 | -62.2 | -173.1 | 161.4 | 0 | 0 | 111.1 | Q265 G269 | Q265-E267 PolarHBondContact O-N 3.06Å; E267-G269 PolarHBondContact O-N 3.02Å | ||
| 268 | D | 81.2 | Confident | 87.7 | Confident | 122 Ų | 122 | 94.5 Ų | 94.5 | 65% | 0.652 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -66.7 | 76.8 | 175.9 | -83.2 | -41.5 | 0 | 0 | 0 | 111 | K257 | K257-D268 WeakPolarHBondContact CE-OD1 3.28Å; K257-D268 IonicContact NZ-OD1 2.74Å; K257-D268 PolarHBondContact NZ-OD1 3.04Å |
| 269 | G | 84.7 | Confident | 87.9 | Confident | 33 Ų | 33 | 87.6 Ų | 87.6 | 34% | 0.34 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -124.8 | 171.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E267 L271 L272 H273 | E267-G269 PolarHBondContact O-N 3.02Å; G269-L271 PolarHBondContact O-N 2.86Å; G269-L271 VanDerWaalsContact O-N 3.16Å; G269-L272 PolarHBondContact O-N 3.29Å; G269-L272 VanDerWaalsContact O-N 3.12Å; G269-H273 PolarHBondContact O-CD2 3.4Å; G269-H273 VanDerWaalsContact O-CD2 3.3Å; G269-H273 PolarHBondContact O-N 2.94Å |
| 270 | T | 87.6 | Confident | 88 | Confident | 108 Ų | 108 | 81 Ų | 81 | 66% | 0.663 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -55 | -36.7 | -177.5 | -48.6 | 0 | 0 | 0 | 0 | 112.7 | H273 M274 | T270-H273 PolarHBondContact O-N 2.8Å; T270-M274 HydrophobicContact CG2-CG 4.26Å; T270-M274 HydrophobicContact CG2-SD 3.99Å; T270-M274 WeakPolarHBondContact O-CB 3.13Å; T270-M274 VanDerWaalsContact O-CG 3.25Å; T270-M274 WeakPolarHBondContact O-CG 3.36Å; T270-M274 PolarHBondContact O-N 3.47Å |
| 271 | L | 88.8 | Confident | 88 | Confident | 121 Ų | 121 | 80 Ų | 80 | 63% | 0.634 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 179 | -67.6 | 178 | 0 | 0 | 0 | 112.8 | G269 H273 M274 C275 | G269-L271 PolarHBondContact O-N 2.86Å; G269-L271 VanDerWaalsContact O-N 3.16Å; L271-H273 PolarHBondContact O-N 3.27Å; L271-M274 PolarHBondContact O-N 3.49Å; L271-C275 PolarHBondContact O-N 3.16Å; L271-C275 PolarHBondContact O-SG 2.64Å; L271-C275 VanDerWaalsContact O-SG 3.39Å |
| 272 | L | 88.4 | Confident | 88 | Confident | 3 Ų | 3 | 83 Ų | 83 | 2% | 0.016 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 178.2 | 177.4 | 62.3 | 0 | 0 | 0 | 110.7 | K257 F260 A261 L266 G269 M274 C275 A276 | K257-L272 HydrophobicContact CG-CD1 4.32Å; K257-L272 HydrophobicContact CG-CD2 4.03Å; K257-L272 HydrophobicContact CG-CG 4.07Å; F260-L272 HydrophobicContact CB-CD1 3.51Å; A261-L272 HydrophobicContact CB-CD1 4.35Å; A261-L272 HydrophobicContact CB-CD2 4.26Å; L266-L272 HydrophobicContact CB-CB 4.3Å; L266-L272 HydrophobicContact CB-CD1 4.19Å; L266-L272 HydrophobicContact CD1-CD1 4.36Å; G269-L272 PolarHBondContact O-N 3.29Å; G269-L272 VanDerWaalsContact O-N 3.12Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M274 PolarHBondContact O-N 3.42Å; L272-C275 PolarHBondContact O-N 3.3Å; L272-A276 WeakPolarHBondContact O-CB 3.29Å; L272-A276 PolarHBondContact O-N 3.32Å |
| 273 | H | 88.6 | Confident | 88.1 | Confident | 69 Ų | 69 | 80 Ų | 80 | 32% | 0.319 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 177.8 | -70.4 | -73.1 | 0 | 0 | 0 | 112.3 | Y253 G269 T270 L271 S277 | Y253-H273 AromaticContact CZ-ND1 3.99Å; Y253-H273 PolarHBondContact OH-ND1 2.85Å; G269-H273 PolarHBondContact O-CD2 3.4Å; G269-H273 VanDerWaalsContact O-CD2 3.3Å; G269-H273 PolarHBondContact O-N 2.94Å; T270-H273 PolarHBondContact O-N 2.8Å; L271-H273 PolarHBondContact O-N 3.27Å; H273-S277 VanDerWaalsContact O-CB 3.24Å; H273-S277 WeakPolarHBondContact O-CB 3.42Å; H273-S277 PolarHBondContact O-N 3.03Å; H273-S277 PolarHBondContact O-OG 2.88Å |
| 274 | M | 89.5 | Confident | 88.2 | Confident | 99 Ų | 99 | 71.4 Ų | 71.4 | 49% | 0.488 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66 | -49.3 | 175.6 | -77 | 179.6 | 66.2 | 0 | 0 | 112.2 | T270 L271 L272 A276 S277 I278 | T270-M274 HydrophobicContact CG2-CG 4.26Å; T270-M274 HydrophobicContact CG2-SD 3.99Å; T270-M274 WeakPolarHBondContact O-CB 3.13Å; T270-M274 VanDerWaalsContact O-CG 3.25Å; T270-M274 WeakPolarHBondContact O-CG 3.36Å; T270-M274 PolarHBondContact O-N 3.47Å; L271-M274 PolarHBondContact O-N 3.49Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M274 PolarHBondContact O-N 3.42Å; M274-A276 PolarHBondContact O-N 3.35Å; M274-S277 PolarHBondContact O-N 3.12Å; M274-I278 VanDerWaalsContact O-CG1 3.28Å; M274-I278 WeakPolarHBondContact O-CG1 3.45Å; M274-I278 PolarHBondContact O-N 3.49Å |
| 275 | C | 91 | Very high | 88.3 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 30% | 0.304 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 178.4 | -69.6 | 0 | 0 | 0 | 0 | 112 | F260 L271 L272 T279 | F260-C275 HydrophobicContact CD1-CB 4.43Å; F260-C275 HydrophobicContact CD2-CB 3.99Å; F260-C275 HydrophobicContact CE1-CB 4.32Å; F260-C275 HydrophobicContact CE2-CB 3.9Å; F260-C275 HydrophobicContact CG-CB 4.3Å; F260-C275 HydrophobicContact CZ-CB 4.08Å; L271-C275 PolarHBondContact O-N 3.16Å; L271-C275 PolarHBondContact O-SG 2.64Å; L271-C275 VanDerWaalsContact O-SG 3.39Å; L272-C275 PolarHBondContact O-N 3.3Å; C275-T279 WeakPolarHBondContact O-CB 3.42Å; C275-T279 PolarHBondContact O-N 2.93Å; C275-T279 PolarHBondContact O-OG1 3Å |
| 276 | A | 90.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y253 S256 K257 L272 M274 T279 S280 | Y253-A276 HydrophobicContact CD2-CB 3.96Å; Y253-A276 HydrophobicContact CE2-CB 3.82Å; S256-A276 WeakPolarHBondContact OG-CA 3.46Å; S256-A276 PolarHBondContact OG-O 2.7Å; K257-A276 HydrophobicContact CB-CB 3.97Å; L272-A276 WeakPolarHBondContact O-CB 3.29Å; L272-A276 PolarHBondContact O-N 3.32Å; M274-A276 PolarHBondContact O-N 3.35Å; A276-T279 PolarHBondContact O-N 3.27Å; A276-S280 WeakPolarHBondContact O-CB 3.48Å; A276-S280 PolarHBondContact O-N 3.07Å; A276-S280 PolarHBondContact O-OG 3.4Å |
| 277 | S | 89.5 | Confident | 89.1 | Confident | 58 Ų | 58 | 61.4 Ų | 61.4 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | Y253 H273 M274 S280 G281 | Y253-S277 WeakPolarHBondContact CE2-OG 3.49Å; H273-S277 VanDerWaalsContact O-CB 3.24Å; H273-S277 WeakPolarHBondContact O-CB 3.42Å; H273-S277 PolarHBondContact O-N 3.03Å; H273-S277 PolarHBondContact O-OG 2.88Å; M274-S277 PolarHBondContact O-N 3.12Å; S277-S280 PolarHBondContact O-OG 2.72Å; S277-S280 VanDerWaalsContact O-OG 3.11Å; S277-G281 PolarHBondContact O-N 2.79Å |
| 278 | I | 91.3 | Very high | 89.4 | Confident | 102 Ų | 102 | 53.2 Ų | 53.2 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 177.4 | -69.3 | 165.8 | 0 | 0 | 0 | 110 | M274 F282 | M274-I278 VanDerWaalsContact O-CG1 3.28Å; M274-I278 WeakPolarHBondContact O-CG1 3.45Å; M274-I278 PolarHBondContact O-N 3.49Å; I278-F282 WeakPolarHBondContact O-CB 3.47Å; I278-F282 PolarHBondContact O-N 3.02Å |
| 279 | T | 91.4 | Very high | 89.9 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 179.7 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | T252 F260 C275 A276 F282 V283 | T252-T279 HydrophobicContact CG2-CG2 4.48Å; F260-T279 WeakPolarHBondContact CE2-OG1 3.24Å; C275-T279 WeakPolarHBondContact O-CB 3.42Å; C275-T279 PolarHBondContact O-N 2.93Å; C275-T279 PolarHBondContact O-OG1 3Å; A276-T279 PolarHBondContact O-N 3.27Å; T279-F282 PolarHBondContact O-N 2.9Å; T279-V283 WeakPolarHBondContact O-CG2 2.99Å; T279-V283 PolarHBondContact O-N 2.67Å |
| 280 | S | 91.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 47 Ų | 47 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 177.6 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | A276 S277 F282 V283 A284 | A276-S280 WeakPolarHBondContact O-CB 3.48Å; A276-S280 PolarHBondContact O-N 3.07Å; A276-S280 PolarHBondContact O-OG 3.4Å; S277-S280 PolarHBondContact O-OG 2.72Å; S277-S280 VanDerWaalsContact O-OG 3.11Å; S280-F282 VanDerWaalsContact C-N 3.32Å; S280-F282 PolarHBondContact O-N 3.07Å; S280-V283 PolarHBondContact O-N 3.4Å; S280-A284 WeakPolarHBondContact O-CB 3.36Å; S280-A284 PolarHBondContact O-N 2.89Å |
| 281 | G | 89.9 | Confident | 90.5 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S277 A285 | S277-G281 PolarHBondContact O-N 2.79Å; G281-A285 WeakPolarHBondContact O-CB 3.1Å; G281-A285 PolarHBondContact O-N 3.41Å |
| 282 | F | 91.3 | Very high | 90.7 | Very high | 95 Ų | 95 | 37.4 Ų | 37.4 | 42% | 0.417 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.6 | -50.7 | 175.7 | -179.2 | -98.5 | 0 | 0 | 0 | 112.2 | I278 T279 S280 A284 A285 V286 F339 W343 | I278-F282 WeakPolarHBondContact O-CB 3.47Å; I278-F282 PolarHBondContact O-N 3.02Å; T279-F282 PolarHBondContact O-N 2.9Å; S280-F282 VanDerWaalsContact C-N 3.32Å; S280-F282 PolarHBondContact O-N 3.07Å; F282-A284 VanDerWaalsContact C-N 3.34Å; F282-A284 PolarHBondContact O-N 2.88Å; F282-A285 WeakPolarHBondContact O-CB 3.14Å; F282-A285 PolarHBondContact O-N 2.92Å; F282-A285 VanDerWaalsContact O-N 3.15Å; F282-V286 HydrophobicContact CD1-CG2 4.28Å; F282-V286 HydrophobicContact CE1-CG2 3.89Å; F282-V286 HydrophobicContact CZ-CG2 4.05Å; F282-V286 WeakPolarHBondContact O-CG2 3.36Å; F282-V286 PolarHBondContact O-N 2.9Å; F282-F339 HydrophobicContact CD2-CZ 4.13Å; F282-F339 HydrophobicContact CE2-CE1 4.21Å; F282-F339 AromaticContact CE2-CZ 3.67Å; F282-F339 HydrophobicContact CE2-CZ 3.67Å; F282-F339 HydrophobicContact CZ-CZ 4.29Å; F282-W343 AromaticContact CD2-NE1 3.92Å |
| 283 | V | 90.5 | Very high | 90.9 | Very high | 46 Ų | 46 | 37.2 Ų | 37.2 | 28% | 0.279 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63 | -41.7 | 179 | 174.1 | 0 | 0 | 0 | 0 | 111 | T252 T279 S280 A285 V286 L287 | T252-V283 HydrophobicContact CG2-CB 3.81Å; T252-V283 HydrophobicContact CG2-CG1 4.17Å; T252-V283 HydrophobicContact CG2-CG2 3.79Å; T252-V283 WeakPolarHBondContact OG1-CG1 3.33Å; T279-V283 WeakPolarHBondContact O-CG2 2.99Å; T279-V283 PolarHBondContact O-N 2.67Å; S280-V283 PolarHBondContact O-N 3.4Å; V283-A285 VanDerWaalsContact C-N 3.3Å; V283-A285 PolarHBondContact O-N 2.7Å; V283-V286 PolarHBondContact O-N 2.88Å; V283-V286 VanDerWaalsContact O-N 3.13Å; V283-L287 HydrophobicContact CG1-CD1 3.96Å; V283-L287 HydrophobicContact CG1-CG 4.34Å; V283-L287 WeakPolarHBondContact O-CG 3.4Å; V283-L287 PolarHBondContact O-N 3.47Å |
| 284 | A | 90.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -37.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E249 S280 F282 G288 | E249-A284 HydrophobicContact CG-CB 3.45Å; E249-A284 VanDerWaalsContact CG-CB 3.45Å; S280-A284 WeakPolarHBondContact O-CB 3.36Å; S280-A284 PolarHBondContact O-N 2.89Å; F282-A284 VanDerWaalsContact C-N 3.34Å; F282-A284 PolarHBondContact O-N 2.88Å; A284-G288 WeakPolarHBondContact O-CA 3.09Å; A284-G288 PolarHBondContact O-N 3.15Å |
| 285 | A | 90.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G281 F282 V283 G288 T289 F339 I342 W343 | G281-A285 WeakPolarHBondContact O-CB 3.1Å; G281-A285 PolarHBondContact O-N 3.41Å; F282-A285 WeakPolarHBondContact O-CB 3.14Å; F282-A285 PolarHBondContact O-N 2.92Å; F282-A285 VanDerWaalsContact O-N 3.15Å; V283-A285 VanDerWaalsContact C-N 3.3Å; V283-A285 PolarHBondContact O-N 2.7Å; A285-G288 PolarHBondContact O-N 2.95Å; A285-T289 VanDerWaalsContact O-CB 3.27Å; A285-T289 WeakPolarHBondContact O-CB 3.11Å; A285-T289 PolarHBondContact O-N 3.47Å; A285-T289 PolarHBondContact O-OG1 2.92Å; A285-F339 HydrophobicContact CB-CE2 3.86Å; A285-I342 HydrophobicContact CB-CG2 4.33Å; A285-W343 HydrophobicContact CB-CB 4.2Å |
| 286 | V | 91.4 | Very high | 91.3 | Very high | 45 Ų | 45 | 29 Ų | 29 | 27% | 0.273 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.7 | 172 | 0 | 0 | 0 | 0 | 111.1 | F282 V283 P290 F339 | F282-V286 HydrophobicContact CD1-CG2 4.28Å; F282-V286 HydrophobicContact CE1-CG2 3.89Å; F282-V286 HydrophobicContact CZ-CG2 4.05Å; F282-V286 WeakPolarHBondContact O-CG2 3.36Å; F282-V286 PolarHBondContact O-N 2.9Å; V283-V286 PolarHBondContact O-N 2.88Å; V283-V286 VanDerWaalsContact O-N 3.13Å; V286-P290 WeakPolarHBondContact O-CD 3.33Å; V286-F339 HydrophobicContact CB-CE2 4.49Å; V286-F339 HydrophobicContact CG2-CE2 3.73Å; V286-F339 HydrophobicContact CG2-CZ 4.03Å |
| 287 | L | 88.7 | Confident | 91.4 | Very high | 98 Ų | 98 | 29 Ų | 29 | 51% | 0.513 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -74.2 | -34.8 | 179.2 | -64.3 | 177.2 | 0 | 0 | 0 | 112.7 | V283 | V283-L287 HydrophobicContact CG1-CD1 3.96Å; V283-L287 HydrophobicContact CG1-CG 4.34Å; V283-L287 WeakPolarHBondContact O-CG 3.4Å; V283-L287 PolarHBondContact O-N 3.47Å |
| 288 | G | 90.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -82 | -25.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A284 A285 A291 D292 | A284-G288 WeakPolarHBondContact O-CA 3.09Å; A284-G288 PolarHBondContact O-N 3.15Å; A285-G288 PolarHBondContact O-N 2.95Å; G288-A291 PolarHBondContact O-N 2.85Å; G288-D292 WeakPolarHBondContact O-CB 3.48Å; G288-D292 PolarHBondContact O-N 3.14Å |
| 289 | T | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | -174.2 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | A285 A291 D292 M293 L335 Y336 F339 I342 | A285-T289 VanDerWaalsContact O-CB 3.27Å; A285-T289 WeakPolarHBondContact O-CB 3.11Å; A285-T289 PolarHBondContact O-N 3.47Å; A285-T289 PolarHBondContact O-OG1 2.92Å; T289-A291 VanDerWaalsContact C-N 3.32Å; T289-A291 PolarHBondContact O-N 3.19Å; T289-D292 WeakPolarHBondContact O-CB 3.26Å; T289-D292 PolarHBondContact O-N 3.49Å; T289-M293 PolarHBondContact O-N 2.81Å; T289-L335 WeakPolarHBondContact CG2-O 3.47Å; T289-Y336 HydrophobicContact CG2-CD1 4.27Å; T289-F339 HydrophobicContact CG2-CB 4.11Å; T289-F339 WeakPolarHBondContact OG1-CD2 3.13Å; T289-I342 HydrophobicContact CG2-CD1 3.8Å; T289-I342 WeakPolarHBondContact OG1-CD1 3.45Å |
| 290 | P | 92.8 | Very high | 91.2 | Very high | 24 Ų | 24 | 20.1 Ų | 20.1 | 16% | 0.156 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.7 | -39.4 | 174.8 | -24.6 | 35.3 | 0 | 0 | 0 | 112.8 | V286 M293 I294 L335 Y336 | V286-P290 WeakPolarHBondContact O-CD 3.33Å; P290-M293 WeakPolarHBondContact O-CB 3.43Å; P290-M293 PolarHBondContact O-N 3.43Å; P290-I294 WeakPolarHBondContact O-CD1 3.45Å; P290-I294 WeakPolarHBondContact O-CG1 3.18Å; P290-I294 PolarHBondContact O-N 3.47Å; P290-L335 HydrophobicContact CB-CB 4.34Å; P290-Y336 HydrophobicContact CG-CE1 4.25Å; P290-Y336 HydrophobicContact CG-CE2 4.43Å |
| 291 | A | 92.7 | Very high | 90.8 | Very high | 19 Ų | 19 | 19.9 Ų | 19.9 | 16% | 0.157 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.1 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R241 L244 G288 T289 I294 K295 | R241-A291 HydrophobicContact CB-CB 4.22Å; R241-A291 HydrophobicContact CG-CB 4.4Å; L244-A291 HydrophobicContact CD1-CB 4.04Å; G288-A291 PolarHBondContact O-N 2.85Å; T289-A291 VanDerWaalsContact C-N 3.32Å; T289-A291 PolarHBondContact O-N 3.19Å; A291-I294 PolarHBondContact O-N 3.3Å; A291-K295 VanDerWaalsContact O-CB 3.28Å; A291-K295 WeakPolarHBondContact O-CB 3.21Å; A291-K295 PolarHBondContact O-N 2.91Å |
| 292 | D | 92.4 | Very high | 89.9 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.048 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 173 | -82.7 | -19.6 | 0 | 0 | 0 | 111.5 | K44 R241 G288 T289 K295 T296 I342 | K44-D292 IonicContact NZ-OD1 3.61Å; K44-D292 IonicContact NZ-OD2 2.86Å; K44-D292 PolarHBondContact NZ-OD2 3.15Å; R241-D292 WeakPolarHBondContact CD-OD1 3.24Å; R241-D292 WeakPolarHBondContact CG-OD1 3.16Å; R241-D292 IonicContact NH1-OD1 3.79Å; G288-D292 WeakPolarHBondContact O-CB 3.48Å; G288-D292 PolarHBondContact O-N 3.14Å; T289-D292 WeakPolarHBondContact O-CB 3.26Å; T289-D292 PolarHBondContact O-N 3.49Å; D292-K295 PolarHBondContact O-N 3.42Å; D292-T296 WeakPolarHBondContact O-CB 3.47Å; D292-T296 PolarHBondContact O-N 3.18Å; D292-T296 PolarHBondContact O-OG1 3.14Å; D292-I342 HydrophobicContact CB-CD1 4.23Å; D292-I342 WeakPolarHBondContact OD2-CD1 3.28Å |
| 293 | M | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.4 | -51.9 | 177.9 | 179.3 | 60.6 | 80.5 | 0 | 0 | 111.3 | Q48 T289 P290 K295 T296 R297 A334 L335 K337 | Q48-M293 HydrophobicContact CB-CE 3.94Å; Q48-M293 HydrophobicContact CB-SD 3.57Å; Q48-M293 VanDerWaalsContact CB-SD 3.57Å; Q48-M293 HydrophobicContact CG-CE 3.86Å; Q48-M293 HydrophobicContact CG-SD 3.97Å; T289-M293 PolarHBondContact O-N 2.81Å; P290-M293 WeakPolarHBondContact O-CB 3.43Å; P290-M293 PolarHBondContact O-N 3.43Å; M293-K295 PolarHBondContact O-N 3.07Å; M293-T296 PolarHBondContact O-N 3.15Å; M293-R297 WeakPolarHBondContact O-CG 3.16Å; M293-R297 PolarHBondContact O-N 2.96Å; M293-R297 VanDerWaalsContact O-N 3.07Å; M293-R297 HydrophobicContact SD-CG 4.39Å; M293-R297 PolarHBondContact SD-NE 3.21Å; M293-A334 WeakPolarHBondContact CE-O 3.36Å; M293-L335 HydrophobicContact CG-CD2 4.48Å; M293-K337 HydrophobicContact CE-CB 3.63Å; M293-K337 HydrophobicContact CE-CD 4.47Å; M293-K337 HydrophobicContact CE-CG 4.49Å |
| 294 | I | 93 | Very high | 86.5 | Confident | 13 Ų | 13 | 18 Ų | 18 | 7% | 0.067 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -44.5 | -178.9 | -64.7 | 161.7 | 0 | 0 | 0 | 110.4 | P290 A291 T296 R297 M298 V319 C322 F323 | P290-I294 WeakPolarHBondContact O-CD1 3.45Å; P290-I294 WeakPolarHBondContact O-CG1 3.18Å; P290-I294 PolarHBondContact O-N 3.47Å; A291-I294 PolarHBondContact O-N 3.3Å; I294-T296 PolarHBondContact O-N 3.42Å; I294-R297 PolarHBondContact O-N 2.89Å; I294-M298 HydrophobicContact CG2-CG 4.15Å; I294-M298 HydrophobicContact CG2-SD 3.79Å; I294-M298 VanDerWaalsContact O-CB 3.29Å; I294-M298 WeakPolarHBondContact O-CB 3.11Å; I294-M298 VanDerWaalsContact O-CG 3.29Å; I294-M298 WeakPolarHBondContact O-CG 3.35Å; I294-M298 PolarHBondContact O-N 2.99Å; I294-V319 HydrophobicContact CD1-CG1 4.32Å; I294-V319 HydrophobicContact CG2-CB 4.31Å; I294-V319 HydrophobicContact CG2-CG1 3.94Å; I294-V319 HydrophobicContact CG2-CG2 4.44Å; I294-C322 HydrophobicContact CG2-CB 3.97Å; I294-F323 HydrophobicContact CD1-CB 3.96Å; I294-F323 HydrophobicContact CD1-CD2 4.12Å |
| 295 | K | 92.9 | Very high | 84.6 | Confident | 22 Ų | 22 | 24 Ų | 24 | 10% | 0.096 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.3 | -54.7 | 174.9 | 172.4 | -168.9 | 164.9 | 177.1 | 0 | 110.8 | D177 P237 N238 A291 D292 M293 R297 M298 M299 | D177-K295 IonicContact OD2-NZ 3.65Å; P237-K295 HydrophobicContact CB-CB 4.25Å; N238-K295 HydrophobicContact CB-CD 4.3Å; N238-K295 WeakPolarHBondContact OD1-CE 3.25Å; N238-K295 PolarHBondContact OD1-NZ 3.11Å; A291-K295 VanDerWaalsContact O-CB 3.28Å; A291-K295 WeakPolarHBondContact O-CB 3.21Å; A291-K295 PolarHBondContact O-N 2.91Å; D292-K295 PolarHBondContact O-N 3.42Å; M293-K295 PolarHBondContact O-N 3.07Å; K295-R297 VanDerWaalsContact C-N 3.33Å; K295-R297 PolarHBondContact O-N 3.5Å; K295-M298 PolarHBondContact O-N 3.45Å; K295-M299 HydrophobicContact CD-SD 4.25Å; K295-M299 WeakPolarHBondContact CE-SD 3.42Å; K295-M299 HydrophobicContact CG-CG 4.38Å; K295-M299 HydrophobicContact CG-SD 3.75Å; K295-M299 WeakPolarHBondContact O-CB 3.27Å; K295-M299 WeakPolarHBondContact O-CG 3.22Å; K295-M299 PolarHBondContact O-N 2.86Å |
| 296 | T | 92.5 | Very high | 82.3 | Confident | 6 Ų | 6 | 29.5 Ų | 29.5 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | -174.3 | -56.9 | 0 | 0 | 0 | 0 | 111 | T45 Q48 V49 V181 D292 M293 I294 M299 N300 | T45-T296 HydrophobicContact CG2-CG2 4.04Å; Q48-T296 HydrophobicContact CB-CG2 4.35Å; Q48-T296 PolarHBondContact OE1-OG1 3.43Å; V49-T296 HydrophobicContact CG2-CG2 3.4Å; V49-T296 VanDerWaalsContact CG2-CG2 3.4Å; V181-T296 HydrophobicContact CG1-CG2 3.95Å; D292-T296 WeakPolarHBondContact O-CB 3.47Å; D292-T296 PolarHBondContact O-N 3.18Å; D292-T296 PolarHBondContact O-OG1 3.14Å; M293-T296 PolarHBondContact O-N 3.15Å; I294-T296 PolarHBondContact O-N 3.42Å; T296-M299 PolarHBondContact O-N 3.46Å; T296-N300 WeakPolarHBondContact O-CB 3.32Å; T296-N300 PolarHBondContact O-N 2.9Å |
| 297 | R | 91.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 175.3 | -69.8 | 176.7 | -178.2 | -139.7 | -12.4 | 112.4 | Q48 M293 I294 K295 M299 N300 Q301 Y316 T326 E330 | Q48-R297 PolarHBondContact O-NE 2.96Å; Q48-R297 PolarHBondContact O-NH2 3.2Å; M293-R297 WeakPolarHBondContact O-CG 3.16Å; M293-R297 PolarHBondContact O-N 2.96Å; M293-R297 VanDerWaalsContact O-N 3.07Å; M293-R297 HydrophobicContact SD-CG 4.39Å; M293-R297 PolarHBondContact SD-NE 3.21Å; I294-R297 PolarHBondContact O-N 2.89Å; K295-R297 VanDerWaalsContact C-N 3.33Å; K295-R297 PolarHBondContact O-N 3.5Å; R297-M299 VanDerWaalsContact C-N 3.32Å; R297-M299 PolarHBondContact O-N 3.19Å; R297-N300 PolarHBondContact O-N 3.43Å; R297-Q301 PolarHBondContact O-N 3.37Å; R297-Y316 HydrophobicContact CB-CE2 3.92Å; R297-T326 VanDerWaalsContact NH1-CG2 3.27Å; R297-T326 PolarHBondContact NH1-OG1 2.94Å; R297-E330 IonicContact CZ-OE1 2.74Å; R297-E330 IonicContact CZ-OE2 3.06Å; R297-E330 IonicContact NH1-OE1 2.74Å; R297-E330 PolarHBondContact NH1-OE1 3.04Å; R297-E330 IonicContact NH1-OE2 2.77Å; R297-E330 VanDerWaalsContact NH2-CD 3.26Å; R297-E330 IonicContact NH2-OE1 2.97Å; R297-E330 PolarHBondContact NH2-OE1 3.4Å; R297-E330 IonicContact NH2-OE2 3.23Å; R297-E330 PolarHBondContact NH2-OE2 3.49Å |
| 298 | M | 90.2 | Very high | 78.1 | Confident | 16 Ų | 16 | 30.6 Ų | 30.6 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -29.3 | 179.3 | -75.6 | -170.2 | 71.4 | 0 | 0 | 113.9 | P237 I294 K295 Q301 V319 C322 | P237-M298 HydrophobicContact CB-SD 4.43Å; P237-M298 HydrophobicContact CG-CB 4.46Å; P237-M298 HydrophobicContact CG-CE 3.91Å; P237-M298 HydrophobicContact CG-SD 3.55Å; P237-M298 VanDerWaalsContact CG-SD 3.55Å; I294-M298 HydrophobicContact CG2-CG 4.15Å; I294-M298 HydrophobicContact CG2-SD 3.79Å; I294-M298 VanDerWaalsContact O-CB 3.29Å; I294-M298 WeakPolarHBondContact O-CB 3.11Å; I294-M298 VanDerWaalsContact O-CG 3.29Å; I294-M298 WeakPolarHBondContact O-CG 3.35Å; I294-M298 PolarHBondContact O-N 2.99Å; K295-M298 PolarHBondContact O-N 3.45Å; M298-Q301 WeakPolarHBondContact O-CG 3.12Å; M298-Q301 PolarHBondContact O-NE2 3.41Å; M298-V319 HydrophobicContact CE-CG2 4.39Å; M298-V319 HydrophobicContact SD-CB 4.3Å; M298-V319 HydrophobicContact SD-CG2 3.74Å; M298-C322 HydrophobicContact CG-CB 4.1Å; M298-C322 HydrophobicContact SD-CB 4.41Å |
| 299 | M | 90 | Very high | 76.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -81.2 | -33.1 | 173 | -71.8 | -177 | 131.1 | 0 | 0 | 112 | D177 L178 V181 N238 K295 T296 R297 | D177-M299 HydrophobicContact CB-CE 3.64Å; D177-M299 HydrophobicContact CB-SD 4.35Å; L178-M299 HydrophobicContact CB-CE 4.1Å; L178-M299 HydrophobicContact CD1-CB 3.61Å; L178-M299 HydrophobicContact CD1-CG 3.98Å; L178-M299 WeakPolarHBondContact CD1-O 3.32Å; V181-M299 HydrophobicContact CB-CB 4.1Å; V181-M299 HydrophobicContact CG1-CB 3.95Å; V181-M299 HydrophobicContact CG2-CB 4.34Å; V181-M299 HydrophobicContact CG2-SD 4.05Å; N238-M299 HydrophobicContact CB-CE 4.24Å; K295-M299 HydrophobicContact CD-SD 4.25Å; K295-M299 WeakPolarHBondContact CE-SD 3.42Å; K295-M299 HydrophobicContact CG-CG 4.38Å; K295-M299 HydrophobicContact CG-SD 3.75Å; K295-M299 WeakPolarHBondContact O-CB 3.27Å; K295-M299 WeakPolarHBondContact O-CG 3.22Å; K295-M299 PolarHBondContact O-N 2.86Å; T296-M299 PolarHBondContact O-N 3.46Å; R297-M299 VanDerWaalsContact C-N 3.32Å; R297-M299 PolarHBondContact O-N 3.19Å |
| 300 | N | 88.9 | Confident | 74.2 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77.2 | -29 | -179.7 | 179.6 | 60.4 | 0 | 0 | 0 | 114.1 | V49 E52 V181 T185 R188 T296 R297 R302 | V49-N300 HydrophobicContact CG1-CB 4.18Å; V49-N300 WeakPolarHBondContact CG1-ND2 3.45Å; V49-N300 HydrophobicContact CG2-CB 4.36Å; E52-N300 PolarHBondContact OE2-ND2 3.44Å; V181-N300 HydrophobicContact CG1-CB 4.18Å; T185-N300 WeakPolarHBondContact CB-OD1 3.38Å; T185-N300 HydrophobicContact CG2-CB 4.21Å; T185-N300 PolarHBondContact OG1-OD1 3.01Å; R188-N300 PolarHBondContact NH2-ND2 3.02Å; T296-N300 WeakPolarHBondContact O-CB 3.32Å; T296-N300 PolarHBondContact O-N 2.9Å; R297-N300 PolarHBondContact O-N 3.43Å; N300-R302 PolarHBondContact O-N 3.44Å |
| 301 | Q | 82.2 | Confident | 72.4 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.028 | 29% | 0.288 | C | S | . | . | trans | -54.3 | 134.6 | -179.6 | 49 | 169.9 | -11.6 | 0 | 0 | 111.8 | R182 R233 R297 M298 L315 Y316 | R182-Q301 PolarHBondContact NH2-O 3.42Å; R233-Q301 VanDerWaalsContact NE-NE2 3.1Å; R233-Q301 VanDerWaalsContact NH2-CG 3.28Å; R297-Q301 PolarHBondContact O-N 3.37Å; M298-Q301 WeakPolarHBondContact O-CG 3.12Å; M298-Q301 PolarHBondContact O-NE2 3.41Å; Q301-L315 HydrophobicContact CB-CB 4.08Å; Q301-Y316 HydrophobicContact CB-CD2 4.37Å; Q301-Y316 HydrophobicContact CG-CD2 4.41Å; Q301-Y316 VanDerWaalsContact OE1-N 3.09Å; Q301-Y316 PolarHBondContact OE1-O 2.79Å | ||
| 302 | R | 70.8 | Confident | 70.6 | Confident | 46 Ų | 46 | 50 Ų | 50 | 17% | 0.174 | 30% | 0.303 | C | S | . | . | trans | -94.7 | 145.3 | 174.4 | -61.3 | -175.3 | -175.6 | -165 | 0.5 | 108.9 | N300 T304 | N300-R302 PolarHBondContact O-N 3.44Å; R302-T304 HydrophobicContact CB-CG2 4.16Å; R302-T304 PolarHBondContact O-N 2.73Å | ||
| 303 | T | 61.5 | Low | 69.3 | Low | 35 Ų | 35 | 49.9 Ų | 49.9 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | trans | -79.4 | 93.3 | 168 | -52.5 | 0 | 0 | 0 | 0 | 106.6 | R233 L314 | R233-T303 PolarHBondContact NH1-OG1 2.74Å; T303-L314 HydrophobicContact CG2-CD2 4.21Å | ||
| 304 | T | 50.1 | Low | 68.3 | Low | 32 Ų | 32 | 52.7 Ų | 52.7 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | trans | -107 | 115.8 | 171.6 | 54.3 | 0 | 0 | 0 | 0 | 107.2 | R302 S306 L307 G313 | R302-T304 HydrophobicContact CB-CG2 4.16Å; R302-T304 PolarHBondContact O-N 2.73Å; T304-S306 PolarHBondContact O-N 2.85Å; T304-S306 VanDerWaalsContact O-N 3.07Å; T304-L307 PolarHBondContact O-N 3.46Å; T304-L307 WeakPolarHBondContact OG1-CB 3.25Å; T304-G313 PolarHBondContact N-O 2.93Å; T304-G313 WeakPolarHBondContact O-CA 3.34Å | ||
| 305 | V | 49.4 | Very low | 67.6 | Low | 127 Ų | 127 | 54.2 Ų | 54.2 | 77% | 0.77 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -54.6 | -28.9 | 179.2 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 306 | S | 42.5 | Very low | 67.2 | Low | 118 Ų | 118 | 53.3 Ų | 53.3 | 83% | 0.825 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -85.9 | -6.9 | -173.6 | -104.8 | 0 | 0 | 0 | 0 | 117.7 | T304 | T304-S306 PolarHBondContact O-N 2.85Å; T304-S306 VanDerWaalsContact O-N 3.07Å |
| 307 | L | 48.1 | Very low | 66.9 | Low | 131 Ų | 131 | 57.1 Ų | 57.1 | 69% | 0.686 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -116.8 | 21.4 | -172 | -125.3 | 147.9 | 0 | 0 | 0 | 114.1 | T304 | T304-L307 PolarHBondContact O-N 3.46Å; T304-L307 WeakPolarHBondContact OG1-CB 3.25Å |
| 308 | S | 45 | Very low | 66.7 | Low | 35 Ų | 35 | 58.1 Ų | 58.1 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | trans | -100.4 | 126.4 | -179.1 | -170 | 0 | 0 | 0 | 0 | 112.8 | N310 G311 S312 G313 | S308-N310 PolarHBondContact OG-N 3.18Å; S308-G311 PolarHBondContact OG-N 3.15Å; S308-G311 VanDerWaalsContact OG-N 3.13Å; S308-S312 PolarHBondContact OG-N 2.72Å; S308-G313 PolarHBondContact OG-N 3.23Å | ||
| 309 | I | 52 | Low | 66.7 | Low | 170 Ų | 170 | 59.3 Ų | 59.3 | 87% | 0.872 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21 | 164.6 | -61.5 | 173 | 0 | 0 | 0 | 110.8 | ||
| 310 | N | 49 | Very low | 66.9 | Low | 134 Ų | 134 | 66 Ų | 66 | 72% | 0.717 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.5 | 22.6 | -168.5 | -74.6 | 0.7 | 0 | 0 | 0 | 114.6 | S308 S312 | S308-N310 PolarHBondContact OG-N 3.18Å; N310-S312 PolarHBondContact O-N 2.89Å |
| 311 | G | 53.4 | Low | 67 | Low | 80 Ų | 80 | 67.9 Ų | 67.9 | 83% | 0.825 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 69.9 | -12.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117 | S308 G313 | S308-G311 PolarHBondContact OG-N 3.15Å; S308-G311 VanDerWaalsContact OG-N 3.13Å; G311-G313 PolarHBondContact O-N 3.45Å |
| 312 | S | 55.2 | Low | 67.4 | Low | 68 Ų | 68 | 67.6 Ų | 67.6 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -82.5 | -4.7 | -177.7 | 61.6 | 0 | 0 | 0 | 0 | 115.4 | S308 N310 L314 | S308-S312 PolarHBondContact OG-N 2.72Å; N310-S312 PolarHBondContact O-N 2.89Å; S312-L314 WeakPolarHBondContact O-CG 3.42Å; S312-L314 PolarHBondContact O-N 3.41Å |
| 313 | G | 65.2 | Low | 68.5 | Low | 6 Ų | 6 | 69.4 Ų | 69.4 | 6% | 0.062 | 43% | 0.426 | C | S | . | . | trans | 62.7 | 3.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T304 S308 G311 | T304-G313 PolarHBondContact N-O 2.93Å; T304-G313 WeakPolarHBondContact O-CA 3.34Å; S308-G313 PolarHBondContact OG-N 3.23Å; G311-G313 PolarHBondContact O-N 3.45Å | ||
| 314 | L | 71.5 | Confident | 70.1 | Confident | 59 Ų | 59 | 76 Ų | 76 | 31% | 0.309 | 45% | 0.446 | S | S | . | . | trans | -101.5 | 137.3 | -179.8 | -50.1 | 179.4 | 0 | 0 | 0 | 111.2 | T303 S312 | T303-L314 HydrophobicContact CG2-CD2 4.21Å; S312-L314 WeakPolarHBondContact O-CG 3.42Å; S312-L314 PolarHBondContact O-N 3.41Å | ||
| 315 | L | 78.8 | Confident | 72 | Confident | 45 Ų | 45 | 77.1 Ų | 77.1 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -69.2 | -38.6 | 176.1 | -163.9 | 62.3 | 0 | 0 | 0 | 112.2 | E52 L53 Q301 K325 | E52-L315 HydrophobicContact CG-CD2 4.07Å; L53-L315 HydrophobicContact CD1-CD1 3.23Å; L53-L315 HydrophobicContact CD1-CD2 3.61Å; L53-L315 HydrophobicContact CD1-CG 3.38Å; L53-L315 HydrophobicContact CG-CD2 4.46Å; Q301-L315 HydrophobicContact CB-CB 4.08Å; L315-K325 PolarHBondContact O-NZ 2.97Å |
| 316 | Y | 84.3 | Confident | 74 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.008 | 41% | 0.412 | C | S | . | . | trans | -128 | 130.1 | 177.7 | -50.4 | -71 | 0 | 0 | 0 | 110.7 | E52 L53 R297 Q301 G318 D321 C322 K325 | E52-Y316 VanDerWaalsContact CG-OH 3.28Å; E52-Y316 WeakPolarHBondContact CG-OH 3.11Å; E52-Y316 VanDerWaalsContact OE1-CE2 3.25Å; E52-Y316 WeakPolarHBondContact OE1-CE2 3.47Å; E52-Y316 PolarHBondContact OE1-OH 2.87Å; L53-Y316 HydrophobicContact CD1-CE1 4.31Å; L53-Y316 HydrophobicContact CD2-CE1 4.13Å; L53-Y316 HydrophobicContact CG-CE1 4.49Å; R297-Y316 HydrophobicContact CB-CE2 3.92Å; Q301-Y316 HydrophobicContact CB-CD2 4.37Å; Q301-Y316 HydrophobicContact CG-CD2 4.41Å; Q301-Y316 VanDerWaalsContact OE1-N 3.09Å; Q301-Y316 PolarHBondContact OE1-O 2.79Å; Y316-G318 VanDerWaalsContact C-N 3.33Å; Y316-D321 WeakPolarHBondContact CA-OD2 3.33Å; Y316-C322 VanDerWaalsContact CD1-CA 3.4Å; Y316-C322 HydrophobicContact CD1-CB 3.71Å; Y316-C322 HydrophobicContact CD2-CB 4.41Å; Y316-C322 HydrophobicContact CE1-CB 4.24Å; Y316-C322 HydrophobicContact CG-CB 3.78Å; Y316-K325 HydrophobicContact CD1-CB 4.47Å; Y316-K325 HydrophobicContact CD1-CD 3.87Å; Y316-K325 HydrophobicContact CE1-CB 4.16Å; Y316-K325 HydrophobicContact CE1-CD 4.16Å | ||
| 317 | A | 84.8 | Confident | 76.4 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 72% | 0.719 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -74.6 | -24.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D321 | A317-D321 HydrophobicContact CB-CB 4.16Å; A317-D321 PolarHBondContact N-OD2 2.95Å |
| 318 | G | 87.6 | Confident | 78.4 | Confident | 21 Ų | 21 | 70.2 Ų | 70.2 | 22% | 0.216 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -178 | -173.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y316 I320 D321 C322 | Y316-G318 VanDerWaalsContact C-N 3.33Å; G318-I320 PolarHBondContact O-N 3.09Å; G318-D321 PolarHBondContact O-N 3.42Å; G318-C322 WeakPolarHBondContact O-CB 3.38Å; G318-C322 PolarHBondContact O-N 3.42Å |
| 319 | V | 91.2 | Very high | 80.5 | Confident | 40 Ų | 40 | 71 Ų | 71 | 24% | 0.242 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 179.9 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | P237 I294 M298 C322 F323 | P237-V319 HydrophobicContact CB-CG2 4.1Å; P237-V319 HydrophobicContact CG-CG2 3.66Å; I294-V319 HydrophobicContact CD1-CG1 4.32Å; I294-V319 HydrophobicContact CG2-CB 4.31Å; I294-V319 HydrophobicContact CG2-CG1 3.94Å; I294-V319 HydrophobicContact CG2-CG2 4.44Å; M298-V319 HydrophobicContact CE-CG2 4.39Å; M298-V319 HydrophobicContact SD-CB 4.3Å; M298-V319 HydrophobicContact SD-CG2 3.74Å; V319-C322 PolarHBondContact O-N 3.38Å; V319-F323 WeakPolarHBondContact O-CB 3.46Å; V319-F323 PolarHBondContact O-N 2.92Å |
| 320 | I | 92.4 | Very high | 82.1 | Confident | 141 Ų | 141 | 64.6 Ų | 64.6 | 72% | 0.723 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.1 | -41.3 | -177.3 | -59.4 | 171.3 | 0 | 0 | 0 | 111 | G318 F323 R324 | G318-I320 PolarHBondContact O-N 3.09Å; I320-F323 PolarHBondContact O-N 3.47Å; I320-R324 WeakPolarHBondContact O-CB 3.42Å; I320-R324 PolarHBondContact O-N 3.27Å |
| 321 | D | 91.3 | Very high | 84 | Confident | 42 Ų | 42 | 59.5 Ų | 59.5 | 23% | 0.225 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 176.5 | -178.2 | 45.5 | 0 | 0 | 0 | 111.4 | Y316 A317 G318 R324 K325 | Y316-D321 WeakPolarHBondContact CA-OD2 3.33Å; A317-D321 HydrophobicContact CB-CB 4.16Å; A317-D321 PolarHBondContact N-OD2 2.95Å; G318-D321 PolarHBondContact O-N 3.42Å; D321-R324 PolarHBondContact O-N 3.06Å; D321-K325 WeakPolarHBondContact O-CB 3.22Å; D321-K325 WeakPolarHBondContact O-CG 3.35Å; D321-K325 PolarHBondContact O-N 3.38Å; D321-K325 WeakPolarHBondContact OD1-CD 3.37Å; D321-K325 WeakPolarHBondContact OD1-CE 2.97Å; D321-K325 IonicContact OD1-NZ 3.96Å; D321-K325 PolarHBondContact OD1-NZ 2.94Å; D321-K325 WeakPolarHBondContact OD2-CE 3.29Å; D321-K325 IonicContact OD2-NZ 3.86Å; D321-K325 PolarHBondContact OD2-NZ 3.46Å |
| 322 | C | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 173.4 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | I294 M298 Y316 G318 V319 T326 | I294-C322 HydrophobicContact CG2-CB 3.97Å; M298-C322 HydrophobicContact CG-CB 4.1Å; M298-C322 HydrophobicContact SD-CB 4.41Å; Y316-C322 VanDerWaalsContact CD1-CA 3.4Å; Y316-C322 HydrophobicContact CD1-CB 3.71Å; Y316-C322 HydrophobicContact CD2-CB 4.41Å; Y316-C322 HydrophobicContact CE1-CB 4.24Å; Y316-C322 HydrophobicContact CG-CB 3.78Å; G318-C322 WeakPolarHBondContact O-CB 3.38Å; G318-C322 PolarHBondContact O-N 3.42Å; V319-C322 PolarHBondContact O-N 3.38Å; C322-T326 VanDerWaalsContact O-CB 3.26Å; C322-T326 WeakPolarHBondContact O-CB 3.47Å; C322-T326 PolarHBondContact O-N 3.5Å; C322-T326 PolarHBondContact O-OG1 2.86Å |
| 323 | F | 93.6 | Very high | 87.4 | Confident | 85 Ų | 85 | 62.8 Ų | 62.8 | 37% | 0.373 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.4 | -52.4 | 174.9 | 175.5 | -94.6 | 0 | 0 | 0 | 111.4 | I294 V319 I320 K325 T326 V327 L335 | I294-F323 HydrophobicContact CD1-CB 3.96Å; I294-F323 HydrophobicContact CD1-CD2 4.12Å; V319-F323 WeakPolarHBondContact O-CB 3.46Å; V319-F323 PolarHBondContact O-N 2.92Å; I320-F323 PolarHBondContact O-N 3.47Å; F323-K325 PolarHBondContact O-N 2.95Å; F323-T326 PolarHBondContact O-N 2.69Å; F323-V327 HydrophobicContact CD2-CG2 4.46Å; F323-V327 HydrophobicContact CE1-CG2 4.2Å; F323-V327 HydrophobicContact CE2-CG2 4.17Å; F323-V327 HydrophobicContact CZ-CG2 4.02Å; F323-V327 WeakPolarHBondContact O-CG2 3.32Å; F323-V327 PolarHBondContact O-N 3.2Å; F323-L335 HydrophobicContact CD2-CD1 3.95Å; F323-L335 HydrophobicContact CD2-CD2 4.04Å; F323-L335 HydrophobicContact CE2-CD1 3.42Å; F323-L335 VanDerWaalsContact CE2-CD1 3.42Å; F323-L335 HydrophobicContact CE2-CD2 4.36Å; F323-L335 HydrophobicContact CZ-CD1 4.27Å |
| 324 | R | 94.5 | Very high | 88.5 | Confident | 172 Ų | 172 | 62.5 Ų | 62.5 | 65% | 0.649 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.1 | -46.9 | -178.4 | -177.4 | 179.8 | 175.6 | 178.3 | -0.7 | 112 | I320 D321 V327 R328 | I320-R324 WeakPolarHBondContact O-CB 3.42Å; I320-R324 PolarHBondContact O-N 3.27Å; D321-R324 PolarHBondContact O-N 3.06Å; R324-V327 PolarHBondContact O-N 2.9Å; R324-R328 VanDerWaalsContact O-CB 3.25Å; R324-R328 WeakPolarHBondContact O-CB 3.34Å; R324-R328 PolarHBondContact O-N 3.01Å |
| 325 | K | 91.6 | Very high | 89.5 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 24% | 0.243 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 178.6 | -76.3 | 170.7 | 172.3 | 165.5 | 0 | 112.1 | L53 L315 Y316 D321 F323 N329 | L53-K325 HydrophobicContact CD2-CB 3.98Å; L315-K325 PolarHBondContact O-NZ 2.97Å; Y316-K325 HydrophobicContact CD1-CB 4.47Å; Y316-K325 HydrophobicContact CD1-CD 3.87Å; Y316-K325 HydrophobicContact CE1-CB 4.16Å; Y316-K325 HydrophobicContact CE1-CD 4.16Å; D321-K325 WeakPolarHBondContact O-CB 3.22Å; D321-K325 WeakPolarHBondContact O-CG 3.35Å; D321-K325 PolarHBondContact O-N 3.38Å; D321-K325 WeakPolarHBondContact OD1-CD 3.37Å; D321-K325 WeakPolarHBondContact OD1-CE 2.97Å; D321-K325 IonicContact OD1-NZ 3.96Å; D321-K325 PolarHBondContact OD1-NZ 2.94Å; D321-K325 WeakPolarHBondContact OD2-CE 3.29Å; D321-K325 IonicContact OD2-NZ 3.86Å; D321-K325 PolarHBondContact OD2-NZ 3.46Å; F323-K325 PolarHBondContact O-N 2.95Å; K325-N329 VanDerWaalsContact O-CB 3.29Å; K325-N329 WeakPolarHBondContact O-CB 3.3Å; K325-N329 PolarHBondContact O-N 2.92Å |
| 326 | T | 90.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -51.2 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | R297 C322 F323 R328 E330 G331 A334 L335 | R297-T326 VanDerWaalsContact NH1-CG2 3.27Å; R297-T326 PolarHBondContact NH1-OG1 2.94Å; C322-T326 VanDerWaalsContact O-CB 3.26Å; C322-T326 WeakPolarHBondContact O-CB 3.47Å; C322-T326 PolarHBondContact O-N 3.5Å; C322-T326 PolarHBondContact O-OG1 2.86Å; F323-T326 PolarHBondContact O-N 2.69Å; T326-R328 VanDerWaalsContact C-N 3.34Å; T326-R328 PolarHBondContact O-N 3.38Å; T326-E330 WeakPolarHBondContact O-CB 3.3Å; T326-E330 PolarHBondContact O-N 3.48Å; T326-G331 PolarHBondContact O-N 3.21Å; T326-A334 HydrophobicContact CG2-CB 3.98Å; T326-L335 HydrophobicContact CG2-CD2 3.92Å; T326-L335 HydrophobicContact CG2-CG 4.42Å |
| 327 | V | 92.2 | Very high | 90.4 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 28% | 0.279 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 179.7 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | F323 R324 G331 L335 | F323-V327 HydrophobicContact CD2-CG2 4.46Å; F323-V327 HydrophobicContact CE1-CG2 4.2Å; F323-V327 HydrophobicContact CE2-CG2 4.17Å; F323-V327 HydrophobicContact CZ-CG2 4.02Å; F323-V327 WeakPolarHBondContact O-CG2 3.32Å; F323-V327 PolarHBondContact O-N 3.2Å; R324-V327 PolarHBondContact O-N 2.9Å; V327-G331 WeakPolarHBondContact O-CA 3.46Å; V327-G331 PolarHBondContact O-N 2.95Å; V327-G331 VanDerWaalsContact O-N 3.08Å; V327-L335 HydrophobicContact CG2-CD1 3.82Å; V327-L335 HydrophobicContact CG2-CG 4.35Å |
| 328 | R | 90.4 | Very high | 90.5 | Very high | 185 Ų | 185 | 58.4 Ų | 58.4 | 70% | 0.698 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.9 | -42 | -179.6 | -169.6 | 176 | 85.7 | 167.7 | 5.5 | 113.2 | R324 T326 | R324-R328 VanDerWaalsContact O-CB 3.25Å; R324-R328 WeakPolarHBondContact O-CB 3.34Å; R324-R328 PolarHBondContact O-N 3.01Å; T326-R328 VanDerWaalsContact C-N 3.34Å; T326-R328 PolarHBondContact O-N 3.38Å |
| 329 | N | 88.2 | Confident | 90.7 | Very high | 53 Ų | 53 | 59.7 Ų | 59.7 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -95.2 | -28.8 | -170.7 | -63.9 | -4.4 | 0 | 0 | 0 | 113.3 | L53 K325 | L53-N329 WeakPolarHBondContact CD2-ND2 3.14Å; K325-N329 VanDerWaalsContact O-CB 3.29Å; K325-N329 WeakPolarHBondContact O-CB 3.3Å; K325-N329 PolarHBondContact O-N 2.92Å |
| 330 | E | 86.6 | Confident | 90.6 | Very high | 35 Ų | 35 | 63.8 Ų | 63.8 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -118.7 | -10.1 | -176.4 | -62 | 175.7 | -131.2 | 0 | 0 | 113.4 | L53 R297 T326 A334 K337 | L53-E330 PolarHBondContact N-OE1 3.34Å; R297-E330 IonicContact CZ-OE1 2.74Å; R297-E330 IonicContact CZ-OE2 3.06Å; R297-E330 IonicContact NH1-OE1 2.74Å; R297-E330 PolarHBondContact NH1-OE1 3.04Å; R297-E330 IonicContact NH1-OE2 2.77Å; R297-E330 VanDerWaalsContact NH2-CD 3.26Å; R297-E330 IonicContact NH2-OE1 2.97Å; R297-E330 PolarHBondContact NH2-OE1 3.4Å; R297-E330 IonicContact NH2-OE2 3.23Å; R297-E330 PolarHBondContact NH2-OE2 3.49Å; T326-E330 WeakPolarHBondContact O-CB 3.3Å; T326-E330 PolarHBondContact O-N 3.48Å; E330-A334 HydrophobicContact CB-CB 3.47Å; E330-A334 VanDerWaalsContact CB-CB 3.47Å; E330-K337 IonicContact OE2-NZ 3.32Å; E330-K337 PolarHBondContact OE2-NZ 3.14Å |
| 331 | G | 88.9 | Confident | 90.4 | Very high | 27 Ų | 27 | 57.6 Ų | 57.6 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | trans | 86.7 | 170.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T326 V327 S333 A334 | T326-G331 PolarHBondContact O-N 3.21Å; V327-G331 WeakPolarHBondContact O-CA 3.46Å; V327-G331 PolarHBondContact O-N 2.95Å; V327-G331 VanDerWaalsContact O-N 3.08Å; G331-S333 PolarHBondContact O-N 2.89Å; G331-A334 VanDerWaalsContact O-CB 3.28Å; G331-A334 WeakPolarHBondContact O-CB 3.4Å; G331-A334 PolarHBondContact O-N 2.87Å | ||
| 332 | F | 90.5 | Very high | 90.3 | Very high | 123 Ų | 123 | 55.9 Ų | 55.9 | 54% | 0.539 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -66.5 | -34.6 | -177 | -176.2 | -100.5 | 0 | 0 | 0 | 113.3 | A334 L335 Y336 | F332-A334 PolarHBondContact O-N 2.77Å; F332-L335 HydrophobicContact CD2-CD1 4.03Å; F332-L335 HydrophobicContact CE2-CD1 4.06Å; F332-L335 WeakPolarHBondContact O-CB 3.31Å; F332-L335 PolarHBondContact O-N 2.9Å; F332-Y336 HydrophobicContact CE1-CD2 4.42Å; F332-Y336 AromaticContact CE1-CE2 3.76Å; F332-Y336 HydrophobicContact CE1-CE2 3.76Å; F332-Y336 AromaticContact CZ-CE2 3.96Å; F332-Y336 HydrophobicContact CZ-CE2 3.96Å |
| 333 | S | 89 | Confident | 90.1 | Very high | 93 Ų | 93 | 60.7 Ų | 60.7 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -63.4 | -21.9 | 178.8 | 60.1 | 0 | 0 | 0 | 0 | 113 | G331 L335 Y336 | G331-S333 PolarHBondContact O-N 2.89Å; S333-L335 PolarHBondContact O-N 3.49Å; S333-Y336 PolarHBondContact O-N 3.02Å; S333-Y336 VanDerWaalsContact O-N 3.1Å |
| 334 | A | 89.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -59.7 | -34.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M293 T326 E330 G331 F332 Y336 K337 | M293-A334 WeakPolarHBondContact CE-O 3.36Å; T326-A334 HydrophobicContact CG2-CB 3.98Å; E330-A334 HydrophobicContact CB-CB 3.47Å; E330-A334 VanDerWaalsContact CB-CB 3.47Å; G331-A334 VanDerWaalsContact O-CB 3.28Å; G331-A334 WeakPolarHBondContact O-CB 3.4Å; G331-A334 PolarHBondContact O-N 2.87Å; F332-A334 PolarHBondContact O-N 2.77Å; A334-Y336 PolarHBondContact O-N 2.76Å; A334-Y336 VanDerWaalsContact O-N 3.14Å; A334-K337 HydrophobicContact CB-CD 4.44Å; A334-K337 WeakPolarHBondContact O-CB 3.27Å; A334-K337 WeakPolarHBondContact O-CG 3.46Å; A334-K337 PolarHBondContact O-N 2.91Å; A334-K337 VanDerWaalsContact O-N 3.1Å |
| 335 | L | 92.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -60.8 | -25 | 178.8 | -65.5 | 170.4 | 0 | 0 | 0 | 112.9 | T289 P290 M293 F323 T326 V327 F332 S333 | T289-L335 WeakPolarHBondContact CG2-O 3.47Å; P290-L335 HydrophobicContact CB-CB 4.34Å; M293-L335 HydrophobicContact CG-CD2 4.48Å; F323-L335 HydrophobicContact CD2-CD1 3.95Å; F323-L335 HydrophobicContact CD2-CD2 4.04Å; F323-L335 HydrophobicContact CE2-CD1 3.42Å; F323-L335 VanDerWaalsContact CE2-CD1 3.42Å; F323-L335 HydrophobicContact CE2-CD2 4.36Å; F323-L335 HydrophobicContact CZ-CD1 4.27Å; T326-L335 HydrophobicContact CG2-CD2 3.92Å; T326-L335 HydrophobicContact CG2-CG 4.42Å; V327-L335 HydrophobicContact CG2-CD1 3.82Å; V327-L335 HydrophobicContact CG2-CG 4.35Å; F332-L335 HydrophobicContact CD2-CD1 4.03Å; F332-L335 HydrophobicContact CE2-CD1 4.06Å; F332-L335 WeakPolarHBondContact O-CB 3.31Å; F332-L335 PolarHBondContact O-N 2.9Å; S333-L335 PolarHBondContact O-N 3.49Å |
| 336 | Y | 92.8 | Very high | 89.1 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -99.9 | 6 | -178.8 | -67.8 | -86.9 | 0 | 0 | 0 | 113.6 | T289 P290 F332 S333 A334 G338 F339 | T289-Y336 HydrophobicContact CG2-CD1 4.27Å; P290-Y336 HydrophobicContact CG-CE1 4.25Å; P290-Y336 HydrophobicContact CG-CE2 4.43Å; F332-Y336 HydrophobicContact CE1-CD2 4.42Å; F332-Y336 AromaticContact CE1-CE2 3.76Å; F332-Y336 HydrophobicContact CE1-CE2 3.76Å; F332-Y336 AromaticContact CZ-CE2 3.96Å; F332-Y336 HydrophobicContact CZ-CE2 3.96Å; S333-Y336 PolarHBondContact O-N 3.02Å; S333-Y336 VanDerWaalsContact O-N 3.1Å; A334-Y336 PolarHBondContact O-N 2.76Å; A334-Y336 VanDerWaalsContact O-N 3.14Å; Y336-G338 PolarHBondContact O-N 2.73Å; Y336-G338 VanDerWaalsContact O-N 3.17Å; Y336-F339 HydrophobicContact CD1-CD2 4.44Å; Y336-F339 VanDerWaalsContact O-CB 3.23Å; Y336-F339 WeakPolarHBondContact O-CB 3.25Å; Y336-F339 PolarHBondContact O-N 2.65Å |
| 337 | K | 89.3 | Confident | 88.9 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 123.7 | 172 | -69.7 | 169.5 | 176.4 | 175.1 | 0 | 109.2 | I47 Y50 Y58 M293 E330 A334 | I47-K337 HydrophobicContact CG2-CB 3.86Å; Y50-K337 PolarHBondContact O-NZ 3.23Å; Y58-K337 HydrophobicContact CD2-CD 3.96Å; Y58-K337 HydrophobicContact CD2-CG 4.25Å; Y58-K337 HydrophobicContact CE2-CD 4.12Å; Y58-K337 HydrophobicContact CE2-CG 4.11Å; M293-K337 HydrophobicContact CE-CB 3.63Å; M293-K337 HydrophobicContact CE-CD 4.47Å; M293-K337 HydrophobicContact CE-CG 4.49Å; E330-K337 IonicContact OE2-NZ 3.32Å; E330-K337 PolarHBondContact OE2-NZ 3.14Å; A334-K337 HydrophobicContact CB-CD 4.44Å; A334-K337 WeakPolarHBondContact O-CB 3.27Å; A334-K337 WeakPolarHBondContact O-CG 3.46Å; A334-K337 PolarHBondContact O-N 2.91Å; A334-K337 VanDerWaalsContact O-N 3.1Å |
| 338 | G | 87.3 | Confident | 88.8 | Confident | 5 Ų | 5 | 55 Ų | 55 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 3.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y336 F340 L341 I342 | Y336-G338 PolarHBondContact O-N 2.73Å; Y336-G338 VanDerWaalsContact O-N 3.17Å; G338-F340 VanDerWaalsContact C-N 3.27Å; G338-F340 PolarHBondContact O-N 3.31Å; G338-L341 PolarHBondContact O-N 3.4Å; G338-I342 PolarHBondContact O-N 3.3Å |
| 339 | F | 91 | Very high | 88.8 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 21% | 0.211 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -46.5 | -51.3 | 172.8 | 170.9 | -100.1 | 0 | 0 | 0 | 112.1 | F282 A285 V286 T289 Y336 L341 I342 W343 | F282-F339 HydrophobicContact CD2-CZ 4.13Å; F282-F339 HydrophobicContact CE2-CE1 4.21Å; F282-F339 AromaticContact CE2-CZ 3.67Å; F282-F339 HydrophobicContact CE2-CZ 3.67Å; F282-F339 HydrophobicContact CZ-CZ 4.29Å; A285-F339 HydrophobicContact CB-CE2 3.86Å; V286-F339 HydrophobicContact CB-CE2 4.49Å; V286-F339 HydrophobicContact CG2-CE2 3.73Å; V286-F339 HydrophobicContact CG2-CZ 4.03Å; T289-F339 HydrophobicContact CG2-CB 4.11Å; T289-F339 WeakPolarHBondContact OG1-CD2 3.13Å; Y336-F339 HydrophobicContact CD1-CD2 4.44Å; Y336-F339 VanDerWaalsContact O-CB 3.23Å; Y336-F339 WeakPolarHBondContact O-CB 3.25Å; Y336-F339 PolarHBondContact O-N 2.65Å; F339-L341 VanDerWaalsContact C-N 3.27Å; F339-L341 PolarHBondContact O-N 2.81Å; F339-I342 WeakPolarHBondContact O-CB 3.02Å; F339-I342 PolarHBondContact O-N 3.39Å; F339-W343 PolarHBondContact O-N 3.15Å |
| 340 | F | 89 | Confident | 88.8 | Confident | 125 Ų | 125 | 49.1 Ų | 49.1 | 55% | 0.548 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.3 | -39.2 | -179.7 | 179.8 | -101.5 | 0 | 0 | 0 | 112.3 | G338 A344 | G338-F340 VanDerWaalsContact C-N 3.27Å; G338-F340 PolarHBondContact O-N 3.31Å; F340-A344 HydrophobicContact CE1-CB 4.25Å; F340-A344 HydrophobicContact CZ-CB 4.29Å; F340-A344 WeakPolarHBondContact O-CB 3.43Å; F340-A344 PolarHBondContact O-N 3.36Å |
| 341 | L | 89.1 | Confident | 89 | Confident | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.2 | -32.6 | 178.2 | -65.9 | 174.8 | 0 | 0 | 0 | 112.3 | L40 L43 K44 I47 V61 G338 F339 R345 | L40-L341 HydrophobicContact CD2-CD2 4.03Å; L43-L341 HydrophobicContact CB-CD1 3.96Å; K44-L341 HydrophobicContact CB-CB 4.21Å; K44-L341 HydrophobicContact CB-CD1 4.32Å; I47-L341 HydrophobicContact CD1-CD1 3.49Å; I47-L341 VanDerWaalsContact CD1-CD1 3.49Å; V61-L341 HydrophobicContact CG1-CD1 4.41Å; G338-L341 PolarHBondContact O-N 3.4Å; F339-L341 VanDerWaalsContact C-N 3.27Å; F339-L341 PolarHBondContact O-N 2.81Å; L341-R345 WeakPolarHBondContact O-CB 3.37Å; L341-R345 PolarHBondContact O-N 2.86Å; L341-R345 VanDerWaalsContact O-N 3.15Å |
| 342 | I | 89.2 | Confident | 89.2 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -51.2 | 174.7 | -66.4 | 165 | 0 | 0 | 0 | 109.8 | K44 A285 T289 D292 G338 F339 R345 M346 | K44-I342 HydrophobicContact CD-CD1 4.39Å; K44-I342 HydrophobicContact CD-CG1 3.65Å; K44-I342 HydrophobicContact CG-CG1 4.17Å; A285-I342 HydrophobicContact CB-CG2 4.33Å; T289-I342 HydrophobicContact CG2-CD1 3.8Å; T289-I342 WeakPolarHBondContact OG1-CD1 3.45Å; D292-I342 HydrophobicContact CB-CD1 4.23Å; D292-I342 WeakPolarHBondContact OD2-CD1 3.28Å; G338-I342 PolarHBondContact O-N 3.3Å; F339-I342 WeakPolarHBondContact O-CB 3.02Å; F339-I342 PolarHBondContact O-N 3.39Å; I342-R345 PolarHBondContact O-N 3.41Å; I342-M346 PolarHBondContact O-N 3.41Å |
| 343 | W | 87.5 | Confident | 89.2 | Confident | 101 Ų | 101 | 48.5 Ų | 48.5 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.4 | -48.5 | -178.5 | -177.7 | 69 | 0 | 0 | 0 | 111.9 | F282 A285 F339 R345 M346 | F282-W343 AromaticContact CD2-NE1 3.92Å; A285-W343 HydrophobicContact CB-CB 4.2Å; F339-W343 PolarHBondContact O-N 3.15Å; W343-R345 PolarHBondContact O-N 3.43Å; W343-M346 WeakPolarHBondContact O-CB 3.22Å; W343-M346 PolarHBondContact O-N 2.93Å; W343-M346 VanDerWaalsContact O-N 3.11Å |
| 344 | A | 85.7 | Confident | 89.3 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 26% | 0.264 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.9 | -24.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | F340 P348 | F340-A344 HydrophobicContact CE1-CB 4.25Å; F340-A344 HydrophobicContact CZ-CB 4.29Å; F340-A344 WeakPolarHBondContact O-CB 3.43Å; F340-A344 PolarHBondContact O-N 3.36Å; A344-P348 WeakPolarHBondContact O-CD 3.47Å; A344-P348 WeakPolarHBondContact O-CG 3.3Å |
| 345 | R | 86.5 | Confident | 89.3 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 18% | 0.181 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -78.1 | -26.8 | 176.8 | -174.5 | -169.1 | 68.5 | 91 | 12 | 113.2 | L40 D41 L341 I342 W343 A347 P348 W349 | L40-R345 HydrophobicContact CB-CB 4.4Å; L40-R345 HydrophobicContact CB-CG 4.28Å; L40-R345 HydrophobicContact CD1-CB 4.02Å; L40-R345 HydrophobicContact CD1-CG 4.17Å; D41-R345 WeakPolarHBondContact OD1-CD 3.41Å; D41-R345 IonicContact OD1-CZ 3.4Å; D41-R345 IonicContact OD1-NE 3.88Å; D41-R345 PolarHBondContact OD1-NE 3.37Å; D41-R345 IonicContact OD1-NH1 2.69Å; L341-R345 WeakPolarHBondContact O-CB 3.37Å; L341-R345 PolarHBondContact O-N 2.86Å; L341-R345 VanDerWaalsContact O-N 3.15Å; I342-R345 PolarHBondContact O-N 3.41Å; W343-R345 PolarHBondContact O-N 3.43Å; R345-A347 PolarHBondContact O-N 2.74Å; R345-P348 WeakPolarHBondContact O-CD 3.45Å; R345-W349 VanDerWaalsContact O-CB 3.23Å; R345-W349 WeakPolarHBondContact O-CB 3.22Å; R345-W349 PolarHBondContact O-N 2.9Å; R345-W349 VanDerWaalsContact O-N 3.08Å |
| 346 | M | 85.3 | Confident | 89.2 | Confident | 37 Ų | 37 | 55 Ų | 55 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | -175.7 | -76.1 | 178.5 | 158.4 | 0 | 0 | 112.1 | I342 W343 S350 | I342-M346 PolarHBondContact O-N 3.41Å; W343-M346 WeakPolarHBondContact O-CB 3.22Å; W343-M346 PolarHBondContact O-N 2.93Å; W343-M346 VanDerWaalsContact O-N 3.11Å; M346-S350 WeakPolarHBondContact O-CB 3.48Å; M346-S350 PolarHBondContact O-N 2.86Å; M346-S350 PolarHBondContact O-OG 2.91Å; M346-S350 VanDerWaalsContact O-OG 3.07Å |
| 347 | A | 87.2 | Confident | 89 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 59% | 0.587 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.8 | -50.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R345 W349 S350 L351 | R345-A347 PolarHBondContact O-N 2.74Å; A347-W349 VanDerWaalsContact C-N 3.33Å; A347-W349 PolarHBondContact O-N 3.17Å; A347-S350 PolarHBondContact O-N 3.2Å; A347-L351 VanDerWaalsContact O-CB 3.27Å; A347-L351 WeakPolarHBondContact O-CB 3.34Å; A347-L351 PolarHBondContact O-N 3.35Å |
| 348 | P | 89.6 | Confident | 88.8 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 34% | 0.344 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 177 | -24.9 | 34.7 | 0 | 0 | 0 | 113.4 | T37 A344 R345 T352 | T37-P348 HydrophobicContact CG2-CB 4.14Å; A344-P348 WeakPolarHBondContact O-CD 3.47Å; A344-P348 WeakPolarHBondContact O-CG 3.3Å; R345-P348 WeakPolarHBondContact O-CD 3.45Å; P348-T352 VanDerWaalsContact O-CB 3.3Å; P348-T352 WeakPolarHBondContact O-CB 3.13Å; P348-T352 PolarHBondContact O-N 2.88Å; P348-T352 PolarHBondContact O-OG1 2.7Å |
| 349 | W | 91.7 | Very high | 88.8 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.1 | -50.5 | 178.5 | -176.5 | 89.1 | 0 | 0 | 0 | 110.9 | T37 R345 A347 L351 T352 F353 | T37-W349 HydrophobicContact CG2-CB 4.05Å; R345-W349 VanDerWaalsContact O-CB 3.23Å; R345-W349 WeakPolarHBondContact O-CB 3.22Å; R345-W349 PolarHBondContact O-N 2.9Å; R345-W349 VanDerWaalsContact O-N 3.08Å; A347-W349 VanDerWaalsContact C-N 3.33Å; A347-W349 PolarHBondContact O-N 3.17Å; W349-L351 PolarHBondContact O-N 3.08Å; W349-T352 PolarHBondContact O-N 3.5Å; W349-F353 VanDerWaalsContact O-CB 3.32Å; W349-F353 WeakPolarHBondContact O-CB 3.23Å; W349-F353 PolarHBondContact O-N 3.49Å |
| 350 | S | 88.4 | Confident | 88.6 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 179.6 | -66.8 | 0 | 0 | 0 | 0 | 112 | M346 A347 F353 W354 | M346-S350 WeakPolarHBondContact O-CB 3.48Å; M346-S350 PolarHBondContact O-N 2.86Å; M346-S350 PolarHBondContact O-OG 2.91Å; M346-S350 VanDerWaalsContact O-OG 3.07Å; A347-S350 PolarHBondContact O-N 3.2Å; S350-F353 PolarHBondContact O-N 2.86Å; S350-W354 PolarHBondContact O-N 2.77Å |
| 351 | L | 90.5 | Very high | 88.1 | Confident | 117 Ų | 117 | 55.4 Ų | 55.4 | 61% | 0.613 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.2 | -49.5 | 178.6 | 180 | 65.7 | 0 | 0 | 0 | 111.2 | A347 W349 F353 W354 V355 | A347-L351 VanDerWaalsContact O-CB 3.27Å; A347-L351 WeakPolarHBondContact O-CB 3.34Å; A347-L351 PolarHBondContact O-N 3.35Å; W349-L351 PolarHBondContact O-N 3.08Å; L351-F353 VanDerWaalsContact C-N 3.27Å; L351-F353 PolarHBondContact O-N 3.2Å; L351-W354 PolarHBondContact O-N 3.45Å; L351-V355 HydrophobicContact CD1-CG2 3.93Å; L351-V355 HydrophobicContact CG-CG2 4.36Å; L351-V355 WeakPolarHBondContact O-CB 3.2Å; L351-V355 VanDerWaalsContact O-CG2 3.26Å; L351-V355 WeakPolarHBondContact O-CG2 3.18Å; L351-V355 PolarHBondContact O-N 2.89Å |
| 352 | T | 91.9 | Very high | 87.8 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 16% | 0.16 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 179.6 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | S33 I36 P348 W349 T356 | S33-T352 VanDerWaalsContact OG-C 3.26Å; I36-T352 HydrophobicContact CD1-CG2 3.71Å; P348-T352 VanDerWaalsContact O-CB 3.3Å; P348-T352 WeakPolarHBondContact O-CB 3.13Å; P348-T352 PolarHBondContact O-N 2.88Å; P348-T352 PolarHBondContact O-OG1 2.7Å; W349-T352 PolarHBondContact O-N 3.5Å; T352-T356 WeakPolarHBondContact O-CB 3.29Å; T352-T356 PolarHBondContact O-N 3.35Å; T352-T356 PolarHBondContact O-OG1 3.48Å |
| 353 | F | 92 | Very high | 87.3 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 13% | 0.127 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -52.8 | 179.6 | 177.9 | -94.2 | 0 | 0 | 0 | 111.2 | A29 A30 S33 W349 S350 L351 T356 Y357 | A29-F353 HydrophobicContact CB-CD2 3.91Å; A29-F353 HydrophobicContact CB-CE2 3.87Å; A30-F353 HydrophobicContact CB-CD2 4.33Å; A30-F353 HydrophobicContact CB-CE2 4.14Å; S33-F353 WeakPolarHBondContact OG-CA 3.38Å; S33-F353 WeakPolarHBondContact OG-CB 3.3Å; S33-F353 PolarHBondContact OG-N 2.8Å; W349-F353 VanDerWaalsContact O-CB 3.32Å; W349-F353 WeakPolarHBondContact O-CB 3.23Å; W349-F353 PolarHBondContact O-N 3.49Å; S350-F353 PolarHBondContact O-N 2.86Å; L351-F353 VanDerWaalsContact C-N 3.27Å; L351-F353 PolarHBondContact O-N 3.2Å; F353-T356 PolarHBondContact O-N 2.84Å; F353-Y357 WeakPolarHBondContact O-CB 3.11Å; F353-Y357 PolarHBondContact O-N 3.43Å |
| 354 | W | 89.5 | Confident | 86.8 | Confident | 137 Ų | 137 | 59.8 Ų | 59.8 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -42.9 | -177 | -72.7 | 118.9 | 0 | 0 | 0 | 112.7 | S350 L351 T356 Y357 E358 F369 | S350-W354 PolarHBondContact O-N 2.77Å; L351-W354 PolarHBondContact O-N 3.45Å; W354-T356 VanDerWaalsContact C-N 3.34Å; W354-T356 PolarHBondContact O-N 2.86Å; W354-Y357 HydrophobicContact CE3-CD1 4.15Å; W354-Y357 HydrophobicContact CZ3-CD1 4.07Å; W354-Y357 HydrophobicContact CZ3-CE1 4.37Å; W354-Y357 PolarHBondContact O-N 3.17Å; W354-E358 VanDerWaalsContact O-CB 3.29Å; W354-E358 WeakPolarHBondContact O-CB 3.23Å; W354-E358 PolarHBondContact O-N 2.85Å; W354-F369 HydrophobicContact CZ3-CE2 4.21Å; W354-F369 HydrophobicContact CZ3-CZ 4.32Å |
| 355 | V | 90.5 | Very high | 86.1 | Confident | 75 Ų | 75 | 60 Ų | 60 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | L351 E358 K359 | L351-V355 HydrophobicContact CD1-CG2 3.93Å; L351-V355 HydrophobicContact CG-CG2 4.36Å; L351-V355 WeakPolarHBondContact O-CB 3.2Å; L351-V355 VanDerWaalsContact O-CG2 3.26Å; L351-V355 WeakPolarHBondContact O-CG2 3.18Å; L351-V355 PolarHBondContact O-N 2.89Å; V355-E358 PolarHBondContact O-N 3.39Å; V355-K359 VanDerWaalsContact O-CG 3.28Å; V355-K359 WeakPolarHBondContact O-CG 3.31Å; V355-K359 PolarHBondContact O-N 3.44Å |
| 356 | T | 90.3 | Very high | 85.2 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 179.1 | -55.1 | 0 | 0 | 0 | 0 | 111 | A29 L32 T352 F353 W354 E358 K359 I360 | A29-T356 HydrophobicContact CB-CG2 4.03Å; L32-T356 HydrophobicContact CB-CG2 4.2Å; L32-T356 HydrophobicContact CD2-CG2 3.69Å; L32-T356 HydrophobicContact CG-CG2 4.49Å; T352-T356 WeakPolarHBondContact O-CB 3.29Å; T352-T356 PolarHBondContact O-N 3.35Å; T352-T356 PolarHBondContact O-OG1 3.48Å; F353-T356 PolarHBondContact O-N 2.84Å; W354-T356 VanDerWaalsContact C-N 3.34Å; W354-T356 PolarHBondContact O-N 2.86Å; T356-E358 VanDerWaalsContact C-N 3.33Å; T356-E358 PolarHBondContact O-N 3.39Å; T356-K359 PolarHBondContact O-N 2.82Å; T356-I360 HydrophobicContact CG2-CD1 3.74Å; T356-I360 HydrophobicContact CG2-CG1 4.32Å; T356-I360 WeakPolarHBondContact O-CB 3.26Å; T356-I360 VanDerWaalsContact O-CG1 3.23Å; T356-I360 WeakPolarHBondContact O-CG1 3.25Å; T356-I360 PolarHBondContact O-N 2.87Å |
| 357 | Y | 87.9 | Confident | 83.7 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 178.7 | -176 | -106.7 | 0 | 0 | 0 | 111.4 | M25 C26 A29 F353 W354 I360 R361 F369 | M25-Y357 HydrophobicContact CB-CD2 4.24Å; M25-Y357 HydrophobicContact CB-CE2 3.87Å; C26-Y357 VanDerWaalsContact SG-CE2 3.55Å; A29-Y357 HydrophobicContact CB-CD2 4.34Å; F353-Y357 WeakPolarHBondContact O-CB 3.11Å; F353-Y357 PolarHBondContact O-N 3.43Å; W354-Y357 HydrophobicContact CE3-CD1 4.15Å; W354-Y357 HydrophobicContact CZ3-CD1 4.07Å; W354-Y357 HydrophobicContact CZ3-CE1 4.37Å; W354-Y357 PolarHBondContact O-N 3.17Å; Y357-I360 PolarHBondContact O-N 3.34Å; Y357-R361 HydrophobicContact CD1-CG 4.39Å; Y357-R361 HydrophobicContact CE1-CG 4.12Å; Y357-R361 WeakPolarHBondContact O-CB 3.29Å; Y357-R361 WeakPolarHBondContact O-CG 3.36Å; Y357-R361 PolarHBondContact O-N 3.07Å; Y357-F369 HydrophobicContact CE1-CE2 4.41Å |
| 358 | E | 84.1 | Confident | 81.9 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | 177.2 | -169.7 | 61.6 | -164.9 | 0 | 0 | 111.6 | W354 V355 T356 I360 R361 C362 G368 F369 | W354-E358 VanDerWaalsContact O-CB 3.29Å; W354-E358 WeakPolarHBondContact O-CB 3.23Å; W354-E358 PolarHBondContact O-N 2.85Å; V355-E358 PolarHBondContact O-N 3.39Å; T356-E358 VanDerWaalsContact C-N 3.33Å; T356-E358 PolarHBondContact O-N 3.39Å; E358-I360 VanDerWaalsContact C-N 3.34Å; E358-I360 PolarHBondContact O-N 3.48Å; E358-R361 WeakPolarHBondContact O-CB 3.35Å; E358-R361 PolarHBondContact O-N 2.83Å; E358-R361 VanDerWaalsContact O-N 3.17Å; E358-C362 PolarHBondContact O-N 3.42Å; E358-C362 PolarHBondContact O-SG 3Å; E358-G368 WeakPolarHBondContact OE1-CA 3.33Å; E358-F369 WeakPolarHBondContact OE2-CD2 3.4Å |
| 359 | K | 88.3 | Confident | 79.8 | Confident | 138 Ų | 138 | 70.1 Ų | 70.1 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.1 | -41.6 | 175.8 | -68.6 | -61.6 | -179 | -172 | 0 | 112.2 | V355 T356 R361 C362 L363 | V355-K359 VanDerWaalsContact O-CG 3.28Å; V355-K359 WeakPolarHBondContact O-CG 3.31Å; V355-K359 PolarHBondContact O-N 3.44Å; T356-K359 PolarHBondContact O-N 2.82Å; K359-R361 VanDerWaalsContact C-N 3.33Å; K359-C362 PolarHBondContact O-N 3.49Å; K359-L363 WeakPolarHBondContact O-CB 3.49Å; K359-L363 VanDerWaalsContact O-CG 3.25Å; K359-L363 WeakPolarHBondContact O-CG 3.26Å; K359-L363 PolarHBondContact O-N 3.34Å |
| 360 | I | 85.6 | Confident | 79.2 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 21% | 0.21 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.4 | -66.6 | 168.6 | 0 | 0 | 0 | 110.6 | M25 A29 T356 Y357 E358 L363 A364 | M25-I360 HydrophobicContact CB-CG2 3.9Å; M25-I360 HydrophobicContact CG-CG2 3.56Å; M25-I360 HydrophobicContact SD-CG2 4.12Å; A29-I360 HydrophobicContact CB-CD1 4.32Å; T356-I360 HydrophobicContact CG2-CD1 3.74Å; T356-I360 HydrophobicContact CG2-CG1 4.32Å; T356-I360 WeakPolarHBondContact O-CB 3.26Å; T356-I360 VanDerWaalsContact O-CG1 3.23Å; T356-I360 WeakPolarHBondContact O-CG1 3.25Å; T356-I360 PolarHBondContact O-N 2.87Å; Y357-I360 PolarHBondContact O-N 3.34Å; E358-I360 VanDerWaalsContact C-N 3.34Å; E358-I360 PolarHBondContact O-N 3.48Å; I360-L363 WeakPolarHBondContact O-CB 3.19Å; I360-L363 PolarHBondContact O-N 2.87Å; I360-A364 VanDerWaalsContact O-CB 3.31Å; I360-A364 WeakPolarHBondContact O-CB 3.47Å; I360-A364 PolarHBondContact O-N 2.87Å |
| 361 | R | 80.3 | Confident | 78.7 | Confident | 31 Ų | 31 | 71.5 Ų | 71.5 | 12% | 0.117 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 175.5 | -79.7 | -177.9 | 63.2 | 168.4 | 0.3 | 112.8 | M25 Y357 E358 K359 L363 A364 G365 V366 D367 | M25-R361 HydrophobicContact CE-CG 4.31Å; M25-R361 HydrophobicContact SD-CG 3.94Å; Y357-R361 HydrophobicContact CD1-CG 4.39Å; Y357-R361 HydrophobicContact CE1-CG 4.12Å; Y357-R361 WeakPolarHBondContact O-CB 3.29Å; Y357-R361 WeakPolarHBondContact O-CG 3.36Å; Y357-R361 PolarHBondContact O-N 3.07Å; E358-R361 WeakPolarHBondContact O-CB 3.35Å; E358-R361 PolarHBondContact O-N 2.83Å; E358-R361 VanDerWaalsContact O-N 3.17Å; K359-R361 VanDerWaalsContact C-N 3.33Å; R361-L363 VanDerWaalsContact C-N 3.3Å; R361-L363 PolarHBondContact O-N 3.04Å; R361-A364 CarbonylContact O-C 3.19Å; R361-A364 WeakPolarHBondContact O-CA 3.48Å; R361-A364 WeakPolarHBondContact O-CB 3.21Å; R361-A364 PolarHBondContact O-N 3.45Å; R361-G365 PolarHBondContact O-N 3.43Å; R361-G365 VanDerWaalsContact O-N 3.13Å; R361-V366 HydrophobicContact CB-CB 4.41Å; R361-V366 PolarHBondContact O-N 3.3Å; R361-D367 PolarHBondContact NH2-O 2.84Å |
| 362 | C | 81.2 | Confident | 78 | Confident | 70 Ų | 70 | 69 Ų | 69 | 47% | 0.473 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.8 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | E358 K359 A364 G365 | E358-C362 PolarHBondContact O-N 3.42Å; E358-C362 PolarHBondContact O-SG 3Å; K359-C362 PolarHBondContact O-N 3.49Å; C362-A364 PolarHBondContact O-N 2.95Å; C362-G365 PolarHBondContact O-N 2.67Å; C362-G365 VanDerWaalsContact O-N 3.14Å |
| 363 | L | 79.4 | Confident | 77.2 | Confident | 135 Ų | 135 | 71.5 Ų | 71.5 | 71% | 0.707 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.1 | -32 | 174.5 | -71.7 | 171 | 0 | 0 | 0 | 112.3 | K359 I360 R361 G365 | K359-L363 WeakPolarHBondContact O-CB 3.49Å; K359-L363 VanDerWaalsContact O-CG 3.25Å; K359-L363 WeakPolarHBondContact O-CG 3.26Å; K359-L363 PolarHBondContact O-N 3.34Å; I360-L363 WeakPolarHBondContact O-CB 3.19Å; I360-L363 PolarHBondContact O-N 2.87Å; R361-L363 VanDerWaalsContact C-N 3.3Å; R361-L363 PolarHBondContact O-N 3.04Å; L363-G365 VanDerWaalsContact C-N 3.28Å; L363-G365 PolarHBondContact O-N 2.94Å |
| 364 | A | 76.6 | Confident | 76.3 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 5% | 0.05 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 1.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V10 M25 I360 R361 C362 V366 | V10-A364 HydrophobicContact CG1-CB 3.56Å; M25-A364 HydrophobicContact SD-CB 4.04Å; I360-A364 VanDerWaalsContact O-CB 3.31Å; I360-A364 WeakPolarHBondContact O-CB 3.47Å; I360-A364 PolarHBondContact O-N 2.87Å; R361-A364 CarbonylContact O-C 3.19Å; R361-A364 WeakPolarHBondContact O-CA 3.48Å; R361-A364 WeakPolarHBondContact O-CB 3.21Å; R361-A364 PolarHBondContact O-N 3.45Å; C362-A364 PolarHBondContact O-N 2.95Å; A364-V366 HydrophobicContact CB-CG2 4.36Å; A364-V366 PolarHBondContact O-N 3.28Å |
| 365 | G | 70.9 | Confident | 75.4 | Confident | 36 Ų | 36 | 70 Ų | 70 | 37% | 0.371 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 28.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K14 R361 C362 L363 | K14-G365 PolarHBondContact NZ-O 3.03Å; R361-G365 PolarHBondContact O-N 3.43Å; R361-G365 VanDerWaalsContact O-N 3.13Å; C362-G365 PolarHBondContact O-N 2.67Å; C362-G365 VanDerWaalsContact O-N 3.14Å; L363-G365 VanDerWaalsContact C-N 3.28Å; L363-G365 PolarHBondContact O-N 2.94Å |
| 366 | V | 68.4 | Low | 74.3 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 129 | 168 | -175.5 | 0 | 0 | 0 | 0 | 106.8 | R361 A364 | R361-V366 HydrophobicContact CB-CB 4.41Å; R361-V366 PolarHBondContact O-N 3.3Å; A364-V366 HydrophobicContact CB-CG2 4.36Å; A364-V366 PolarHBondContact O-N 3.28Å |
| 367 | D | 53.3 | Low | 73.1 | Confident | 144 Ų | 144 | 73.6 Ų | 73.6 | 77% | 0.77 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 143.3 | 177.3 | -62.5 | -43.8 | 0 | 0 | 0 | 110.5 | R361 | R361-D367 PolarHBondContact NH2-O 2.84Š|
| 368 | G | 49.3 | Very low | 71.9 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 164.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E358 | E358-G368 WeakPolarHBondContact OE1-CA 3.33Š|
| 369 | F | 45.1 | Very low | 70.8 | Confident | 200 Ų | 200 | 79.8 Ų | 79.8 | 88% | 0.877 | 44% | 0.437 | S | S | * | . | trans | -57.2 | 0 | -177 | -88.9 | -76.9 | 0 | 0 | 0 | 114.6 | W354 Y357 E358 | W354-F369 HydrophobicContact CZ3-CE2 4.21Å; W354-F369 HydrophobicContact CZ3-CZ 4.32Å; Y357-F369 HydrophobicContact CE1-CE2 4.41Å; E358-F369 WeakPolarHBondContact OE2-CD2 3.4Å |
Retrieved 369 of 369 residues in 175.4 ms
(Link to these results)