| 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 | 51.9 | Low | 54.3 | Low | 185 Ų | 185 | 116.1 Ų | 116.1 | 91% | 0.911 | 59% | 0.588 | S | S | * | * | 0 | -49.2 | 0 | -108.3 | 160 | 176.1 | 0 | 0 | 114.2 | T3 V4 M5 | M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.01Å; M1-V4 PolarHBondContact O-N 3.44Å; M1-M5 WeakPolarHBondContact O-CG 3.42Å; M1-M5 PolarHBondContact O-N 3.19Å | |||
| 2 | R | 54.4 | Low | 53.7 | Low | 226 Ų | 226 | 110.9 Ų | 110.9 | 85% | 0.853 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.8 | -34.3 | -177.5 | -137.4 | 176.7 | -160.9 | 167.8 | 4.6 | 114.2 | R6 | R2-R6 WeakPolarHBondContact O-CB 3.41Å; R2-R6 PolarHBondContact O-N 3.29Å; R2-R6 VanDerWaalsContact O-N 3.13Å |
| 3 | T | 56.3 | Low | 53.9 | Low | 97 Ų | 97 | 111.5 Ų | 111.5 | 60% | 0.595 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.9 | -42.7 | -180 | -39.1 | 0 | 0 | 0 | 0 | 112.9 | M1 M5 R6 G7 F24 | M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.01Å; T3-M5 VanDerWaalsContact C-N 3.31Å; T3-M5 PolarHBondContact O-N 3.21Å; T3-R6 WeakPolarHBondContact O-CB 3.48Å; T3-R6 PolarHBondContact O-N 3.08Å; T3-G7 PolarHBondContact O-N 3.16Å; T3-F24 HydrophobicContact CG2-CE2 4.45Å |
| 4 | V | 57.7 | Low | 54.1 | Low | 39 Ų | 39 | 115.9 Ų | 115.9 | 24% | 0.236 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -59.4 | -44 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | M1 R6 G7 A8 L16 F24 | M1-V4 PolarHBondContact O-N 3.44Å; V4-R6 VanDerWaalsContact C-N 3.29Å; V4-R6 PolarHBondContact O-N 3.16Å; V4-G7 PolarHBondContact O-N 2.87Å; V4-A8 PolarHBondContact O-N 3.3Å; V4-L16 HydrophobicContact CG1-CD2 3.62Å; V4-F24 HydrophobicContact CG2-CD1 3.63Å; V4-F24 HydrophobicContact CG2-CD2 4.06Å; V4-F24 HydrophobicContact CG2-CE1 3.67Å; V4-F24 HydrophobicContact CG2-CE2 4.08Å; V4-F24 HydrophobicContact CG2-CG 3.84Å; V4-F24 HydrophobicContact CG2-CZ 3.9Å |
| 5 | M | 56.1 | Low | 54.5 | Low | 118 Ų | 118 | 118.6 Ų | 118.6 | 58% | 0.581 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.7 | -30.8 | 175.4 | -70.1 | -73.2 | 168.8 | 0 | 0 | 113 | M1 T3 T9 | M1-M5 WeakPolarHBondContact O-CG 3.42Å; M1-M5 PolarHBondContact O-N 3.19Å; T3-M5 VanDerWaalsContact C-N 3.31Å; T3-M5 PolarHBondContact O-N 3.21Å; M5-T9 PolarHBondContact O-N 3.11Å; M5-T9 PolarHBondContact O-OG1 3.43Å |
| 6 | R | 55.2 | Low | 55.4 | Low | 171 Ų | 171 | 116.5 Ų | 116.5 | 65% | 0.645 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.5 | -37.2 | 178.9 | -125.6 | 178.5 | 165.8 | -177 | -6 | 112.6 | R2 T3 V4 A8 T9 Q10 | R2-R6 WeakPolarHBondContact O-CB 3.41Å; R2-R6 PolarHBondContact O-N 3.29Å; R2-R6 VanDerWaalsContact O-N 3.13Å; T3-R6 WeakPolarHBondContact O-CB 3.48Å; T3-R6 PolarHBondContact O-N 3.08Å; V4-R6 VanDerWaalsContact C-N 3.29Å; V4-R6 PolarHBondContact O-N 3.16Å; R6-A8 VanDerWaalsContact C-N 3.31Å; R6-A8 PolarHBondContact O-N 3.34Å; R6-T9 WeakPolarHBondContact CA-OG1 3.23Å; R6-T9 PolarHBondContact O-N 3.25Å; R6-T9 PolarHBondContact O-OG1 3.22Å; R6-Q10 PolarHBondContact O-N 2.74Å |
| 7 | G | 52.3 | Low | 56.7 | Low | 47 Ų | 47 | 113.8 Ų | 113.8 | 49% | 0.485 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.6 | -38.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T3 V4 T9 | T3-G7 PolarHBondContact O-N 3.16Å; V4-G7 PolarHBondContact O-N 2.87Å; G7-T9 VanDerWaalsContact C-N 3.33Å; G7-T9 PolarHBondContact O-N 3.14Å |
| 8 | A | 52.8 | Low | 58 | Low | 23 Ų | 23 | 111.1 Ų | 111.1 | 19% | 0.19 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -70.1 | -26.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V4 R6 L16 | V4-A8 PolarHBondContact O-N 3.3Å; R6-A8 VanDerWaalsContact C-N 3.31Å; R6-A8 PolarHBondContact O-N 3.34Å; A8-L16 HydrophobicContact CB-CD1 4.23Å |
| 9 | T | 54.9 | Low | 59.1 | Low | 108 Ų | 108 | 108.8 Ų | 108.8 | 66% | 0.663 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -92.8 | -25.7 | -174.3 | 32.5 | 0 | 0 | 0 | 0 | 114.3 | M5 R6 G7 N11 | M5-T9 PolarHBondContact O-N 3.11Å; M5-T9 PolarHBondContact O-OG1 3.43Å; R6-T9 WeakPolarHBondContact CA-OG1 3.23Å; R6-T9 PolarHBondContact O-N 3.25Å; R6-T9 PolarHBondContact O-OG1 3.22Å; G7-T9 VanDerWaalsContact C-N 3.33Å; G7-T9 PolarHBondContact O-N 3.14Å; T9-N11 VanDerWaalsContact C-N 3.33Å; T9-N11 PolarHBondContact O-N 3.23Å |
| 10 | Q | 53.8 | Low | 60 | Low | 148 Ų | 148 | 106.4 Ų | 106.4 | 69% | 0.692 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -14.4 | -176.4 | -79.5 | -174.9 | -26.2 | 0 | 0 | 115.1 | R6 | R6-Q10 PolarHBondContact O-N 2.74Š|
| 11 | N | 51.4 | Low | 61 | Low | 115 Ų | 115 | 103.2 Ų | 103.2 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | 14.7 | -173.1 | -83.8 | -27.6 | 0 | 0 | 0 | 115.6 | T9 | T9-N11 VanDerWaalsContact C-N 3.33Å; T9-N11 PolarHBondContact O-N 3.23Å |
| 12 | G | 47.4 | Very low | 62.4 | Low | 54 Ų | 54 | 94.5 Ų | 94.5 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 72.9 | 108 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | R14 | G12-R14 VanDerWaalsContact C-N 3.28Å; G12-R14 PolarHBondContact O-N 3.45Å |
| 13 | S | 56.5 | Low | 63.6 | Low | 119 Ų | 119 | 89.2 Ų | 89.2 | 83% | 0.832 | 49% | 0.485 | S | S | * | . | trans | 17 | 62.7 | 175.2 | 69.6 | 0 | 0 | 0 | 0 | 115.6 | L15 | S13-L15 PolarHBondContact O-N 2.83Š| ||
| 14 | R | 56.1 | Low | 64.8 | Low | 172 Ų | 172 | 87.6 Ų | 87.6 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | trans | -67.1 | 126.7 | 166.5 | -84 | -170.5 | 177.4 | -172.2 | -1.8 | 106.5 | G12 L16 | G12-R14 VanDerWaalsContact C-N 3.28Å; G12-R14 PolarHBondContact O-N 3.45Å; R14-L16 PolarHBondContact O-N 3.19Å | ||
| 15 | L | 61.2 | Low | 65.9 | Low | 157 Ų | 157 | 87.2 Ų | 87.2 | 82% | 0.822 | 47% | 0.465 | S | S | * | . | trans | -53.3 | 124.7 | 173.9 | -141.7 | 89.4 | 0 | 0 | 0 | 106.8 | S13 D17 | S13-L15 PolarHBondContact O-N 2.83Å; L15-D17 VanDerWaalsContact C-N 3.29Å; L15-D17 PolarHBondContact O-N 2.92Å | ||
| 16 | L | 68.7 | Low | 67.1 | Low | 85 Ų | 85 | 83 Ų | 83 | 45% | 0.445 | 45% | 0.449 | S | S | . | . | trans | -70.5 | 94.4 | 172 | -108.9 | 146.4 | 0 | 0 | 0 | 106.7 | V4 A8 R14 I21 | V4-L16 HydrophobicContact CG1-CD2 3.62Å; A8-L16 HydrophobicContact CB-CD1 4.23Å; R14-L16 PolarHBondContact O-N 3.19Å; L16-I21 HydrophobicContact CD2-CD1 3.7Å; L16-I21 HydrophobicContact CD2-CG1 3.6Å | ||
| 17 | D | 77.1 | Confident | 68.1 | Low | 71 Ų | 71 | 81.1 Ų | 81.1 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | trans | -82.2 | 154.8 | 174.5 | 65.4 | 46.4 | 0 | 0 | 0 | 110.8 | L15 D19 S20 I21 | L15-D17 VanDerWaalsContact C-N 3.29Å; L15-D17 PolarHBondContact O-N 2.92Å; D17-D19 PolarHBondContact O-N 3.38Å; D17-D19 PolarHBondContact OD1-N 3.45Å; D17-S20 WeakPolarHBondContact OD1-CB 3.45Å; D17-S20 PolarHBondContact OD1-N 3.03Å; D17-S20 PolarHBondContact OD1-OG 3.31Å; D17-S20 PolarHBondContact OD2-OG 3.46Å; D17-I21 WeakPolarHBondContact O-CG1 3.47Å; D17-I21 PolarHBondContact O-N 2.83Å | ||
| 18 | Y | 80.8 | Confident | 69.3 | Low | 65 Ų | 65 | 79.8 Ų | 79.8 | 26% | 0.255 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.9 | -36.8 | -178.3 | 175.4 | -84.1 | 0 | 0 | 0 | 111.3 | I21 A22 F37 P38 R40 | Y18-I21 WeakPolarHBondContact O-CB 3.48Å; Y18-I21 PolarHBondContact O-N 3.13Å; Y18-I21 VanDerWaalsContact O-N 3.13Å; Y18-A22 HydrophobicContact CD1-CB 4.39Å; Y18-A22 HydrophobicContact CE1-CB 3.97Å; Y18-A22 PolarHBondContact O-N 3.21Å; Y18-F37 HydrophobicContact CD2-CD1 4.35Å; Y18-F37 AromaticContact CE2-CD1 3.73Å; Y18-F37 HydrophobicContact CE2-CD1 3.73Å; Y18-F37 HydrophobicContact CE2-CE1 4.19Å; Y18-P38 WeakPolarHBondContact OH-CD 3.37Å; Y18-P38 PolarHBondContact OH-O 3.28Å; Y18-R40 HydrophobicContact CE1-CG 3.94Å |
| 19 | D | 78.5 | Confident | 70.6 | Confident | 68 Ų | 68 | 86.9 Ų | 86.9 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | -173.9 | -61 | -21.9 | 0 | 0 | 0 | 110.8 | D17 I21 A22 E23 | D17-D19 PolarHBondContact O-N 3.38Å; D17-D19 PolarHBondContact OD1-N 3.45Å; D19-I21 VanDerWaalsContact C-N 3.25Å; D19-I21 PolarHBondContact O-N 2.85Å; D19-A22 PolarHBondContact O-N 3.13Å; D19-E23 WeakPolarHBondContact O-CB 3.15Å; D19-E23 PolarHBondContact O-N 3.41Å |
| 20 | S | 77.9 | Confident | 71.8 | Confident | 60 Ų | 60 | 86.4 Ų | 86.4 | 42% | 0.42 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.6 | -34.8 | 173.1 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | D17 F24 | D17-S20 WeakPolarHBondContact OD1-CB 3.45Å; D17-S20 PolarHBondContact OD1-N 3.03Å; D17-S20 PolarHBondContact OD1-OG 3.31Å; D17-S20 PolarHBondContact OD2-OG 3.46Å; S20-F24 WeakPolarHBondContact O-CB 3.5Å; S20-F24 PolarHBondContact O-N 3.38Å; S20-F24 VanDerWaalsContact O-N 3.11Å |
| 21 | I | 81 | Confident | 72.5 | Confident | 40 Ų | 40 | 89.1 Ų | 89.1 | 21% | 0.205 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -72.8 | -45 | 177.2 | -65 | 169.5 | 0 | 0 | 0 | 110.2 | L16 D17 Y18 D19 F24 F25 F37 | L16-I21 HydrophobicContact CD2-CD1 3.7Å; L16-I21 HydrophobicContact CD2-CG1 3.6Å; D17-I21 WeakPolarHBondContact O-CG1 3.47Å; D17-I21 PolarHBondContact O-N 2.83Å; Y18-I21 WeakPolarHBondContact O-CB 3.48Å; Y18-I21 PolarHBondContact O-N 3.13Å; Y18-I21 VanDerWaalsContact O-N 3.13Å; D19-I21 VanDerWaalsContact C-N 3.25Å; D19-I21 PolarHBondContact O-N 2.85Å; I21-F24 PolarHBondContact O-N 3.28Å; I21-F25 HydrophobicContact CG2-CD2 3.63Å; I21-F25 HydrophobicContact CG2-CE2 3.36Å; I21-F25 HydrophobicContact CG2-CZ 4.49Å; I21-F25 WeakPolarHBondContact O-CD2 3.33Å; I21-F25 PolarHBondContact O-N 3.4Å; I21-F37 HydrophobicContact CG2-CD1 3.88Å; I21-F37 HydrophobicContact CG2-CE1 3.94Å; I21-F37 HydrophobicContact CG2-CG 4.48Å |
| 22 | A | 81.4 | Confident | 73.8 | Confident | 2 Ų | 2 | 87.2 Ų | 87.2 | 2% | 0.017 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y18 D19 F24 F25 A26 | Y18-A22 HydrophobicContact CD1-CB 4.39Å; Y18-A22 HydrophobicContact CE1-CB 3.97Å; Y18-A22 PolarHBondContact O-N 3.21Å; D19-A22 PolarHBondContact O-N 3.13Å; A22-F24 PolarHBondContact O-N 3.36Å; A22-F25 PolarHBondContact O-N 3.11Å; A22-A26 WeakPolarHBondContact O-CB 3.37Å; A22-A26 PolarHBondContact O-N 3.31Å |
| 23 | E | 79.8 | Confident | 75.1 | Confident | 115 Ų | 115 | 87.7 Ų | 87.7 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.1 | -172.4 | -174.6 | -176 | 0 | 0 | 111.9 | D19 F25 A26 N27 | D19-E23 WeakPolarHBondContact O-CB 3.15Å; D19-E23 PolarHBondContact O-N 3.41Å; E23-F25 VanDerWaalsContact C-N 3.34Å; E23-F25 PolarHBondContact O-N 3.36Å; E23-A26 PolarHBondContact O-N 2.94Å; E23-N27 PolarHBondContact O-N 3.43Å; E23-N27 VanDerWaalsContact O-N 3.13Å; E23-N27 PolarHBondContact O-ND2 3.39Å |
| 24 | F | 80.1 | Confident | 75.9 | Confident | 63 Ų | 63 | 85.7 Ų | 85.7 | 28% | 0.276 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 175 | 175.2 | -95.1 | 0 | 0 | 0 | 111.4 | T3 V4 S20 I21 A22 N27 S28 | T3-F24 HydrophobicContact CG2-CE2 4.45Å; V4-F24 HydrophobicContact CG2-CD1 3.63Å; V4-F24 HydrophobicContact CG2-CD2 4.06Å; V4-F24 HydrophobicContact CG2-CE1 3.67Å; V4-F24 HydrophobicContact CG2-CE2 4.08Å; V4-F24 HydrophobicContact CG2-CG 3.84Å; V4-F24 HydrophobicContact CG2-CZ 3.9Å; S20-F24 WeakPolarHBondContact O-CB 3.5Å; S20-F24 PolarHBondContact O-N 3.38Å; S20-F24 VanDerWaalsContact O-N 3.11Å; I21-F24 PolarHBondContact O-N 3.28Å; A22-F24 PolarHBondContact O-N 3.36Å; F24-N27 PolarHBondContact O-N 3.36Å; F24-S28 VanDerWaalsContact O-CB 3.32Å; F24-S28 WeakPolarHBondContact O-CB 3.21Å; F24-S28 PolarHBondContact O-N 3.06Å; F24-S28 VanDerWaalsContact O-N 3.14Å |
| 25 | F | 82 | Confident | 76.8 | Confident | 31 Ų | 31 | 84.1 Ų | 84.1 | 14% | 0.136 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70.8 | -37.4 | 179.6 | -73.5 | -55 | 0 | 0 | 0 | 112.7 | I21 A22 E23 N27 S28 L33 K34 F37 | I21-F25 HydrophobicContact CG2-CD2 3.63Å; I21-F25 HydrophobicContact CG2-CE2 3.36Å; I21-F25 HydrophobicContact CG2-CZ 4.49Å; I21-F25 WeakPolarHBondContact O-CD2 3.33Å; I21-F25 PolarHBondContact O-N 3.4Å; A22-F25 PolarHBondContact O-N 3.11Å; E23-F25 VanDerWaalsContact C-N 3.34Å; E23-F25 PolarHBondContact O-N 3.36Å; F25-N27 PolarHBondContact O-N 3.43Å; F25-S28 PolarHBondContact O-N 3.13Å; F25-S28 VanDerWaalsContact O-N 3.11Å; F25-S28 PolarHBondContact O-OG 3.01Å; F25-L33 HydrophobicContact CD1-CB 3.91Å; F25-L33 HydrophobicContact CD1-CD1 3.95Å; F25-L33 HydrophobicContact CE1-CB 4.14Å; F25-L33 HydrophobicContact CE1-CD1 3.38Å; F25-L33 HydrophobicContact CE1-CG 4.4Å; F25-L33 HydrophobicContact CG-CB 4.27Å; F25-L33 HydrophobicContact CZ-CD1 3.92Å; F25-K34 WeakPolarHBondContact O-CE 3.47Å; F25-F37 HydrophobicContact CD2-CB 3.93Å; F25-F37 HydrophobicContact CD2-CD1 4.4Å; F25-F37 AromaticContact CD2-CD2 3.74Å; F25-F37 HydrophobicContact CD2-CD2 3.74Å; F25-F37 HydrophobicContact CD2-CE2 4.37Å; F25-F37 AromaticContact CD2-CG 3.76Å; F25-F37 HydrophobicContact CD2-CG 3.76Å; F25-F37 HydrophobicContact CE2-CD1 4.48Å; F25-F37 AromaticContact CE2-CD2 3.77Å; F25-F37 HydrophobicContact CE2-CD2 3.77Å; F25-F37 AromaticContact CE2-CE2 3.93Å; F25-F37 HydrophobicContact CE2-CE2 3.93Å; F25-F37 HydrophobicContact CE2-CG 4.07Å; F25-F37 HydrophobicContact CE2-CZ 4.35Å |
| 26 | A | 79.7 | Confident | 77.6 | Confident | 29 Ų | 29 | 83.9 Ų | 83.9 | 24% | 0.24 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -56.4 | -39.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A22 E23 K34 | A22-A26 WeakPolarHBondContact O-CB 3.37Å; A22-A26 PolarHBondContact O-N 3.31Å; E23-A26 PolarHBondContact O-N 2.94Å; A26-K34 WeakPolarHBondContact O-CE 3.35Å; A26-K34 PolarHBondContact O-NZ 3.44Å |
| 27 | N | 77.7 | Confident | 77.9 | Confident | 132 Ų | 132 | 82.9 Ų | 82.9 | 71% | 0.706 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 2.9 | 179.8 | -68.1 | -67.4 | 0 | 0 | 0 | 114.6 | E23 F24 F25 | E23-N27 PolarHBondContact O-N 3.43Å; E23-N27 VanDerWaalsContact O-N 3.13Å; E23-N27 PolarHBondContact O-ND2 3.39Å; F24-N27 PolarHBondContact O-N 3.36Å; F25-N27 PolarHBondContact O-N 3.43Å |
| 28 | S | 76.3 | Confident | 77.8 | Confident | 19 Ų | 19 | 82.9 Ų | 82.9 | 13% | 0.133 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -95.3 | 163 | -179.9 | 79.1 | 0 | 0 | 0 | 0 | 113.6 | F24 F25 F30 | F24-S28 VanDerWaalsContact O-CB 3.32Å; F24-S28 WeakPolarHBondContact O-CB 3.21Å; F24-S28 PolarHBondContact O-N 3.06Å; F24-S28 VanDerWaalsContact O-N 3.14Å; F25-S28 PolarHBondContact O-N 3.13Å; F25-S28 VanDerWaalsContact O-N 3.11Å; F25-S28 PolarHBondContact O-OG 3.01Å; S28-F30 PolarHBondContact O-N 3.17Å; S28-F30 WeakPolarHBondContact OG-CB 3.32Å; S28-F30 WeakPolarHBondContact OG-CD2 3.43Å; S28-F30 PolarHBondContact OG-N 3.45Å |
| 29 | E | 81.2 | Confident | 77.4 | Confident | 171 Ų | 171 | 86.5 Ų | 86.5 | 80% | 0.799 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -68.4 | -10.9 | 169.9 | 63.7 | -170.5 | 136 | 0 | 0 | 113.6 | R31 | E29-R31 PolarHBondContact O-N 3.36Š|
| 30 | F | 78.8 | Confident | 77.2 | Confident | 99 Ų | 99 | 90.5 Ų | 90.5 | 43% | 0.434 | 45% | 0.445 | S | S | . | . | trans | -79.5 | 67.2 | -177.6 | -55.4 | -70.2 | 0 | 0 | 0 | 111.8 | S28 A32 L33 | S28-F30 PolarHBondContact O-N 3.17Å; S28-F30 WeakPolarHBondContact OG-CB 3.32Å; S28-F30 WeakPolarHBondContact OG-CD2 3.43Å; S28-F30 PolarHBondContact OG-N 3.45Å; F30-A32 PolarHBondContact O-N 2.74Å; F30-A32 VanDerWaalsContact O-N 3.16Å; F30-L33 HydrophobicContact CB-CB 4.38Å; F30-L33 HydrophobicContact CB-CD1 4.05Å; F30-L33 HydrophobicContact CB-CG 4.36Å; F30-L33 HydrophobicContact CG-CD1 4.48Å; F30-L33 PolarHBondContact O-N 2.95Å | ||
| 31 | R | 70.1 | Confident | 76.7 | Confident | 205 Ų | 205 | 92.2 Ų | 92.2 | 77% | 0.774 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -52 | -38.3 | 179 | -71.1 | -174.3 | 178.2 | -165.9 | -1.2 | 113.2 | E29 L33 K34 | E29-R31 PolarHBondContact O-N 3.36Å; R31-L33 PolarHBondContact O-N 3.36Å; R31-K34 WeakPolarHBondContact O-CB 3.44Å; R31-K34 PolarHBondContact O-N 2.74Å; R31-K34 VanDerWaalsContact O-N 3.16Å |
| 32 | A | 78.6 | Confident | 76.1 | Confident | 74 Ų | 74 | 96.3 Ų | 96.3 | 61% | 0.612 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.2 | -21.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F30 F36 | F30-A32 PolarHBondContact O-N 2.74Å; F30-A32 VanDerWaalsContact O-N 3.16Å; A32-F36 VanDerWaalsContact O-CD2 3.23Å; A32-F36 WeakPolarHBondContact O-CD2 3.36Å; A32-F36 WeakPolarHBondContact O-CE2 3.4Å |
| 33 | L | 74 | Confident | 75.4 | Confident | 64 Ų | 64 | 102.5 Ų | 102.5 | 34% | 0.335 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -93 | -12 | 179.9 | -65.2 | 176.1 | 0 | 0 | 0 | 112.9 | F25 F30 R31 D35 F36 F37 | F25-L33 HydrophobicContact CD1-CB 3.91Å; F25-L33 HydrophobicContact CD1-CD1 3.95Å; F25-L33 HydrophobicContact CE1-CB 4.14Å; F25-L33 HydrophobicContact CE1-CD1 3.38Å; F25-L33 HydrophobicContact CE1-CG 4.4Å; F25-L33 HydrophobicContact CG-CB 4.27Å; F25-L33 HydrophobicContact CZ-CD1 3.92Å; F30-L33 HydrophobicContact CB-CB 4.38Å; F30-L33 HydrophobicContact CB-CD1 4.05Å; F30-L33 HydrophobicContact CB-CG 4.36Å; F30-L33 HydrophobicContact CG-CD1 4.48Å; F30-L33 PolarHBondContact O-N 2.95Å; R31-L33 PolarHBondContact O-N 3.36Å; L33-D35 VanDerWaalsContact C-N 3.3Å; L33-D35 PolarHBondContact O-N 2.66Å; L33-F36 PolarHBondContact O-N 3.27Å; L33-F37 PolarHBondContact O-N 3.31Å; L33-F37 VanDerWaalsContact O-N 3.08Å |
| 34 | K | 72.6 | Confident | 74.8 | Confident | 77 Ų | 77 | 101.1 Ų | 101.1 | 34% | 0.335 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 177.7 | -64.7 | -173.3 | 176 | -161.1 | 0 | 111.9 | F25 A26 R31 F36 F37 | F25-K34 WeakPolarHBondContact O-CE 3.47Å; A26-K34 WeakPolarHBondContact O-CE 3.35Å; A26-K34 PolarHBondContact O-NZ 3.44Å; R31-K34 WeakPolarHBondContact O-CB 3.44Å; R31-K34 PolarHBondContact O-N 2.74Å; R31-K34 VanDerWaalsContact O-N 3.16Å; K34-F36 PolarHBondContact O-N 3.16Å; K34-F37 CarbonylContact O-C 3.21Å; K34-F37 PolarHBondContact O-N 3.49Å |
| 35 | D | 75.2 | Confident | 74.3 | Confident | 139 Ų | 139 | 103.3 Ų | 103.3 | 74% | 0.743 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -25 | -179.9 | -60 | -22.9 | 0 | 0 | 0 | 112.5 | L33 | L33-D35 VanDerWaalsContact C-N 3.3Å; L33-D35 PolarHBondContact O-N 2.66Å |
| 36 | F | 77.6 | Confident | 73.7 | Confident | 152 Ų | 152 | 103.9 Ų | 103.9 | 67% | 0.667 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -23.3 | 177.1 | -65.1 | -83.8 | 0 | 0 | 0 | 113 | A32 L33 K34 P38 | A32-F36 VanDerWaalsContact O-CD2 3.23Å; A32-F36 WeakPolarHBondContact O-CD2 3.36Å; A32-F36 WeakPolarHBondContact O-CE2 3.4Å; L33-F36 PolarHBondContact O-N 3.27Å; K34-F36 PolarHBondContact O-N 3.16Å; F36-P38 WeakPolarHBondContact O-CD 3.12Å |
| 37 | F | 76.4 | Confident | 73.1 | Confident | 64 Ų | 64 | 106.8 Ų | 106.8 | 28% | 0.281 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -125.6 | 65.5 | 178.8 | -66.5 | -88.3 | 0 | 0 | 0 | 110.4 | Y18 I21 F25 L33 K34 | Y18-F37 HydrophobicContact CD2-CD1 4.35Å; Y18-F37 AromaticContact CE2-CD1 3.73Å; Y18-F37 HydrophobicContact CE2-CD1 3.73Å; Y18-F37 HydrophobicContact CE2-CE1 4.19Å; I21-F37 HydrophobicContact CG2-CD1 3.88Å; I21-F37 HydrophobicContact CG2-CE1 3.94Å; I21-F37 HydrophobicContact CG2-CG 4.48Å; F25-F37 HydrophobicContact CD2-CB 3.93Å; F25-F37 HydrophobicContact CD2-CD1 4.4Å; F25-F37 AromaticContact CD2-CD2 3.74Å; F25-F37 HydrophobicContact CD2-CD2 3.74Å; F25-F37 HydrophobicContact CD2-CE2 4.37Å; F25-F37 AromaticContact CD2-CG 3.76Å; F25-F37 HydrophobicContact CD2-CG 3.76Å; F25-F37 HydrophobicContact CE2-CD1 4.48Å; F25-F37 AromaticContact CE2-CD2 3.77Å; F25-F37 HydrophobicContact CE2-CD2 3.77Å; F25-F37 AromaticContact CE2-CE2 3.93Å; F25-F37 HydrophobicContact CE2-CE2 3.93Å; F25-F37 HydrophobicContact CE2-CG 4.07Å; F25-F37 HydrophobicContact CE2-CZ 4.35Å; L33-F37 PolarHBondContact O-N 3.31Å; L33-F37 VanDerWaalsContact O-N 3.08Å; K34-F37 CarbonylContact O-C 3.21Å; K34-F37 PolarHBondContact O-N 3.49Å |
| 38 | P | 73.7 | Confident | 72.7 | Confident | 71 Ų | 71 | 105.1 Ų | 105.1 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 140.1 | 175.2 | 26.7 | -34.1 | 0 | 0 | 0 | 110 | Y18 F36 R40 | Y18-P38 WeakPolarHBondContact OH-CD 3.37Å; Y18-P38 PolarHBondContact OH-O 3.28Å; F36-P38 WeakPolarHBondContact O-CD 3.12Å; P38-R40 PolarHBondContact O-N 2.82Å |
| 39 | E | 72.9 | Confident | 72.3 | Confident | 142 Ų | 142 | 112 Ų | 112 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 127.7 | 172.1 | -167.5 | 170.8 | -165.5 | 0 | 0 | 108.9 | ||
| 40 | R | 74.5 | Confident | 71.7 | Confident | 152 Ų | 152 | 108.4 Ų | 108.4 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -92.8 | 121 | 178.4 | -68.3 | 177.9 | -177.7 | -170.7 | 3.3 | 107.5 | Y18 P38 R42 | Y18-R40 HydrophobicContact CE1-CG 3.94Å; P38-R40 PolarHBondContact O-N 2.82Å; R40-R42 PolarHBondContact O-N 3.4Å |
| 41 | V | 68.1 | Low | 71.1 | Confident | 95 Ų | 95 | 108.3 Ų | 108.3 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 121.9 | 171.7 | -172.7 | 0 | 0 | 0 | 0 | 107.9 | I46 | V41-I46 HydrophobicContact CG1-CB 4.35Å; V41-I46 HydrophobicContact CG1-CD1 4.02Å; V41-I46 HydrophobicContact CG1-CG1 4.29Å; V41-I46 HydrophobicContact CG1-CG2 3.28Å |
| 42 | R | 68.3 | Low | 70.6 | Confident | 127 Ų | 127 | 103.8 Ų | 103.8 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 139.8 | -179.8 | -49.3 | 178.9 | 74.8 | -128.8 | -3.5 | 108.5 | R40 D44 E45 I46 | R40-R42 PolarHBondContact O-N 3.4Å; R42-D44 WeakPolarHBondContact CB-OD1 3.3Å; R42-D44 IonicContact CZ-OD1 3.9Å; R42-D44 IonicContact CZ-OD2 3.9Å; R42-D44 IonicContact NH1-OD1 2.8Å; R42-D44 IonicContact NH1-OD2 3.51Å; R42-D44 PolarHBondContact NH1-OD2 3.48Å; R42-D44 IonicContact NH2-OD2 3.75Å; R42-D44 PolarHBondContact O-N 3.37Å; R42-E45 HydrophobicContact CB-CG 4.18Å; R42-E45 PolarHBondContact N-OE2 2.99Å; R42-E45 WeakPolarHBondContact O-CB 3.39Å; R42-E45 PolarHBondContact O-N 3.38Å; R42-I46 PolarHBondContact O-N 3.25Å |
| 43 | F | 65.8 | Low | 69.8 | Low | 131 Ų | 131 | 106.4 Ų | 106.4 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.9 | -34.4 | -173.2 | -174.6 | -94.2 | 0 | 0 | 0 | 112.4 | E45 I46 E47 | F43-E45 VanDerWaalsContact C-N 3.26Å; F43-E45 PolarHBondContact O-N 3.36Å; F43-I46 WeakPolarHBondContact O-CG1 3.43Å; F43-I46 PolarHBondContact O-N 2.8Å; F43-E47 WeakPolarHBondContact O-CB 3.45Å; F43-E47 PolarHBondContact O-N 2.87Å |
| 44 | D | 67.9 | Low | 68.8 | Low | 86 Ų | 86 | 114.3 Ų | 114.3 | 46% | 0.46 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61 | -28.8 | 173.7 | 48.5 | -32.1 | 0 | 0 | 0 | 113.5 | R42 | R42-D44 WeakPolarHBondContact CB-OD1 3.3Å; R42-D44 IonicContact CZ-OD1 3.9Å; R42-D44 IonicContact CZ-OD2 3.9Å; R42-D44 IonicContact NH1-OD1 2.8Å; R42-D44 IonicContact NH1-OD2 3.51Å; R42-D44 PolarHBondContact NH1-OD2 3.48Å; R42-D44 IonicContact NH2-OD2 3.75Å; R42-D44 PolarHBondContact O-N 3.37Å |
| 45 | E | 68.7 | Low | 68 | Low | 110 Ų | 110 | 114.9 Ų | 114.9 | 51% | 0.514 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -78.5 | -35 | 179.3 | -65.1 | 170.2 | 168.5 | 0 | 0 | 111.8 | R42 F43 | R42-E45 HydrophobicContact CB-CG 4.18Å; R42-E45 PolarHBondContact N-OE2 2.99Å; R42-E45 WeakPolarHBondContact O-CB 3.39Å; R42-E45 PolarHBondContact O-N 3.38Å; F43-E45 VanDerWaalsContact C-N 3.26Å; F43-E45 PolarHBondContact O-N 3.36Å |
| 46 | I | 70.6 | Confident | 67.1 | Low | 43 Ų | 43 | 114.7 Ų | 114.7 | 22% | 0.221 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -95.8 | -6.5 | 179.3 | 55.3 | -175.4 | 0 | 0 | 0 | 113.6 | V41 R42 F43 S48 E49 I50 | V41-I46 HydrophobicContact CG1-CB 4.35Å; V41-I46 HydrophobicContact CG1-CD1 4.02Å; V41-I46 HydrophobicContact CG1-CG1 4.29Å; V41-I46 HydrophobicContact CG1-CG2 3.28Å; R42-I46 PolarHBondContact O-N 3.25Å; F43-I46 WeakPolarHBondContact O-CG1 3.43Å; F43-I46 PolarHBondContact O-N 2.8Å; I46-S48 PolarHBondContact O-N 2.86Å; I46-E49 PolarHBondContact O-N 3.43Å; I46-I50 HydrophobicContact CB-CD1 3.82Å; I46-I50 HydrophobicContact CB-CG1 4.2Å; I46-I50 HydrophobicContact CD1-CD1 3.57Å; I46-I50 HydrophobicContact CG1-CD1 3.64Å; I46-I50 WeakPolarHBondContact O-CB 3.38Å; I46-I50 VanDerWaalsContact O-CG1 3.3Å; I46-I50 WeakPolarHBondContact O-CG1 2.9Å; I46-I50 PolarHBondContact O-N 3.21Å |
| 47 | E | 65.9 | Low | 65.9 | Low | 89 Ų | 89 | 110 Ų | 110 | 42% | 0.416 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -55.9 | -39.3 | 179.9 | -175.4 | 171.7 | -160 | 0 | 0 | 111 | F43 E49 L51 | F43-E47 WeakPolarHBondContact O-CB 3.45Å; F43-E47 PolarHBondContact O-N 2.87Å; E47-E49 VanDerWaalsContact C-N 3.31Å; E47-E49 PolarHBondContact O-N 2.95Å; E47-L51 HydrophobicContact CG-CD1 3.48Å; E47-L51 VanDerWaalsContact CG-CD1 3.48Å; E47-L51 HydrophobicContact CG-CG 4.14Å; E47-L51 VanDerWaalsContact O-CB 3.25Å; E47-L51 WeakPolarHBondContact O-CB 3.1Å; E47-L51 PolarHBondContact O-N 2.87Å |
| 48 | S | 68.8 | Low | 64.8 | Low | 98 Ų | 98 | 112.7 Ų | 112.7 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.4 | -24.6 | 177.1 | 72.2 | 0 | 0 | 0 | 0 | 114.5 | I46 | I46-S48 PolarHBondContact O-N 2.86Å |
| 49 | E | 68.3 | Low | 63.8 | Low | 162 Ų | 162 | 114.4 Ų | 114.4 | 76% | 0.757 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -90.1 | -30.7 | 178.6 | -62.8 | -173.3 | -172.6 | 0 | 0 | 112 | I46 E47 | I46-E49 PolarHBondContact O-N 3.43Å; E47-E49 VanDerWaalsContact C-N 3.31Å; E47-E49 PolarHBondContact O-N 2.95Å |
| 50 | I | 69 | Low | 62.9 | Low | 97 Ų | 97 | 115.2 Ų | 115.2 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -91.6 | -37.8 | -176 | -62.6 | 177 | 0 | 0 | 0 | 111.7 | I46 P52 | I46-I50 HydrophobicContact CB-CD1 3.82Å; I46-I50 HydrophobicContact CB-CG1 4.2Å; I46-I50 HydrophobicContact CD1-CD1 3.57Å; I46-I50 HydrophobicContact CG1-CD1 3.64Å; I46-I50 WeakPolarHBondContact O-CB 3.38Å; I46-I50 VanDerWaalsContact O-CG1 3.3Å; I46-I50 WeakPolarHBondContact O-CG1 2.9Å; I46-I50 PolarHBondContact O-N 3.21Å; I50-P52 WeakPolarHBondContact O-CD 3.25Å |
| 51 | L | 66.2 | Low | 61.6 | Low | 96 Ų | 96 | 113 Ų | 113 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -83.9 | 105.9 | 173.4 | -65.8 | 177 | 0 | 0 | 0 | 107.7 | E47 T53 | E47-L51 HydrophobicContact CG-CD1 3.48Å; E47-L51 VanDerWaalsContact CG-CD1 3.48Å; E47-L51 HydrophobicContact CG-CG 4.14Å; E47-L51 VanDerWaalsContact O-CB 3.25Å; E47-L51 WeakPolarHBondContact O-CB 3.1Å; E47-L51 PolarHBondContact O-N 2.87Å; L51-T53 PolarHBondContact O-N 2.74Å |
| 52 | P | 59.8 | Low | 60.6 | Low | 111 Ų | 111 | 117.8 Ų | 117.8 | 72% | 0.721 | 67% | 0.67 | S | S | * | * | trans | -55.8 | 125.2 | 169.6 | 24.9 | -31.6 | 0 | 0 | 0 | 105.7 | I50 R54 | I50-P52 WeakPolarHBondContact O-CD 3.25Å; P52-R54 PolarHBondContact O-N 3.04Å | ||
| 53 | T | 60.5 | Low | 60.2 | Low | 128 Ų | 128 | 117.3 Ų | 117.3 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -35.7 | 105.4 | 175.2 | -60.8 | 0 | 0 | 0 | 0 | 107.1 | L51 A55 | L51-T53 PolarHBondContact O-N 2.74Å; T53-A55 PolarHBondContact O-N 2.7Å | ||
| 54 | R | 54.2 | Low | 59.9 | Low | 231 Ų | 231 | 116.6 Ų | 116.6 | 87% | 0.872 | 69% | 0.685 | S | S | * | * | trans | -62.6 | 99.7 | 173.3 | -166.2 | 176.3 | -178 | 174.6 | 0.4 | 101.8 | P52 T56 | P52-R54 PolarHBondContact O-N 3.04Å; R54-T56 PolarHBondContact O-N 3.38Å; R54-T56 PolarHBondContact O-OG1 2.67Å | ||
| 55 | A | 55.8 | Low | 59.5 | Low | 88 Ų | 88 | 118.3 Ų | 118.3 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -59.7 | 90.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | T53 G57 | T53-A55 PolarHBondContact O-N 2.7Å; A55-G57 PolarHBondContact O-N 2.78Å | ||
| 56 | T | 56.6 | Low | 58.9 | Low | 136 Ų | 136 | 118.8 Ų | 118.8 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | -62.5 | 87.6 | 162.5 | 9.2 | 0 | 0 | 0 | 0 | 103.3 | R54 | R54-T56 PolarHBondContact O-N 3.38Å; R54-T56 PolarHBondContact O-OG1 2.67Å | ||
| 57 | G | 51.7 | Low | 58.2 | Low | 52 Ų | 52 | 123.5 Ų | 123.5 | 54% | 0.536 | 74% | 0.739 | S | S | . | * | trans | -50.2 | 147.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | A55 S59 | A55-G57 PolarHBondContact O-N 2.78Å; G57-S59 PolarHBondContact O-N 2.92Å | ||
| 58 | P | 52.9 | Low | 57.7 | Low | 122 Ų | 122 | 125.8 Ų | 125.8 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | trans | -59.6 | 113.1 | -179 | 26.4 | -32 | 0 | 0 | 0 | 107.5 | N60 | P58-N60 PolarHBondContact O-N 2.84Š| ||
| 59 | S | 53.9 | Low | 56.9 | Low | 107 Ų | 107 | 127.8 Ų | 127.8 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -71.7 | 78.4 | 166.4 | 61.5 | 0 | 0 | 0 | 0 | 107.4 | G57 S61 | G57-S59 PolarHBondContact O-N 2.92Å; S59-S61 PolarHBondContact O-N 3.03Å | ||
| 60 | N | 53.8 | Low | 56 | Low | 158 Ų | 158 | 125.2 Ų | 125.2 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -67.7 | 91.1 | 153.9 | -100.4 | 2.4 | 0 | 0 | 0 | 106.2 | P58 | P58-N60 PolarHBondContact O-N 2.84Š| ||
| 61 | S | 47.5 | Very low | 54.9 | Low | 106 Ų | 106 | 127.5 Ų | 127.5 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -102.1 | 114.4 | 159 | 51.7 | 0 | 0 | 0 | 0 | 107.5 | S59 | S59-S61 PolarHBondContact O-N 3.03Š| ||
| 62 | S | 46.5 | Very low | 53.9 | Low | 195 Ų | 195 | 130.4 Ų | 130.4 | 100% | 1.364 | 82% | 0.815 | S | S | * | * | trans | -57.3 | 0 | 175.2 | -53.4 | 0 | 0 | 0 | 0 | 114.3 |
Retrieved 62 of 62 residues in 64.3 ms
(Link to these results)