| 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 | S | 62.9 | Low | 77.6 | Confident | 115 Ų | 115 | 81.5 Ų | 81.5 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | 0 | 112.2 | 0 | 12.5 | 0 | 0 | 0 | 0 | 108.5 | V3 F4 | S1-V3 PolarHBondContact O-N 3.37Å; S1-V3 VanDerWaalsContact O-N 3.07Å; S1-F4 PolarHBondContact O-N 2.71Å; S1-F4 VanDerWaalsContact O-N 3.12Å; S1-F4 WeakPolarHBondContact OG-CD2 3.21Å; S1-F4 VanDerWaalsContact OG-CE2 3.22Å; S1-F4 WeakPolarHBondContact OG-CE2 2.98Å | |||
| 2 | A | 74.7 | Confident | 77.6 | Confident | 70 Ų | 70 | 82.9 Ų | 82.9 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56.9 | -25 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F4 I5 M6 | A2-F4 VanDerWaalsContact C-N 3.29Å; A2-F4 PolarHBondContact O-N 3.29Å; A2-I5 PolarHBondContact O-N 2.97Å; A2-M6 PolarHBondContact O-N 3.26Å; A2-M6 VanDerWaalsContact O-N 3.15Å |
| 3 | V | 77.6 | Confident | 77 | Confident | 50 Ų | 50 | 82.7 Ų | 82.7 | 30% | 0.303 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58 | -38.1 | 176.8 | -169.7 | 0 | 0 | 0 | 0 | 112.4 | S1 I5 M6 A7 V50 T53 | S1-V3 PolarHBondContact O-N 3.37Å; S1-V3 VanDerWaalsContact O-N 3.07Å; V3-I5 PolarHBondContact O-N 3.28Å; V3-M6 PolarHBondContact O-N 2.81Å; V3-A7 VanDerWaalsContact O-CB 3.31Å; V3-A7 WeakPolarHBondContact O-CB 3.12Å; V3-A7 PolarHBondContact O-N 3.38Å; V3-V50 HydrophobicContact CG1-CG1 4.42Å; V3-T53 HydrophobicContact CG2-CG2 4.08Å |
| 4 | F | 79.8 | Confident | 76.2 | Confident | 146 Ų | 146 | 79 Ų | 79 | 64% | 0.64 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.5 | -39.7 | 179.2 | -71.7 | -82.4 | 0 | 0 | 0 | 112 | S1 A2 A7 T8 | S1-F4 PolarHBondContact O-N 2.71Å; S1-F4 VanDerWaalsContact O-N 3.12Å; S1-F4 WeakPolarHBondContact OG-CD2 3.21Å; S1-F4 VanDerWaalsContact OG-CE2 3.22Å; S1-F4 WeakPolarHBondContact OG-CE2 2.98Å; A2-F4 VanDerWaalsContact C-N 3.29Å; A2-F4 PolarHBondContact O-N 3.29Å; F4-A7 PolarHBondContact O-N 2.98Å; F4-T8 WeakPolarHBondContact O-CG2 2.92Å; F4-T8 PolarHBondContact O-N 2.97Å; F4-T8 PolarHBondContact O-OG1 2.96Å |
| 5 | I | 81.9 | Confident | 75.6 | Confident | 127 Ų | 127 | 84.5 Ų | 84.5 | 65% | 0.651 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.7 | -43.9 | 178.8 | -58.2 | 173.4 | 0 | 0 | 0 | 109.9 | A2 V3 T8 G9 | A2-I5 PolarHBondContact O-N 2.97Å; V3-I5 PolarHBondContact O-N 3.28Å; I5-T8 WeakPolarHBondContact CA-OG1 3.4Å; I5-T8 PolarHBondContact O-N 2.76Å; I5-T8 PolarHBondContact O-OG1 2.95Å; I5-G9 PolarHBondContact O-N 2.84Å |
| 6 | M | 81.4 | Confident | 74.8 | Confident | 65 Ų | 65 | 81.6 Ų | 81.6 | 32% | 0.32 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 175.7 | -67.8 | -152.6 | -71.7 | 0 | 0 | 112.3 | A2 V3 G9 L10 V50 | A2-M6 PolarHBondContact O-N 3.26Å; A2-M6 VanDerWaalsContact O-N 3.15Å; V3-M6 PolarHBondContact O-N 2.81Å; M6-G9 PolarHBondContact O-N 2.94Å; M6-L10 WeakPolarHBondContact O-CB 3.28Å; M6-L10 PolarHBondContact O-N 3.26Å; M6-V50 HydrophobicContact CB-CG2 3.93Å; M6-V50 HydrophobicContact CE-CG2 4.37Å |
| 7 | A | 78.9 | Confident | 74 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 32% | 0.322 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V3 F4 L10 L11 | V3-A7 VanDerWaalsContact O-CB 3.31Å; V3-A7 WeakPolarHBondContact O-CB 3.12Å; V3-A7 PolarHBondContact O-N 3.38Å; F4-A7 PolarHBondContact O-N 2.98Å; A7-L10 PolarHBondContact O-N 3.19Å; A7-L11 PolarHBondContact O-N 3Å; A7-L11 VanDerWaalsContact O-N 3.11Å |
| 8 | T | 82.3 | Confident | 73.1 | Confident | 81 Ų | 81 | 81.2 Ų | 81.2 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 174.2 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | F4 I5 L10 L11 V12 | F4-T8 WeakPolarHBondContact O-CG2 2.92Å; F4-T8 PolarHBondContact O-N 2.97Å; F4-T8 PolarHBondContact O-OG1 2.96Å; I5-T8 WeakPolarHBondContact CA-OG1 3.4Å; I5-T8 PolarHBondContact O-N 2.76Å; I5-T8 PolarHBondContact O-OG1 2.95Å; T8-L10 VanDerWaalsContact C-N 3.3Å; T8-L10 PolarHBondContact O-N 3.11Å; T8-L11 PolarHBondContact O-N 2.84Å; T8-V12 WeakPolarHBondContact O-CB 3.03Å; T8-V12 VanDerWaalsContact O-CG2 3.22Å; T8-V12 WeakPolarHBondContact O-CG2 3.35Å; T8-V12 PolarHBondContact O-N 3.26Å |
| 9 | G | 79.7 | Confident | 72.4 | Confident | 41 Ų | 41 | 80.1 Ų | 80.1 | 42% | 0.423 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I5 M6 L11 V12 Y13 | I5-G9 PolarHBondContact O-N 2.84Å; M6-G9 PolarHBondContact O-N 2.94Å; G9-L11 VanDerWaalsContact C-N 3.32Å; G9-L11 PolarHBondContact O-N 3.26Å; G9-V12 PolarHBondContact O-N 3.43Å; G9-Y13 WeakPolarHBondContact O-CB 3.41Å; G9-Y13 PolarHBondContact O-N 3.3Å |
| 10 | L | 78.4 | Confident | 71.6 | Confident | 47 Ų | 47 | 81.2 Ų | 81.2 | 25% | 0.246 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -67 | -30.5 | 176.5 | -145.2 | 86.3 | 0 | 0 | 0 | 113.2 | M6 A7 T8 P14 Y43 A46 I47 | M6-L10 WeakPolarHBondContact O-CB 3.28Å; M6-L10 PolarHBondContact O-N 3.26Å; A7-L10 PolarHBondContact O-N 3.19Å; T8-L10 VanDerWaalsContact C-N 3.3Å; T8-L10 PolarHBondContact O-N 3.11Å; L10-P14 WeakPolarHBondContact O-CD 3.22Å; L10-P14 WeakPolarHBondContact O-CG 3.1Å; L10-Y43 HydrophobicContact CD1-CD2 3.8Å; L10-Y43 HydrophobicContact CD1-CE2 3.47Å; L10-Y43 VanDerWaalsContact CD1-CE2 3.47Å; L10-Y43 HydrophobicContact CG-CD2 4.44Å; L10-Y43 HydrophobicContact CG-CE2 3.67Å; L10-A46 HydrophobicContact CD1-CB 3.93Å; L10-I47 HydrophobicContact CD1-CG1 3.63Å; L10-I47 HydrophobicContact CD2-CG1 4.12Å; L10-I47 HydrophobicContact CG-CG1 4.44Å |
| 11 | L | 75.9 | Confident | 70.8 | Confident | 115 Ų | 115 | 82.7 Ų | 82.7 | 60% | 0.602 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -82.5 | -37.3 | 175.6 | -73.6 | 167.9 | 0 | 0 | 0 | 112.2 | A7 T8 G9 Y13 P14 F15 | A7-L11 PolarHBondContact O-N 3Å; A7-L11 VanDerWaalsContact O-N 3.11Å; T8-L11 PolarHBondContact O-N 2.84Å; G9-L11 VanDerWaalsContact C-N 3.32Å; G9-L11 PolarHBondContact O-N 3.26Å; L11-Y13 VanDerWaalsContact C-N 3.35Å; L11-P14 VanDerWaalsContact O-CD 3.28Å; L11-P14 WeakPolarHBondContact O-CD 2.86Å; L11-P14 VanDerWaalsContact O-CG 3.29Å; L11-P14 WeakPolarHBondContact O-CG 3.29Å; L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3.43Å |
| 12 | V | 78.1 | Confident | 70.6 | Confident | 99 Ų | 99 | 79.6 Ų | 79.6 | 60% | 0.6 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -71.4 | -32.3 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | T8 G9 F15 G16 | T8-V12 WeakPolarHBondContact O-CB 3.03Å; T8-V12 VanDerWaalsContact O-CG2 3.22Å; T8-V12 WeakPolarHBondContact O-CG2 3.35Å; T8-V12 PolarHBondContact O-N 3.26Å; G9-V12 PolarHBondContact O-N 3.43Å; V12-F15 PolarHBondContact O-N 3.44Å; V12-G16 PolarHBondContact O-N 2.79Å |
| 13 | Y | 69.7 | Low | 69.8 | Low | 80 Ų | 80 | 81.8 Ų | 81.8 | 31% | 0.314 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.3 | -54.8 | 177.3 | -174.1 | -102.9 | 0 | 0 | 0 | 113.8 | G9 L11 F15 G16 L17 I39 Y43 | G9-Y13 WeakPolarHBondContact O-CB 3.41Å; G9-Y13 PolarHBondContact O-N 3.3Å; L11-Y13 VanDerWaalsContact C-N 3.35Å; Y13-F15 VanDerWaalsContact C-N 3.33Å; Y13-F15 PolarHBondContact O-N 3.02Å; Y13-G16 PolarHBondContact O-N 3.49Å; Y13-G16 VanDerWaalsContact O-N 3.16Å; Y13-L17 HydrophobicContact CD1-CD1 3.87Å; Y13-L17 HydrophobicContact CD2-CD1 4.12Å; Y13-L17 HydrophobicContact CE1-CD1 3.66Å; Y13-L17 HydrophobicContact CE2-CD1 3.9Å; Y13-L17 HydrophobicContact CG-CD1 4.11Å; Y13-L17 WeakPolarHBondContact O-CD1 3.34Å; Y13-L17 PolarHBondContact O-N 2.99Å; Y13-I39 HydrophobicContact CE1-CG2 4.37Å; Y13-Y43 AromaticContact CD1-CD2 3.35Å; Y13-Y43 HydrophobicContact CD1-CD2 3.35Å; Y13-Y43 AromaticContact CD1-CE2 3.4Å; Y13-Y43 HydrophobicContact CD1-CE2 3.4Å; Y13-Y43 VanDerWaalsContact CD1-CE2 3.4Å; Y13-Y43 HydrophobicContact CD1-CG 4.02Å; Y13-Y43 HydrophobicContact CD2-CD2 4.49Å; Y13-Y43 HydrophobicContact CE1-CD1 4.42Å; Y13-Y43 AromaticContact CE1-CD2 3.78Å; Y13-Y43 HydrophobicContact CE1-CD2 3.78Å; Y13-Y43 HydrophobicContact CE1-CE2 4.09Å; Y13-Y43 AromaticContact CE1-CG 3.96Å; Y13-Y43 HydrophobicContact CE1-CG 3.96Å; Y13-Y43 AromaticContact CG-CD2 3.75Å; Y13-Y43 HydrophobicContact CG-CD2 3.75Å; Y13-Y43 AromaticContact CG-CE2 4Å; Y13-Y43 HydrophobicContact CG-CE2 4Å |
| 14 | P | 65.4 | Low | 68.8 | Low | 31 Ų | 31 | 83.5 Ų | 83.5 | 20% | 0.201 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 176.1 | 25.2 | -33.3 | 0 | 0 | 0 | 112.7 | L10 L11 G16 L17 N18 I31 | L10-P14 WeakPolarHBondContact O-CD 3.22Å; L10-P14 WeakPolarHBondContact O-CG 3.1Å; L11-P14 VanDerWaalsContact O-CD 3.28Å; L11-P14 WeakPolarHBondContact O-CD 2.86Å; L11-P14 VanDerWaalsContact O-CG 3.29Å; L11-P14 WeakPolarHBondContact O-CG 3.29Å; P14-G16 VanDerWaalsContact C-N 3.33Å; P14-L17 PolarHBondContact O-N 3.22Å; P14-N18 PolarHBondContact O-N 3.37Å; P14-I31 HydrophobicContact CB-CG2 4.41Å |
| 15 | F | 66.6 | Low | 67.9 | Low | 162 Ų | 162 | 85 Ų | 85 | 71% | 0.711 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.7 | -36.6 | 172.1 | -98.6 | -83.6 | 0 | 0 | 0 | 112.5 | L11 V12 Y13 N18 | L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3.43Å; V12-F15 PolarHBondContact O-N 3.44Å; Y13-F15 VanDerWaalsContact C-N 3.33Å; Y13-F15 PolarHBondContact O-N 3.02Å; F15-N18 PolarHBondContact O-N 3.16Å |
| 16 | G | 63.8 | Low | 67.1 | Low | 37 Ų | 37 | 79.5 Ų | 79.5 | 38% | 0.381 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V12 Y13 P14 N18 S19 | V12-G16 PolarHBondContact O-N 2.79Å; Y13-G16 PolarHBondContact O-N 3.49Å; Y13-G16 VanDerWaalsContact O-N 3.16Å; P14-G16 VanDerWaalsContact C-N 3.33Å; G16-N18 VanDerWaalsContact C-N 3.29Å; G16-N18 PolarHBondContact O-N 3.46Å; G16-S19 WeakPolarHBondContact O-CB 3.49Å; G16-S19 PolarHBondContact O-N 3.21Å |
| 17 | L | 60.3 | Low | 66.2 | Low | 28 Ų | 28 | 78.3 Ų | 78.3 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66 | -27.8 | 173.9 | -92.1 | 84.2 | 0 | 0 | 0 | 113.1 | Y13 P14 S19 V22 | Y13-L17 HydrophobicContact CD1-CD1 3.87Å; Y13-L17 HydrophobicContact CD2-CD1 4.12Å; Y13-L17 HydrophobicContact CE1-CD1 3.66Å; Y13-L17 HydrophobicContact CE2-CD1 3.9Å; Y13-L17 HydrophobicContact CG-CD1 4.11Å; Y13-L17 WeakPolarHBondContact O-CD1 3.34Å; Y13-L17 PolarHBondContact O-N 2.99Å; P14-L17 PolarHBondContact O-N 3.22Å; L17-S19 PolarHBondContact O-N 3.23Å; L17-V22 HydrophobicContact CG-CG1 4.33Å |
| 18 | N | 58 | Low | 65.2 | Low | 129 Ų | 129 | 82.4 Ų | 82.4 | 69% | 0.69 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -4.4 | 176.5 | -167.6 | 56.4 | 0 | 0 | 0 | 113.7 | P14 F15 G16 | P14-N18 PolarHBondContact O-N 3.37Å; F15-N18 PolarHBondContact O-N 3.16Å; G16-N18 VanDerWaalsContact C-N 3.29Å; G16-N18 PolarHBondContact O-N 3.46Å |
| 19 | S | 59.3 | Low | 64.1 | Low | 59 Ų | 59 | 78.8 Ų | 78.8 | 41% | 0.413 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -75.1 | 135.5 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | G16 L17 L21 V22 | G16-S19 WeakPolarHBondContact O-CB 3.49Å; G16-S19 PolarHBondContact O-N 3.21Å; L17-S19 PolarHBondContact O-N 3.23Å; S19-L21 PolarHBondContact O-N 3.43Å; S19-V22 PolarHBondContact O-N 2.88Å |
| 20 | S | 56.5 | Low | 62.9 | Low | 102 Ų | 102 | 81.4 Ų | 81.4 | 71% | 0.713 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -55 | -22.2 | 179.6 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | S24 | S20-S24 PolarHBondContact O-N 3.11Å; S20-S24 PolarHBondContact O-OG 3.3Å |
| 21 | L | 56.4 | Low | 61.7 | Low | 114 Ų | 114 | 84.2 Ų | 84.2 | 60% | 0.597 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 175.3 | -168.9 | 78.3 | 0 | 0 | 0 | 112.4 | S19 S24 F25 | S19-L21 PolarHBondContact O-N 3.43Å; L21-S24 PolarHBondContact O-OG 3.22Å; L21-F25 HydrophobicContact CD1-CE2 4.18Å; L21-F25 HydrophobicContact CG-CE2 4.28Å; L21-F25 WeakPolarHBondContact O-CD2 3.47Å |
| 22 | V | 57.5 | Low | 60.6 | Low | 49 Ų | 49 | 88.5 Ų | 88.5 | 30% | 0.297 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -75.1 | -41.4 | -179 | 177.7 | 0 | 0 | 0 | 0 | 110 | L17 S19 S24 F25 C26 | L17-V22 HydrophobicContact CG-CG1 4.33Å; S19-V22 PolarHBondContact O-N 2.88Å; V22-S24 PolarHBondContact O-N 2.93Å; V22-F25 PolarHBondContact O-N 3.48Å; V22-F25 VanDerWaalsContact O-N 3.11Å; V22-C26 HydrophobicContact CG1-CB 4.2Å; V22-C26 WeakPolarHBondContact O-CB 3.5Å; V22-C26 PolarHBondContact O-N 3.46Å |
| 23 | R | 58.3 | Low | 59.5 | Low | 116 Ų | 116 | 92.1 Ų | 92.1 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.3 | -27.4 | 177.9 | -161.7 | 141.4 | 165.2 | 150.4 | -2 | 113.2 | G27 D28 A29 | R23-G27 CarbonylContact O-C 3.59Å; R23-G27 PolarHBondContact O-N 2.92Å; R23-G27 VanDerWaalsContact O-O 3.06Å; R23-D28 IonicContact CZ-OD1 3.4Å; R23-D28 IonicContact NE-OD1 3.64Å; R23-D28 IonicContact NH2-OD1 2.81Å; R23-D28 PolarHBondContact NH2-OD1 3.4Å; R23-A29 PolarHBondContact NH1-O 3.29Å |
| 24 | S | 56.5 | Low | 59 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 60% | 0.601 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -76.6 | -27.4 | 173.9 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | S20 L21 V22 | S20-S24 PolarHBondContact O-N 3.11Å; S20-S24 PolarHBondContact O-OG 3.3Å; L21-S24 PolarHBondContact O-OG 3.22Å; V22-S24 PolarHBondContact O-N 2.93Å |
| 25 | F | 60.8 | Low | 58.9 | Low | 179 Ų | 179 | 89 Ų | 89 | 79% | 0.785 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -92.3 | -24.6 | 178 | -73.7 | -69 | 0 | 0 | 0 | 113.1 | L21 V22 | L21-F25 HydrophobicContact CD1-CE2 4.18Å; L21-F25 HydrophobicContact CG-CE2 4.28Å; L21-F25 WeakPolarHBondContact O-CD2 3.47Å; V22-F25 PolarHBondContact O-N 3.48Å; V22-F25 VanDerWaalsContact O-N 3.11Å |
| 26 | C | 64.7 | Low | 58.4 | Low | 11 Ų | 11 | 90.2 Ų | 90.2 | 7% | 0.074 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -112.8 | -7.5 | -164.2 | -164.4 | 0 | 0 | 0 | 0 | 113.9 | V22 A29 A34 E36 C37 | V22-C26 HydrophobicContact CG1-CB 4.2Å; V22-C26 WeakPolarHBondContact O-CB 3.5Å; V22-C26 PolarHBondContact O-N 3.46Å; C26-A29 HydrophobicContact CB-CB 4.29Å; C26-A34 PolarHBondContact SG-O 2.98Å; C26-E36 PolarHBondContact O-N 3.1Å; C26-C37 HydrophobicContact CB-CB 4.33Å; C26-C37 WeakPolarHBondContact SG-CB 3.36Å |
| 27 | G | 63.7 | Low | 58.3 | Low | 39 Ų | 39 | 92 Ų | 92 | 40% | 0.402 | 49% | 0.488 | S | S | . | . | S | Bend | trans | 77.1 | -159.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R23 A29 | R23-G27 CarbonylContact O-C 3.59Å; R23-G27 PolarHBondContact O-N 2.92Å; R23-G27 VanDerWaalsContact O-O 3.06Å; G27-A29 PolarHBondContact O-N 3.31Å |
| 28 | D | 58 | Low | 58.4 | Low | 125 Ų | 125 | 99 Ų | 99 | 67% | 0.668 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -64 | 76.5 | 173.5 | -86.2 | -56.2 | 0 | 0 | 0 | 111.1 | R23 | R23-D28 IonicContact CZ-OD1 3.4Å; R23-D28 IonicContact NE-OD1 3.64Å; R23-D28 IonicContact NH2-OD1 2.81Å; R23-D28 PolarHBondContact NH2-OD1 3.4Å |
| 29 | A | 57.9 | Low | 58.9 | Low | 6 Ų | 6 | 95.2 Ų | 95.2 | 5% | 0.05 | 50% | 0.499 | C | S | . | . | trans | -82.1 | 122.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | R23 C26 G27 Y33 | R23-A29 PolarHBondContact NH1-O 3.29Å; C26-A29 HydrophobicContact CB-CB 4.29Å; G27-A29 PolarHBondContact O-N 3.31Å; A29-Y33 CarbonylContact C-O 3.37Å; A29-Y33 WeakPolarHBondContact CA-O 3.31Å | ||
| 30 | D | 56 | Low | 59.6 | Low | 95 Ų | 95 | 94.1 Ų | 94.1 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | B | Isolated β-bridge | trans | -109.2 | 168 | 173.2 | -155.5 | -83.2 | 0 | 0 | 0 | 110.1 | Y32 Y33 | D30-Y32 PolarHBondContact O-N 2.96Å; D30-Y33 PolarHBondContact N-O 3.01Å; D30-Y33 CarbonylContact O-C 3.43Å; D30-Y33 PolarHBondContact O-N 3.07Å |
| 31 | I | 52.8 | Low | 60.5 | Low | 106 Ų | 106 | 99.7 Ų | 99.7 | 54% | 0.544 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.6 | -173.6 | -69.6 | 169.7 | 0 | 0 | 0 | 112.5 | P14 | P14-I31 HydrophobicContact CB-CG2 4.41Š|
| 32 | Y | 53.1 | Low | 61.7 | Low | 205 Ų | 205 | 96.8 Ų | 96.8 | 80% | 0.804 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | -2.4 | 177.7 | -73.5 | -84.8 | 0 | 0 | 0 | 114.2 | D30 | D30-Y32 PolarHBondContact O-N 2.96Š|
| 33 | Y | 54.1 | Low | 62.6 | Low | 175 Ų | 175 | 97 Ų | 97 | 69% | 0.686 | 50% | 0.497 | S | S | * | . | B | Isolated β-bridge | trans | -136.7 | 95.8 | -171.4 | -142.2 | -91.9 | 0 | 0 | 0 | 108.9 | A29 D30 G35 | A29-Y33 CarbonylContact C-O 3.37Å; A29-Y33 WeakPolarHBondContact CA-O 3.31Å; D30-Y33 PolarHBondContact N-O 3.01Å; D30-Y33 CarbonylContact O-C 3.43Å; D30-Y33 PolarHBondContact O-N 3.07Å; Y33-G35 PolarHBondContact O-N 3.43Å |
| 34 | A | 60 | Low | 63.7 | Low | 12 Ų | 12 | 96.3 Ų | 96.3 | 10% | 0.099 | 50% | 0.499 | C | S | . | . | trans | -74.7 | 20 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | C26 E36 C37 I39 | C26-A34 PolarHBondContact SG-O 2.98Å; A34-E36 PolarHBondContact O-N 2.8Å; A34-C37 CarbonylContact C-O 3.59Å; A34-C37 WeakPolarHBondContact CB-O 3.35Å; A34-C37 PolarHBondContact O-N 2.87Å; A34-I39 HydrophobicContact CB-CG1 3.89Å | ||
| 35 | G | 61.9 | Low | 65.2 | Low | 35 Ų | 35 | 98.1 Ų | 98.1 | 36% | 0.361 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -122.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y33 C37 | Y33-G35 PolarHBondContact O-N 3.43Å; G35-C37 VanDerWaalsContact C-N 3.34Å |
| 36 | E | 56.6 | Low | 66.4 | Low | 187 Ų | 187 | 90.5 Ų | 90.5 | 87% | 0.874 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -4.7 | 176.1 | -70.9 | -67.6 | 133.7 | 0 | 0 | 113.6 | C26 A34 | C26-E36 PolarHBondContact O-N 3.1Å; A34-E36 PolarHBondContact O-N 2.8Å |
| 37 | C | 62.8 | Low | 67.3 | Low | 75 Ų | 75 | 92.2 Ų | 92.2 | 51% | 0.507 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -103 | 135.4 | 174.5 | -157.8 | 0 | 0 | 0 | 0 | 109.5 | C26 A34 G35 | C26-C37 HydrophobicContact CB-CB 4.33Å; C26-C37 WeakPolarHBondContact SG-CB 3.36Å; A34-C37 CarbonylContact C-O 3.59Å; A34-C37 WeakPolarHBondContact CB-O 3.35Å; A34-C37 PolarHBondContact O-N 2.87Å; G35-C37 VanDerWaalsContact C-N 3.34Å |
| 38 | Q | 60.8 | Low | 68.6 | Low | 173 Ų | 173 | 94.1 Ų | 94.1 | 81% | 0.808 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -81 | 141.1 | 173.6 | -93.6 | -152.4 | -97.2 | 0 | 0 | 111.3 | G40 | Q38-G40 PolarHBondContact O-N 3.21Š|
| 39 | I | 69.8 | Low | 70.1 | Confident | 50 Ų | 50 | 89 Ų | 89 | 26% | 0.256 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 121.1 | 164.7 | -63.5 | 172.6 | 0 | 0 | 0 | 108.3 | Y13 A34 Y43 | Y13-I39 HydrophobicContact CE1-CG2 4.37Å; A34-I39 HydrophobicContact CB-CG1 3.89Å; I39-Y43 HydrophobicContact CG2-CD1 3.43Å; I39-Y43 VanDerWaalsContact CG2-CD1 3.43Å; I39-Y43 HydrophobicContact CG2-CE1 4.29Å; I39-Y43 HydrophobicContact CG2-CG 3.89Å |
| 40 | G | 73.4 | Confident | 71.5 | Confident | 36 Ų | 36 | 90 Ų | 90 | 37% | 0.371 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 151.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q38 G42 Y43 | Q38-G40 PolarHBondContact O-N 3.21Å; G40-G42 PolarHBondContact O-N 3.5Å; G40-G42 VanDerWaalsContact O-N 3.07Å; G40-Y43 PolarHBondContact O-N 2.87Å |
| 41 | W | 76.1 | Confident | 73 | Confident | 219 Ų | 219 | 90 Ų | 90 | 83% | 0.83 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -53.1 | -30.8 | 178.8 | -63.4 | 91.6 | 0 | 0 | 0 | 114.1 | Y43 M44 L45 | W41-Y43 VanDerWaalsContact C-N 3.32Å; W41-Y43 PolarHBondContact O-N 3.42Å; W41-M44 PolarHBondContact O-N 3.24Å; W41-L45 WeakPolarHBondContact O-CG 3.39Å; W41-L45 PolarHBondContact O-N 3.36Å |
| 42 | G | 81.4 | Confident | 74.7 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 55% | 0.546 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.6 | -36 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G40 L45 A46 | G40-G42 PolarHBondContact O-N 3.5Å; G40-G42 VanDerWaalsContact O-N 3.07Å; G42-L45 PolarHBondContact O-N 3.03Å; G42-A46 WeakPolarHBondContact O-CB 3.03Å; G42-A46 PolarHBondContact O-N 3.37Å |
| 43 | Y | 76.1 | Confident | 76.4 | Confident | 55 Ų | 55 | 82.7 Ų | 82.7 | 22% | 0.216 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 177.3 | -177.6 | -101.4 | 0 | 0 | 0 | 111.1 | L10 Y13 I39 G40 W41 L45 A46 I47 | L10-Y43 HydrophobicContact CD1-CD2 3.8Å; L10-Y43 HydrophobicContact CD1-CE2 3.47Å; L10-Y43 VanDerWaalsContact CD1-CE2 3.47Å; L10-Y43 HydrophobicContact CG-CD2 4.44Å; L10-Y43 HydrophobicContact CG-CE2 3.67Å; Y13-Y43 AromaticContact CD1-CD2 3.35Å; Y13-Y43 HydrophobicContact CD1-CD2 3.35Å; Y13-Y43 AromaticContact CD1-CE2 3.4Å; Y13-Y43 HydrophobicContact CD1-CE2 3.4Å; Y13-Y43 VanDerWaalsContact CD1-CE2 3.4Å; Y13-Y43 HydrophobicContact CD1-CG 4.02Å; Y13-Y43 HydrophobicContact CD2-CD2 4.49Å; Y13-Y43 HydrophobicContact CE1-CD1 4.42Å; Y13-Y43 AromaticContact CE1-CD2 3.78Å; Y13-Y43 HydrophobicContact CE1-CD2 3.78Å; Y13-Y43 HydrophobicContact CE1-CE2 4.09Å; Y13-Y43 AromaticContact CE1-CG 3.96Å; Y13-Y43 HydrophobicContact CE1-CG 3.96Å; Y13-Y43 AromaticContact CG-CD2 3.75Å; Y13-Y43 HydrophobicContact CG-CD2 3.75Å; Y13-Y43 AromaticContact CG-CE2 4Å; Y13-Y43 HydrophobicContact CG-CE2 4Å; I39-Y43 HydrophobicContact CG2-CD1 3.43Å; I39-Y43 VanDerWaalsContact CG2-CD1 3.43Å; I39-Y43 HydrophobicContact CG2-CE1 4.29Å; I39-Y43 HydrophobicContact CG2-CG 3.89Å; G40-Y43 PolarHBondContact O-N 2.87Å; W41-Y43 VanDerWaalsContact C-N 3.32Å; W41-Y43 PolarHBondContact O-N 3.42Å; Y43-L45 PolarHBondContact O-N 3.15Å; Y43-A46 WeakPolarHBondContact O-CB 3.37Å; Y43-A46 PolarHBondContact O-N 3.34Å; Y43-I47 HydrophobicContact CD1-CD1 3.82Å; Y43-I47 HydrophobicContact CE1-CD1 3.44Å; Y43-I47 VanDerWaalsContact CE1-CD1 3.44Å; Y43-I47 HydrophobicContact CE1-CG1 4.32Å; Y43-I47 WeakPolarHBondContact O-CG1 3.33Å; Y43-I47 PolarHBondContact O-N 2.97Å; Y43-I47 VanDerWaalsContact O-N 3.1Å |
| 44 | M | 81.9 | Confident | 77.9 | Confident | 101 Ų | 101 | 78.4 Ų | 78.4 | 50% | 0.498 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 174.6 | -77.9 | -61.2 | 170.9 | 0 | 0 | 112.2 | W41 A46 I47 V48 | W41-M44 PolarHBondContact O-N 3.24Å; M44-A46 VanDerWaalsContact C-N 3.3Å; M44-A46 PolarHBondContact O-N 3.41Å; M44-I47 PolarHBondContact O-N 2.87Å; M44-I47 HydrophobicContact SD-CD1 4.37Å; M44-V48 WeakPolarHBondContact O-CG2 3.29Å; M44-V48 PolarHBondContact O-N 3.32Å |
| 45 | L | 87.1 | Confident | 79.2 | Confident | 124 Ų | 124 | 82.5 Ų | 82.5 | 65% | 0.649 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.1 | -37.4 | 175.7 | -73.5 | 171 | 0 | 0 | 0 | 112.3 | W41 G42 Y43 G49 | W41-L45 WeakPolarHBondContact O-CG 3.39Å; W41-L45 PolarHBondContact O-N 3.36Å; G42-L45 PolarHBondContact O-N 3.03Å; Y43-L45 PolarHBondContact O-N 3.15Å; L45-G49 PolarHBondContact O-N 3Å |
| 46 | A | 85.7 | Confident | 80.4 | Confident | 18 Ų | 18 | 85.8 Ų | 85.8 | 15% | 0.149 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L10 G42 Y43 M44 G49 V50 | L10-A46 HydrophobicContact CD1-CB 3.93Å; G42-A46 WeakPolarHBondContact O-CB 3.03Å; G42-A46 PolarHBondContact O-N 3.37Å; Y43-A46 WeakPolarHBondContact O-CB 3.37Å; Y43-A46 PolarHBondContact O-N 3.34Å; M44-A46 VanDerWaalsContact C-N 3.3Å; M44-A46 PolarHBondContact O-N 3.41Å; A46-G49 PolarHBondContact O-N 3.41Å; A46-V50 WeakPolarHBondContact O-CG2 3.36Å; A46-V50 PolarHBondContact O-N 3.49Å |
| 47 | I | 84.8 | Confident | 81.7 | Confident | 47 Ų | 47 | 80.4 Ų | 80.4 | 24% | 0.241 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.8 | -52.9 | 176 | -63.9 | 169.9 | 0 | 0 | 0 | 110.2 | L10 Y43 M44 G49 V50 M51 | L10-I47 HydrophobicContact CD1-CG1 3.63Å; L10-I47 HydrophobicContact CD2-CG1 4.12Å; L10-I47 HydrophobicContact CG-CG1 4.44Å; Y43-I47 HydrophobicContact CD1-CD1 3.82Å; Y43-I47 HydrophobicContact CE1-CD1 3.44Å; Y43-I47 VanDerWaalsContact CE1-CD1 3.44Å; Y43-I47 HydrophobicContact CE1-CG1 4.32Å; Y43-I47 WeakPolarHBondContact O-CG1 3.33Å; Y43-I47 PolarHBondContact O-N 2.97Å; Y43-I47 VanDerWaalsContact O-N 3.1Å; M44-I47 PolarHBondContact O-N 2.87Å; M44-I47 HydrophobicContact SD-CD1 4.37Å; I47-G49 VanDerWaalsContact C-N 3.29Å; I47-G49 PolarHBondContact O-N 3.07Å; I47-V50 PolarHBondContact O-N 3.34Å; I47-M51 HydrophobicContact CG2-CG 4.38Å; I47-M51 WeakPolarHBondContact O-CG 3.22Å; I47-M51 PolarHBondContact O-N 3.07Å |
| 48 | V | 90.1 | Very high | 82.7 | Confident | 79 Ų | 79 | 81.9 Ų | 81.9 | 48% | 0.479 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | -178 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | M44 M51 L52 | M44-V48 WeakPolarHBondContact O-CG2 3.29Å; M44-V48 PolarHBondContact O-N 3.32Å; V48-M51 PolarHBondContact O-N 2.81Å; V48-L52 HydrophobicContact CG1-CD1 3.7Å; V48-L52 HydrophobicContact CG1-CG 4.31Å; V48-L52 WeakPolarHBondContact O-CB 3.37Å; V48-L52 WeakPolarHBondContact O-CD1 3.49Å; V48-L52 VanDerWaalsContact O-CG 3.29Å; V48-L52 WeakPolarHBondContact O-CG 3.48Å; V48-L52 PolarHBondContact O-N 2.81Å |
| 49 | G | 89.3 | Confident | 83.8 | Confident | 18 Ų | 18 | 79.8 Ų | 79.8 | 19% | 0.186 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L45 A46 I47 T53 | L45-G49 PolarHBondContact O-N 3Å; A46-G49 PolarHBondContact O-N 3.41Å; I47-G49 VanDerWaalsContact C-N 3.29Å; I47-G49 PolarHBondContact O-N 3.07Å; G49-T53 PolarHBondContact O-N 2.84Å; G49-T53 PolarHBondContact O-OG1 3.04Å |
| 50 | V | 87 | Confident | 84.4 | Confident | 27 Ų | 27 | 80.6 Ų | 80.6 | 16% | 0.164 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | V3 M6 A46 I47 L52 T53 V54 | V3-V50 HydrophobicContact CG1-CG1 4.42Å; M6-V50 HydrophobicContact CB-CG2 3.93Å; M6-V50 HydrophobicContact CE-CG2 4.37Å; A46-V50 WeakPolarHBondContact O-CG2 3.36Å; A46-V50 PolarHBondContact O-N 3.49Å; I47-V50 PolarHBondContact O-N 3.34Å; V50-L52 PolarHBondContact O-N 3.26Å; V50-T53 WeakPolarHBondContact CA-OG1 3.38Å; V50-T53 PolarHBondContact O-N 3.23Å; V50-T53 PolarHBondContact O-OG1 3.12Å; V50-T53 VanDerWaalsContact O-OG1 3.09Å; V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 3.42Å |
| 51 | M | 88.8 | Confident | 84.6 | Confident | 94 Ų | 94 | 86.9 Ų | 86.9 | 46% | 0.463 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 177.3 | -67.3 | -61.2 | 147.4 | 0 | 0 | 111 | I47 V48 T53 V54 F55 | I47-M51 HydrophobicContact CG2-CG 4.38Å; I47-M51 WeakPolarHBondContact O-CG 3.22Å; I47-M51 PolarHBondContact O-N 3.07Å; V48-M51 PolarHBondContact O-N 2.81Å; M51-T53 PolarHBondContact O-N 3.18Å; M51-V54 PolarHBondContact O-N 3.27Å; M51-F55 HydrophobicContact CB-CD2 4.04Å; M51-F55 HydrophobicContact CB-CE2 4.13Å; M51-F55 WeakPolarHBondContact O-CB 3.12Å; M51-F55 WeakPolarHBondContact O-CD2 3.3Å; M51-F55 PolarHBondContact O-N 3.47Å; M51-F55 HydrophobicContact SD-CE2 3.83Å |
| 52 | L | 89 | Confident | 84.6 | Confident | 93 Ų | 93 | 84.2 Ų | 84.2 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 176.3 | -75.3 | 164.1 | 0 | 0 | 0 | 111.2 | V48 V50 V54 F55 L56 | V48-L52 HydrophobicContact CG1-CD1 3.7Å; V48-L52 HydrophobicContact CG1-CG 4.31Å; V48-L52 WeakPolarHBondContact O-CB 3.37Å; V48-L52 WeakPolarHBondContact O-CD1 3.49Å; V48-L52 VanDerWaalsContact O-CG 3.29Å; V48-L52 WeakPolarHBondContact O-CG 3.48Å; V48-L52 PolarHBondContact O-N 2.81Å; V50-L52 PolarHBondContact O-N 3.26Å; L52-V54 PolarHBondContact O-N 3Å; L52-F55 PolarHBondContact O-N 2.88Å; L52-L56 VanDerWaalsContact C-CD1 3.47Å; L52-L56 HydrophobicContact CB-CD1 3.64Å; L52-L56 HydrophobicContact CD2-CD1 3.68Å; L52-L56 HydrophobicContact CG-CD1 4.28Å; L52-L56 VanDerWaalsContact O-CB 3.3Å; L52-L56 WeakPolarHBondContact O-CB 3.12Å; L52-L56 WeakPolarHBondContact O-CD1 3.4Å; L52-L56 PolarHBondContact O-N 2.69Å |
| 53 | T | 87.9 | Confident | 84.3 | Confident | 65 Ų | 65 | 83.9 Ų | 83.9 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.9 | -26.6 | -179.9 | 31.8 | 0 | 0 | 0 | 0 | 114.1 | V3 G49 V50 M51 P57 | V3-T53 HydrophobicContact CG2-CG2 4.08Å; G49-T53 PolarHBondContact O-N 2.84Å; G49-T53 PolarHBondContact O-OG1 3.04Å; V50-T53 WeakPolarHBondContact CA-OG1 3.38Å; V50-T53 PolarHBondContact O-N 3.23Å; V50-T53 PolarHBondContact O-OG1 3.12Å; V50-T53 VanDerWaalsContact O-OG1 3.09Å; M51-T53 PolarHBondContact O-N 3.18Å; T53-P57 WeakPolarHBondContact O-CD 3.37Å; T53-P57 WeakPolarHBondContact O-CG 3.43Å |
| 54 | V | 85.6 | Confident | 83.7 | Confident | 85 Ų | 85 | 86.1 Ų | 86.1 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -81 | -43.5 | 173.7 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | V50 M51 L52 P57 | V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 3.42Å; M51-V54 PolarHBondContact O-N 3.27Å; L52-V54 PolarHBondContact O-N 3Å; V54-P57 WeakPolarHBondContact O-CD 3.03Å; V54-P57 WeakPolarHBondContact O-CG 3.22Å |
| 55 | F | 87.6 | Confident | 82.6 | Confident | 99 Ų | 99 | 88.5 Ų | 88.5 | 43% | 0.434 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -79.2 | -37.1 | -174.7 | -75.1 | -62.6 | 0 | 0 | 0 | 113.7 | M51 L52 F58 F59 | M51-F55 HydrophobicContact CB-CD2 4.04Å; M51-F55 HydrophobicContact CB-CE2 4.13Å; M51-F55 WeakPolarHBondContact O-CB 3.12Å; M51-F55 WeakPolarHBondContact O-CD2 3.3Å; M51-F55 PolarHBondContact O-N 3.47Å; M51-F55 HydrophobicContact SD-CE2 3.83Å; L52-F55 PolarHBondContact O-N 2.88Å; F55-F58 CarbonylContact O-C 3.45Å; F55-F58 WeakPolarHBondContact O-CA 3.49Å; F55-F58 WeakPolarHBondContact O-CB 3.26Å; F55-F58 PolarHBondContact O-N 3.13Å; F55-F58 VanDerWaalsContact O-N 3.13Å; F55-F59 HydrophobicContact CB-CD2 3.95Å; F55-F59 HydrophobicContact CB-CE2 3.78Å; F55-F59 HydrophobicContact CD1-CE2 4.2Å; F55-F59 HydrophobicContact CG-CE2 4.27Å; F55-F59 WeakPolarHBondContact O-CD2 3.37Å; F55-F59 PolarHBondContact O-N 3.09Å |
| 56 | L | 87.1 | Confident | 81.2 | Confident | 104 Ų | 104 | 90.9 Ų | 90.9 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -54.3 | -50.4 | 178.2 | -92.6 | 97.7 | 0 | 0 | 0 | 113.5 | L52 F58 F59 A60 | L52-L56 VanDerWaalsContact C-CD1 3.47Å; L52-L56 HydrophobicContact CB-CD1 3.64Å; L52-L56 HydrophobicContact CD2-CD1 3.68Å; L52-L56 HydrophobicContact CG-CD1 4.28Å; L52-L56 VanDerWaalsContact O-CB 3.3Å; L52-L56 WeakPolarHBondContact O-CB 3.12Å; L52-L56 WeakPolarHBondContact O-CD1 3.4Å; L52-L56 PolarHBondContact O-N 2.69Å; L56-F58 VanDerWaalsContact C-N 3.29Å; L56-F58 PolarHBondContact O-N 3.13Å; L56-F59 PolarHBondContact O-N 3.29Å; L56-A60 VanDerWaalsContact O-CB 3.23Å; L56-A60 WeakPolarHBondContact O-CB 2.95Å; L56-A60 PolarHBondContact O-N 2.74Å |
| 57 | P | 84.2 | Confident | 79.6 | Confident | 73 Ų | 73 | 99.2 Ų | 99.2 | 47% | 0.474 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.4 | -29.8 | 177.6 | 25.7 | -33.3 | 0 | 0 | 0 | 112.4 | T53 V54 K61 | T53-P57 WeakPolarHBondContact O-CD 3.37Å; T53-P57 WeakPolarHBondContact O-CG 3.43Å; V54-P57 WeakPolarHBondContact O-CD 3.03Å; V54-P57 WeakPolarHBondContact O-CG 3.22Å; P57-K61 VanDerWaalsContact O-CG 3.26Å; P57-K61 WeakPolarHBondContact O-CG 3.27Å; P57-K61 PolarHBondContact O-N 3.44Å; P57-K61 VanDerWaalsContact O-N 3.13Å |
| 58 | F | 82.8 | Confident | 77.9 | Confident | 107 Ų | 107 | 104.1 Ų | 104.1 | 47% | 0.469 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -56 | 172.1 | -173.6 | -92.1 | 0 | 0 | 0 | 109.9 | F55 L56 A60 K61 Y62 | F55-F58 CarbonylContact O-C 3.45Å; F55-F58 WeakPolarHBondContact O-CA 3.49Å; F55-F58 WeakPolarHBondContact O-CB 3.26Å; F55-F58 PolarHBondContact O-N 3.13Å; F55-F58 VanDerWaalsContact O-N 3.13Å; L56-F58 VanDerWaalsContact C-N 3.29Å; L56-F58 PolarHBondContact O-N 3.13Å; F58-A60 VanDerWaalsContact C-N 3.33Å; F58-A60 PolarHBondContact O-N 3.24Å; F58-K61 WeakPolarHBondContact O-CB 3.05Å; F58-K61 PolarHBondContact O-N 3.15Å; F58-Y62 AromaticContact CD1-CD2 3.79Å; F58-Y62 HydrophobicContact CD1-CD2 3.79Å; F58-Y62 AromaticContact CD1-CE2 3.72Å; F58-Y62 HydrophobicContact CD1-CE2 3.72Å; F58-Y62 HydrophobicContact CD2-CD2 4.48Å; F58-Y62 AromaticContact CD2-CE2 3.68Å; F58-Y62 HydrophobicContact CD2-CE2 3.68Å; F58-Y62 AromaticContact CE1-CD2 3.68Å; F58-Y62 HydrophobicContact CE1-CD2 3.68Å; F58-Y62 AromaticContact CE1-CE2 3.43Å; F58-Y62 HydrophobicContact CE1-CE2 3.43Å; F58-Y62 VanDerWaalsContact CE1-CE2 3.43Å; F58-Y62 HydrophobicContact CE2-CD2 4.4Å; F58-Y62 AromaticContact CE2-CE2 3.4Å; F58-Y62 HydrophobicContact CE2-CE2 3.4Å; F58-Y62 VanDerWaalsContact CE2-CE2 3.4Å; F58-Y62 AromaticContact CE2-CZ 3.98Å; F58-Y62 HydrophobicContact CG-CD2 4.19Å; F58-Y62 AromaticContact CG-CE2 3.84Å; F58-Y62 HydrophobicContact CG-CE2 3.84Å; F58-Y62 HydrophobicContact CZ-CD2 4.01Å; F58-Y62 AromaticContact CZ-CE2 3.26Å; F58-Y62 HydrophobicContact CZ-CE2 3.26Å; F58-Y62 AromaticContact CZ-CZ 3.84Å; F58-Y62 WeakPolarHBondContact O-CD2 3.23Å; F58-Y62 PolarHBondContact O-N 3.42Å |
| 59 | F | 84.3 | Confident | 75.7 | Confident | 129 Ų | 129 | 104.1 Ų | 104.1 | 57% | 0.566 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.6 | -39.1 | 176.8 | -71.4 | -60.9 | 0 | 0 | 0 | 112.7 | F55 L56 K61 Y62 A63 | F55-F59 HydrophobicContact CB-CD2 3.95Å; F55-F59 HydrophobicContact CB-CE2 3.78Å; F55-F59 HydrophobicContact CD1-CE2 4.2Å; F55-F59 HydrophobicContact CG-CE2 4.27Å; F55-F59 WeakPolarHBondContact O-CD2 3.37Å; F55-F59 PolarHBondContact O-N 3.09Å; L56-F59 PolarHBondContact O-N 3.29Å; F59-K61 PolarHBondContact O-N 3.35Å; F59-Y62 CarbonylContact O-C 3.57Å; F59-Y62 PolarHBondContact O-N 3.03Å; F59-Y62 VanDerWaalsContact O-N 3.15Å; F59-A63 VanDerWaalsContact O-CB 3.27Å; F59-A63 WeakPolarHBondContact O-CB 3.37Å; F59-A63 PolarHBondContact O-N 2.82Å |
| 60 | A | 83.5 | Confident | 73.9 | Confident | 67 Ų | 67 | 108.6 Ų | 108.6 | 55% | 0.554 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.7 | -25.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L56 F58 | L56-A60 VanDerWaalsContact O-CB 3.23Å; L56-A60 WeakPolarHBondContact O-CB 2.95Å; L56-A60 PolarHBondContact O-N 2.74Å; F58-A60 VanDerWaalsContact C-N 3.33Å; F58-A60 PolarHBondContact O-N 3.24Å |
| 61 | K | 76.1 | Confident | 72.3 | Confident | 167 Ų | 167 | 113.2 Ų | 113.2 | 73% | 0.726 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.9 | -37.6 | 173.8 | -76 | -79.2 | -173.2 | 165 | 0 | 112.7 | P57 F58 F59 | P57-K61 VanDerWaalsContact O-CG 3.26Å; P57-K61 WeakPolarHBondContact O-CG 3.27Å; P57-K61 PolarHBondContact O-N 3.44Å; P57-K61 VanDerWaalsContact O-N 3.13Å; F58-K61 WeakPolarHBondContact O-CB 3.05Å; F58-K61 PolarHBondContact O-N 3.15Å; F59-K61 PolarHBondContact O-N 3.35Å |
| 62 | Y | 77.4 | Confident | 70.4 | Confident | 163 Ų | 163 | 113.9 Ų | 113.9 | 64% | 0.639 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -89.7 | -15 | 179.5 | -62.3 | -77.7 | 0 | 0 | 0 | 113.6 | F58 F59 | F58-Y62 AromaticContact CD1-CD2 3.79Å; F58-Y62 HydrophobicContact CD1-CD2 3.79Å; F58-Y62 AromaticContact CD1-CE2 3.72Å; F58-Y62 HydrophobicContact CD1-CE2 3.72Å; F58-Y62 HydrophobicContact CD2-CD2 4.48Å; F58-Y62 AromaticContact CD2-CE2 3.68Å; F58-Y62 HydrophobicContact CD2-CE2 3.68Å; F58-Y62 AromaticContact CE1-CD2 3.68Å; F58-Y62 HydrophobicContact CE1-CD2 3.68Å; F58-Y62 AromaticContact CE1-CE2 3.43Å; F58-Y62 HydrophobicContact CE1-CE2 3.43Å; F58-Y62 VanDerWaalsContact CE1-CE2 3.43Å; F58-Y62 HydrophobicContact CE2-CD2 4.4Å; F58-Y62 AromaticContact CE2-CE2 3.4Å; F58-Y62 HydrophobicContact CE2-CE2 3.4Å; F58-Y62 VanDerWaalsContact CE2-CE2 3.4Å; F58-Y62 AromaticContact CE2-CZ 3.98Å; F58-Y62 HydrophobicContact CG-CD2 4.19Å; F58-Y62 AromaticContact CG-CE2 3.84Å; F58-Y62 HydrophobicContact CG-CE2 3.84Å; F58-Y62 HydrophobicContact CZ-CD2 4.01Å; F58-Y62 AromaticContact CZ-CE2 3.26Å; F58-Y62 HydrophobicContact CZ-CE2 3.26Å; F58-Y62 AromaticContact CZ-CZ 3.84Å; F58-Y62 WeakPolarHBondContact O-CD2 3.23Å; F58-Y62 PolarHBondContact O-N 3.42Å; F59-Y62 CarbonylContact O-C 3.57Å; F59-Y62 PolarHBondContact O-N 3.03Å; F59-Y62 VanDerWaalsContact O-N 3.15Å |
| 63 | A | 74.9 | Confident | 69 | Low | 47 Ų | 47 | 116.2 Ų | 116.2 | 39% | 0.388 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -61 | 131.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | F59 K65 | F59-A63 VanDerWaalsContact O-CB 3.27Å; F59-A63 WeakPolarHBondContact O-CB 3.37Å; F59-A63 PolarHBondContact O-N 2.82Å; A63-K65 PolarHBondContact O-N 3.28Å |
| 64 | P | 63.8 | Low | 67.3 | Low | 101 Ų | 101 | 118.4 Ų | 118.4 | 66% | 0.656 | 64% | 0.635 | S | S | * | * | trans | -57.9 | 129.8 | 174.5 | 23.4 | -30.8 | 0 | 0 | 0 | 108.6 | E66 | P64-E66 PolarHBondContact O-N 2.87Š| ||
| 65 | K | 58.8 | Low | 66 | Low | 152 Ų | 152 | 120.5 Ų | 120.5 | 66% | 0.661 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -72.9 | 21.9 | -174 | -61.9 | -155.9 | 168.8 | 63.5 | 0 | 114.1 | A63 Q67 L68 | A63-K65 PolarHBondContact O-N 3.28Å; K65-Q67 PolarHBondContact O-N 3.27Å; K65-L68 PolarHBondContact O-N 3.25Å |
| 66 | E | 57.6 | Low | 64.9 | Low | 174 Ų | 174 | 124 Ų | 124 | 81% | 0.813 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -69.7 | -15.3 | 179.7 | -62.8 | -161.4 | 102 | 0 | 0 | 112.7 | P64 | P64-E66 PolarHBondContact O-N 2.87Š|
| 67 | Q | 51.6 | Low | 63.4 | Low | 193 Ų | 193 | 130.5 Ų | 130.5 | 90% | 0.902 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -97.4 | -0.2 | 175.6 | -61 | -166.9 | -74.8 | 0 | 0 | 114.9 | K65 S69 | K65-Q67 PolarHBondContact O-N 3.27Å; Q67-S69 VanDerWaalsContact C-N 3.26Å |
| 68 | L | 48.6 | Very low | 62.4 | Low | 149 Ų | 149 | 133.4 Ų | 133.4 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | trans | -97.7 | 35.6 | 166.7 | -157.3 | 79.8 | 0 | 0 | 0 | 110.2 | K65 | K65-L68 PolarHBondContact O-N 3.25Š| ||
| 69 | S | 43.6 | Very low | 61.3 | Low | 80 Ų | 80 | 134.8 Ų | 134.8 | 56% | 0.559 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -79.5 | 118.4 | 156 | -168.9 | 0 | 0 | 0 | 0 | 105.9 | Q67 T71 | Q67-S69 VanDerWaalsContact C-N 3.26Å; S69-T71 VanDerWaalsContact C-N 3.32Å; S69-T71 PolarHBondContact O-N 2.89Å |
| 70 | P | 51.6 | Low | 60 | Low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | trans | -62.2 | 105.6 | 167.3 | 27.1 | -27.8 | 0 | 0 | 0 | 104.6 | P72 | P70-P72 WeakPolarHBondContact O-CD 3.09Š| ||
| 71 | T | 53.4 | Low | 58.6 | Low | 125 Ų | 125 | 139.1 Ų | 139.1 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | trans | -50.7 | 113 | 169.7 | -41 | 0 | 0 | 0 | 0 | 105.6 | S69 L73 | S69-T71 VanDerWaalsContact C-N 3.32Å; S69-T71 PolarHBondContact O-N 2.89Å; T71-L73 PolarHBondContact O-N 2.98Å | ||
| 72 | P | 48.6 | Very low | 57.5 | Low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | -62.5 | 116.4 | 167.4 | 11.5 | -2.8 | 0 | 0 | 0 | 104 | P70 P74 | P70-P72 WeakPolarHBondContact O-CD 3.09Å; P72-P74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | L | 59.4 | Low | 56.2 | Low | 142 Ų | 142 | 135.7 Ų | 135.7 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -39.6 | 123.5 | 162.8 | -167.4 | 172.4 | 0 | 0 | 0 | 106.2 | T71 T75 | T71-L73 PolarHBondContact O-N 2.98Å; L73-T75 VanDerWaalsContact C-N 3.32Å; L73-T75 PolarHBondContact O-N 2.77Å | ||
| 74 | P | 53.2 | Low | 54.9 | Low | 111 Ų | 111 | 142 Ų | 142 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -61.5 | 102.5 | 178.5 | 23.9 | -30.9 | 0 | 0 | 0 | 107.4 | P72 L76 | P72-P74 VanDerWaalsContact O-N 3.16Å; P74-L76 PolarHBondContact O-N 3.18Å | ||
| 75 | T | 59 | Low | 54.2 | Low | 130 Ų | 130 | 145.2 Ų | 145.2 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -59.7 | 108 | 164.7 | -2.9 | 0 | 0 | 0 | 0 | 105.8 | L73 L77 | L73-T75 VanDerWaalsContact C-N 3.32Å; L73-T75 PolarHBondContact O-N 2.77Å; T75-L77 PolarHBondContact O-N 3Å | ||
| 76 | L | 64.2 | Low | 53.8 | Low | 173 Ų | 173 | 144.6 Ų | 144.6 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -33.5 | 115.2 | 162.8 | -98.7 | 133.8 | 0 | 0 | 0 | 110.9 | P74 | P74-L76 PolarHBondContact O-N 3.18Š| ||
| 77 | L | 54.7 | Low | 53.4 | Low | 240 Ų | 240 | 141.9 Ų | 141.9 | 100% | 1.257 | 80% | 0.804 | S | S | * | * | trans | -143.2 | 0 | 152.1 | -107 | 167.7 | 0 | 0 | 0 | 108.2 | T75 | T75-L77 PolarHBondContact O-N 3Š|
Retrieved 77 of 77 residues in 29.2 ms
(Link to these results)