| 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 | F | 58.3 | Low | 84.4 | Confident | 238 Ų | 238 | 113 Ų | 113 | 100% | 1.044 | 62% | 0.617 | S | S | * | * | 0 | -54.2 | 0 | -107.9 | -90.1 | 0 | 0 | 0 | 113 | F3 A4 G5 | F1-F3 PolarHBondContact O-N 3.47Å; F1-A4 PolarHBondContact O-N 2.67Å; F1-G5 PolarHBondContact O-N 3.42Å | |||
| 2 | L | 67 | Low | 85.2 | Confident | 160 Ų | 160 | 110.3 Ų | 110.3 | 84% | 0.838 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.2 | -45.6 | -177.4 | -109.8 | 153.6 | 0 | 0 | 0 | 114.8 | G5 A6 | L2-G5 PolarHBondContact O-N 3.44Å; L2-A6 WeakPolarHBondContact O-CB 3.39Å; L2-A6 PolarHBondContact O-N 3.08Å |
| 3 | F | 76.1 | Confident | 85.9 | Confident | 181 Ų | 181 | 105.8 Ų | 105.8 | 79% | 0.794 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.2 | -45.8 | 178.4 | -108.2 | -86.4 | 0 | 0 | 0 | 113 | F1 G5 A6 V7 | F1-F3 PolarHBondContact O-N 3.47Å; F3-G5 PolarHBondContact O-N 2.97Å; F3-A6 PolarHBondContact O-N 2.95Å; F3-V7 WeakPolarHBondContact O-CG2 3.36Å; F3-V7 PolarHBondContact O-N 3.25Å |
| 4 | A | 79.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 102.9 Ų | 102.9 | 59% | 0.587 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.5 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1 V7 F8 | F1-A4 PolarHBondContact O-N 2.67Å; A4-V7 PolarHBondContact O-N 2.82Å; A4-F8 PolarHBondContact O-N 2.8Å; A4-F8 VanDerWaalsContact O-N 3.09Å |
| 5 | G | 87.6 | Confident | 87.2 | Confident | 32 Ų | 32 | 99.6 Ų | 99.6 | 33% | 0.33 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.5 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1 L2 F3 F8 L9 | F1-G5 PolarHBondContact O-N 3.42Å; L2-G5 PolarHBondContact O-N 3.44Å; F3-G5 PolarHBondContact O-N 2.97Å; G5-F8 PolarHBondContact O-N 3.29Å; G5-L9 WeakPolarHBondContact O-CB 3.37Å; G5-L9 WeakPolarHBondContact O-CG 3.34Å; G5-L9 PolarHBondContact O-N 2.85Å |
| 6 | A | 90.8 | Very high | 87.7 | Confident | 48 Ų | 48 | 96.3 Ų | 96.3 | 40% | 0.397 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.6 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2 F3 F8 L9 T10 | L2-A6 WeakPolarHBondContact O-CB 3.39Å; L2-A6 PolarHBondContact O-N 3.08Å; F3-A6 PolarHBondContact O-N 2.95Å; A6-F8 VanDerWaalsContact C-N 3.35Å; A6-F8 PolarHBondContact O-N 3.46Å; A6-L9 PolarHBondContact O-N 3.18Å; A6-T10 WeakPolarHBondContact O-CB 3.46Å; A6-T10 VanDerWaalsContact O-CG2 3.28Å; A6-T10 WeakPolarHBondContact O-CG2 3.38Å; A6-T10 PolarHBondContact O-N 3.06Å; A6-T10 PolarHBondContact O-OG1 2.92Å |
| 7 | V | 93.9 | Very high | 88.1 | Confident | 88 Ų | 88 | 98.9 Ų | 98.9 | 53% | 0.533 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.2 | -42.3 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 111 | F3 A4 T10 T11 | F3-V7 WeakPolarHBondContact O-CG2 3.36Å; F3-V7 PolarHBondContact O-N 3.25Å; A4-V7 PolarHBondContact O-N 2.82Å; V7-T10 WeakPolarHBondContact CA-OG1 2.91Å; V7-T10 PolarHBondContact O-OG1 3.13Å; V7-T11 WeakPolarHBondContact O-CB 3.48Å; V7-T11 PolarHBondContact O-N 3.48Å; V7-T11 VanDerWaalsContact O-N 3.1Å; V7-T11 PolarHBondContact O-OG1 3.08Å |
| 8 | F | 93.4 | Very high | 88.4 | Confident | 139 Ų | 139 | 100.7 Ų | 100.7 | 61% | 0.61 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.1 | -50.3 | 177.3 | 178.2 | -101.8 | 0 | 0 | 0 | 112.1 | A4 G5 A6 T10 T11 V12 | A4-F8 PolarHBondContact O-N 2.8Å; A4-F8 VanDerWaalsContact O-N 3.09Å; G5-F8 PolarHBondContact O-N 3.29Å; A6-F8 VanDerWaalsContact C-N 3.35Å; A6-F8 PolarHBondContact O-N 3.46Å; F8-T10 PolarHBondContact O-N 3.49Å; F8-T11 PolarHBondContact O-N 3.42Å; F8-V12 HydrophobicContact CE1-CG2 4.35Å; F8-V12 HydrophobicContact CE2-CG2 4.3Å; F8-V12 HydrophobicContact CZ-CG2 4Å; F8-V12 PolarHBondContact O-N 3.1Å |
| 9 | L | 93.7 | Very high | 88.8 | Confident | 114 Ų | 114 | 98.4 Ų | 98.4 | 60% | 0.597 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.6 | -40.4 | -177.4 | -73.3 | 170.2 | 0 | 0 | 0 | 112.6 | G5 A6 V12 A13 | G5-L9 WeakPolarHBondContact O-CB 3.37Å; G5-L9 WeakPolarHBondContact O-CG 3.34Å; G5-L9 PolarHBondContact O-N 2.85Å; A6-L9 PolarHBondContact O-N 3.18Å; L9-V12 PolarHBondContact O-N 2.83Å; L9-A13 WeakPolarHBondContact O-CB 3.33Å; L9-A13 PolarHBondContact O-N 3.38Å |
| 10 | T | 93.3 | Very high | 89 | Confident | 83 Ų | 83 | 95.4 Ų | 95.4 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.2 | -44 | 175.5 | 48.4 | 0 | 0 | 0 | 0 | 111 | A6 V7 F8 A13 S14 | A6-T10 WeakPolarHBondContact O-CB 3.46Å; A6-T10 VanDerWaalsContact O-CG2 3.28Å; A6-T10 WeakPolarHBondContact O-CG2 3.38Å; A6-T10 PolarHBondContact O-N 3.06Å; A6-T10 PolarHBondContact O-OG1 2.92Å; V7-T10 WeakPolarHBondContact CA-OG1 2.91Å; V7-T10 PolarHBondContact O-OG1 3.13Å; F8-T10 PolarHBondContact O-N 3.49Å; T10-A13 PolarHBondContact O-N 3.32Å; T10-S14 WeakPolarHBondContact O-CB 3.37Å; T10-S14 PolarHBondContact O-N 2.96Å; T10-S14 PolarHBondContact O-OG 3.31Å; T10-S14 VanDerWaalsContact O-OG 3.05Å |
| 11 | T | 94.8 | Very high | 89.1 | Confident | 89 Ų | 89 | 96.7 Ų | 96.7 | 55% | 0.546 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -47.8 | 177.7 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | V7 F8 A13 S14 A15 | V7-T11 WeakPolarHBondContact O-CB 3.48Å; V7-T11 PolarHBondContact O-N 3.48Å; V7-T11 VanDerWaalsContact O-N 3.1Å; V7-T11 PolarHBondContact O-OG1 3.08Å; F8-T11 PolarHBondContact O-N 3.42Å; T11-A13 PolarHBondContact O-N 3.44Å; T11-S14 PolarHBondContact O-N 3.04Å; T11-A15 VanDerWaalsContact O-CB 3.23Å; T11-A15 WeakPolarHBondContact O-CB 3.45Å; T11-A15 PolarHBondContact O-N 3.45Å |
| 12 | V | 94.1 | Very high | 90.7 | Very high | 80 Ų | 80 | 87 Ų | 87 | 49% | 0.485 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 177.6 | 137.9 | 0 | 0 | 0 | 0 | 111.7 | F8 L9 A15 G16 | F8-V12 HydrophobicContact CE1-CG2 4.35Å; F8-V12 HydrophobicContact CE2-CG2 4.3Å; F8-V12 HydrophobicContact CZ-CG2 4Å; F8-V12 PolarHBondContact O-N 3.1Å; L9-V12 PolarHBondContact O-N 2.83Å; V12-A15 PolarHBondContact O-N 3.35Å; V12-G16 PolarHBondContact O-N 2.88Å |
| 13 | A | 94.1 | Very high | 91.8 | Very high | 52 Ų | 52 | 83 Ų | 83 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L9 T10 T11 G16 M17 | L9-A13 WeakPolarHBondContact O-CB 3.33Å; L9-A13 PolarHBondContact O-N 3.38Å; T10-A13 PolarHBondContact O-N 3.32Å; T11-A13 PolarHBondContact O-N 3.44Å; A13-G16 PolarHBondContact O-N 3.09Å; A13-M17 PolarHBondContact O-N 3.46Å |
| 14 | S | 94.3 | Very high | 92.5 | Very high | 65 Ų | 65 | 79.1 Ų | 79.1 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 175.4 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | T10 T11 G16 M17 I18 | T10-S14 WeakPolarHBondContact O-CB 3.37Å; T10-S14 PolarHBondContact O-N 2.96Å; T10-S14 PolarHBondContact O-OG 3.31Å; T10-S14 VanDerWaalsContact O-OG 3.05Å; T11-S14 PolarHBondContact O-N 3.04Å; S14-G16 VanDerWaalsContact C-N 3.35Å; S14-G16 PolarHBondContact O-N 3.02Å; S14-M17 PolarHBondContact O-N 3.26Å; S14-I18 VanDerWaalsContact O-CG1 3.32Å; S14-I18 WeakPolarHBondContact O-CG1 3.44Å; S14-I18 PolarHBondContact O-N 3.38Å |
| 15 | A | 96.3 | Very high | 92.8 | Very high | 54 Ų | 54 | 79.1 Ų | 79.1 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T11 V12 I18 A19 | T11-A15 VanDerWaalsContact O-CB 3.23Å; T11-A15 WeakPolarHBondContact O-CB 3.45Å; T11-A15 PolarHBondContact O-N 3.45Å; V12-A15 PolarHBondContact O-N 3.35Å; A15-I18 PolarHBondContact O-N 2.73Å; A15-A19 VanDerWaalsContact O-CB 3.24Å; A15-A19 WeakPolarHBondContact O-CB 3.35Å; A15-A19 PolarHBondContact O-N 3.1Å |
| 16 | G | 95.5 | Very high | 92.8 | Very high | 46 Ų | 46 | 80.5 Ų | 80.5 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V12 A13 S14 G20 | V12-G16 PolarHBondContact O-N 2.88Å; A13-G16 PolarHBondContact O-N 3.09Å; S14-G16 VanDerWaalsContact C-N 3.35Å; S14-G16 PolarHBondContact O-N 3.02Å; G16-G20 PolarHBondContact O-N 2.81Å |
| 17 | M | 94.6 | Very high | 92.6 | Very high | 141 Ų | 141 | 84.1 Ų | 84.1 | 70% | 0.695 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -48 | 174.1 | -107.6 | -173.5 | -100.2 | 0 | 0 | 112 | A13 S14 F21 | A13-M17 PolarHBondContact O-N 3.46Å; S14-M17 PolarHBondContact O-N 3.26Å; M17-F21 VanDerWaalsContact O-CB 3.28Å; M17-F21 WeakPolarHBondContact O-CB 3.41Å; M17-F21 PolarHBondContact O-N 2.78Å |
| 18 | I | 94.4 | Very high | 92.2 | Very high | 131 Ų | 131 | 82 Ų | 82 | 67% | 0.672 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -47.5 | 179.5 | -67 | 166.7 | 0 | 0 | 0 | 110.2 | S14 A15 G22 | S14-I18 VanDerWaalsContact O-CG1 3.32Å; S14-I18 WeakPolarHBondContact O-CG1 3.44Å; S14-I18 PolarHBondContact O-N 3.38Å; A15-I18 PolarHBondContact O-N 2.73Å; I18-G22 WeakPolarHBondContact O-CA 3.28Å; I18-G22 PolarHBondContact O-N 3.48Å |
| 19 | A | 95.1 | Very high | 91.7 | Very high | 57 Ų | 57 | 81.2 Ų | 81.2 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A15 S23 | A15-A19 VanDerWaalsContact O-CB 3.24Å; A15-A19 WeakPolarHBondContact O-CB 3.35Å; A15-A19 PolarHBondContact O-N 3.1Å; A19-S23 WeakPolarHBondContact O-CB 3.48Å; A19-S23 PolarHBondContact O-N 2.9Å; A19-S23 PolarHBondContact O-OG 3.35Å |
| 20 | G | 93.6 | Very high | 91.3 | Very high | 39 Ų | 39 | 84.5 Ų | 84.5 | 40% | 0.402 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -55.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G16 G22 S23 T24 | G16-G20 PolarHBondContact O-N 2.81Å; G20-G22 PolarHBondContact O-N 3.5Å; G20-S23 PolarHBondContact O-N 3.49Å; G20-T24 PolarHBondContact O-N 3.26Å; G20-T24 VanDerWaalsContact O-N 3.08Å; G20-T24 PolarHBondContact O-OG1 2.95Å |
| 21 | F | 90.8 | Very high | 90.7 | Very high | 123 Ų | 123 | 89.5 Ų | 89.5 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | -179.2 | -173.2 | -109.9 | 0 | 0 | 0 | 112.1 | M17 S23 T24 L25 | M17-F21 VanDerWaalsContact O-CB 3.28Å; M17-F21 WeakPolarHBondContact O-CB 3.41Å; M17-F21 PolarHBondContact O-N 2.78Å; F21-S23 PolarHBondContact O-N 2.99Å; F21-T24 PolarHBondContact O-N 3.46Å; F21-L25 HydrophobicContact CD1-CD1 3.59Å; F21-L25 HydrophobicContact CD1-CG 4.46Å; F21-L25 HydrophobicContact CE1-CD1 3.31Å; F21-L25 HydrophobicContact CE1-CG 4.17Å; F21-L25 HydrophobicContact CG-CD1 4.42Å; F21-L25 HydrophobicContact CZ-CD1 3.93Å; F21-L25 HydrophobicContact CZ-CG 4.35Å; F21-L25 PolarHBondContact O-N 2.77Å |
| 22 | G | 92.5 | Very high | 89.7 | Confident | 35 Ų | 35 | 87.4 Ų | 87.4 | 36% | 0.361 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I18 G20 L25 A26 | I18-G22 WeakPolarHBondContact O-CA 3.28Å; I18-G22 PolarHBondContact O-N 3.48Å; G20-G22 PolarHBondContact O-N 3.5Å; G22-L25 PolarHBondContact O-N 3.36Å; G22-A26 WeakPolarHBondContact O-CB 3.42Å; G22-A26 PolarHBondContact O-N 3.45Å |
| 23 | S | 90.3 | Very high | 88.8 | Confident | 76 Ų | 76 | 87.1 Ų | 87.1 | 53% | 0.531 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 176.8 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | A19 G20 F21 A26 L27 | A19-S23 WeakPolarHBondContact O-CB 3.48Å; A19-S23 PolarHBondContact O-N 2.9Å; A19-S23 PolarHBondContact O-OG 3.35Å; G20-S23 PolarHBondContact O-N 3.49Å; F21-S23 PolarHBondContact O-N 2.99Å; S23-A26 PolarHBondContact O-N 3.34Å; S23-L27 WeakPolarHBondContact O-CB 3.38Å; S23-L27 PolarHBondContact O-N 2.92Å |
| 24 | T | 89.4 | Confident | 87.8 | Confident | 99 Ų | 99 | 90.7 Ų | 90.7 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 174.7 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | G20 F21 L27 A28 | G20-T24 PolarHBondContact O-N 3.26Å; G20-T24 VanDerWaalsContact O-N 3.08Å; G20-T24 PolarHBondContact O-OG1 2.95Å; F21-T24 PolarHBondContact O-N 3.46Å; T24-L27 PolarHBondContact O-N 2.91Å; T24-A28 WeakPolarHBondContact O-CB 3.37Å; T24-A28 PolarHBondContact O-N 2.87Å |
| 25 | L | 86.4 | Confident | 86.5 | Confident | 71 Ų | 71 | 96.7 Ų | 96.7 | 37% | 0.372 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.5 | -84 | 166 | 0 | 0 | 0 | 112.4 | F21 G22 L27 A28 K29 F36 | F21-L25 HydrophobicContact CD1-CD1 3.59Å; F21-L25 HydrophobicContact CD1-CG 4.46Å; F21-L25 HydrophobicContact CE1-CD1 3.31Å; F21-L25 HydrophobicContact CE1-CG 4.17Å; F21-L25 HydrophobicContact CG-CD1 4.42Å; F21-L25 HydrophobicContact CZ-CD1 3.93Å; F21-L25 HydrophobicContact CZ-CG 4.35Å; F21-L25 PolarHBondContact O-N 2.77Å; G22-L25 PolarHBondContact O-N 3.36Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 2.78Å; L25-A28 PolarHBondContact O-N 3.23Å; L25-K29 WeakPolarHBondContact O-CB 3.41Å; L25-K29 PolarHBondContact O-N 3.07Å; L25-F36 HydrophobicContact CD2-CE2 3.8Å; L25-F36 HydrophobicContact CD2-CZ 4.17Å |
| 26 | A | 87.4 | Confident | 85.5 | Confident | 60 Ų | 60 | 96.9 Ų | 96.9 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G22 S23 K29 K30 | G22-A26 WeakPolarHBondContact O-CB 3.42Å; G22-A26 PolarHBondContact O-N 3.45Å; S23-A26 PolarHBondContact O-N 3.34Å; A26-K29 PolarHBondContact O-N 3.21Å; A26-K30 WeakPolarHBondContact O-CB 3.34Å; A26-K30 PolarHBondContact O-N 3.3Å |
| 27 | L | 86.9 | Confident | 84.4 | Confident | 124 Ų | 124 | 98 Ų | 98 | 65% | 0.649 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.5 | -42.1 | 176.6 | -167.9 | 67.6 | 0 | 0 | 0 | 111.6 | S23 T24 L25 K30 K31 | S23-L27 WeakPolarHBondContact O-CB 3.38Å; S23-L27 PolarHBondContact O-N 2.92Å; T24-L27 PolarHBondContact O-N 2.91Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 2.78Å; L27-K30 PolarHBondContact O-N 2.98Å; L27-K31 WeakPolarHBondContact O-CB 3.43Å; L27-K31 PolarHBondContact O-N 3.45Å |
| 28 | A | 84.5 | Confident | 83.3 | Confident | 43 Ų | 43 | 96.4 Ų | 96.4 | 36% | 0.355 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | T24 L25 K30 K31 S32 | T24-A28 WeakPolarHBondContact O-CB 3.37Å; T24-A28 PolarHBondContact O-N 2.87Å; L25-A28 PolarHBondContact O-N 3.23Å; A28-K30 PolarHBondContact O-N 3.48Å; A28-K31 PolarHBondContact O-N 2.97Å; A28-S32 PolarHBondContact O-N 3.27Å; A28-S32 PolarHBondContact O-OG 3.05Å |
| 29 | K | 82.9 | Confident | 82.2 | Confident | 124 Ų | 124 | 91.6 Ų | 91.6 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.1 | -169.1 | -167.7 | -179.2 | -166.9 | 0 | 112.2 | L25 A26 P33 F36 | L25-K29 WeakPolarHBondContact O-CB 3.41Å; L25-K29 PolarHBondContact O-N 3.07Å; A26-K29 PolarHBondContact O-N 3.21Å; K29-P33 WeakPolarHBondContact O-CA 3.41Å; K29-P33 WeakPolarHBondContact O-CD 3.35Å; K29-F36 HydrophobicContact CB-CD1 4.39Å; K29-F36 HydrophobicContact CB-CG 4.39Å; K29-F36 HydrophobicContact CG-CD1 4.04Å; K29-F36 HydrophobicContact CG-CE1 4.32Å; K29-F36 HydrophobicContact CG-CG 4.41Å |
| 30 | K | 85.3 | Confident | 80.9 | Confident | 182 Ų | 182 | 92.6 Ų | 92.6 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.6 | -33.5 | 179.3 | -168 | 177 | 179.3 | -176.6 | 0 | 112.3 | A26 L27 A28 | A26-K30 WeakPolarHBondContact O-CB 3.34Å; A26-K30 PolarHBondContact O-N 3.3Å; L27-K30 PolarHBondContact O-N 2.98Å; A28-K30 PolarHBondContact O-N 3.48Å |
| 31 | K | 82.1 | Confident | 79.8 | Confident | 188 Ų | 188 | 93.1 Ų | 93.1 | 82% | 0.817 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -81.7 | -33.2 | -179.2 | -162.2 | 172.1 | -175.6 | 169.8 | 0 | 113 | L27 A28 | L27-K31 WeakPolarHBondContact O-CB 3.43Å; L27-K31 PolarHBondContact O-N 3.45Å; A28-K31 PolarHBondContact O-N 2.97Å |
| 32 | S | 73.4 | Confident | 78.1 | Confident | 45 Ų | 45 | 90.6 Ų | 90.6 | 32% | 0.315 | 51% | 0.505 | S | S | . | . | trans | -147.3 | 71.4 | -176.4 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | A28 E34 W35 F36 | A28-S32 PolarHBondContact O-N 3.27Å; A28-S32 PolarHBondContact O-OG 3.05Å; S32-E34 PolarHBondContact O-N 2.9Å; S32-W35 PolarHBondContact O-N 2.93Å; S32-F36 VanDerWaalsContact O-CB 3.23Å; S32-F36 WeakPolarHBondContact O-CB 3.39Å; S32-F36 PolarHBondContact O-N 3.48Å | ||
| 33 | P | 73.9 | Confident | 76.3 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | -176 | 24.5 | -33.2 | 0 | 0 | 0 | 113.8 | K29 S37 | K29-P33 WeakPolarHBondContact O-CA 3.41Å; K29-P33 WeakPolarHBondContact O-CD 3.35Å; P33-S37 WeakPolarHBondContact O-CB 3.2Å; P33-S37 PolarHBondContact O-N 2.86Å; P33-S37 PolarHBondContact O-OG 2.82Å |
| 34 | E | 73.1 | Confident | 74.4 | Confident | 127 Ų | 127 | 93.8 Ų | 93.8 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62 | -50.7 | 176.1 | -92.2 | -88.4 | 140.5 | 0 | 0 | 111.9 | S32 S37 K38 | S32-E34 PolarHBondContact O-N 2.9Å; E34-S37 PolarHBondContact O-N 3.44Å; E34-K38 WeakPolarHBondContact O-CG 3.41Å; E34-K38 PolarHBondContact O-N 3.3Å; E34-K38 VanDerWaalsContact O-N 3.15Å; E34-K38 IonicContact OE2-NZ 3.35Å; E34-K38 PolarHBondContact OE2-NZ 3.44Å |
| 35 | W | 67.9 | Low | 72.7 | Confident | 191 Ų | 191 | 96 Ų | 96 | 72% | 0.723 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.6 | -33 | -178.9 | -65.8 | 104.3 | 0 | 0 | 0 | 112.7 | S32 K38 G39 | S32-W35 PolarHBondContact O-N 2.93Å; W35-K38 HydrophobicContact CE3-CD 4.48Å; W35-K38 PolarHBondContact O-N 2.92Å; W35-G39 PolarHBondContact O-N 3.31Å |
| 36 | F | 75.1 | Confident | 71 | Confident | 59 Ų | 59 | 94.7 Ų | 94.7 | 26% | 0.259 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 172.9 | -175.9 | -93.9 | 0 | 0 | 0 | 111.4 | L25 K29 S32 K38 G39 V40 | L25-F36 HydrophobicContact CD2-CE2 3.8Å; L25-F36 HydrophobicContact CD2-CZ 4.17Å; K29-F36 HydrophobicContact CB-CD1 4.39Å; K29-F36 HydrophobicContact CB-CG 4.39Å; K29-F36 HydrophobicContact CG-CD1 4.04Å; K29-F36 HydrophobicContact CG-CE1 4.32Å; K29-F36 HydrophobicContact CG-CG 4.41Å; S32-F36 VanDerWaalsContact O-CB 3.23Å; S32-F36 WeakPolarHBondContact O-CB 3.39Å; S32-F36 PolarHBondContact O-N 3.48Å; F36-K38 VanDerWaalsContact C-N 3.33Å; F36-K38 PolarHBondContact O-N 2.89Å; F36-G39 PolarHBondContact O-N 2.84Å; F36-G39 VanDerWaalsContact O-N 3.12Å; F36-V40 HydrophobicContact CD1-CG2 4.2Å; F36-V40 HydrophobicContact CE1-CG2 3.79Å; F36-V40 HydrophobicContact CE2-CG2 4.32Å; F36-V40 HydrophobicContact CZ-CG2 3.86Å; F36-V40 WeakPolarHBondContact O-CG2 3.38Å; F36-V40 PolarHBondContact O-N 2.76Å |
| 37 | S | 73.3 | Confident | 69.3 | Low | 70 Ų | 70 | 97.6 Ų | 97.6 | 49% | 0.49 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.7 | -37.5 | 179 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | P33 E34 G39 V40 A41 | P33-S37 WeakPolarHBondContact O-CB 3.2Å; P33-S37 PolarHBondContact O-N 2.86Å; P33-S37 PolarHBondContact O-OG 2.82Å; E34-S37 PolarHBondContact O-N 3.44Å; S37-G39 VanDerWaalsContact C-N 3.35Å; S37-V40 PolarHBondContact O-N 3.2Å; S37-A41 WeakPolarHBondContact O-CB 3.17Å; S37-A41 PolarHBondContact O-N 2.99Å |
| 38 | K | 71.4 | Confident | 68 | Low | 107 Ų | 107 | 97.3 Ų | 97.3 | 47% | 0.465 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68 | -31 | 172.5 | -70.4 | 173.5 | -177.6 | 172.1 | 0 | 113.4 | E34 W35 F36 | E34-K38 WeakPolarHBondContact O-CG 3.41Å; E34-K38 PolarHBondContact O-N 3.3Å; E34-K38 VanDerWaalsContact O-N 3.15Å; E34-K38 IonicContact OE2-NZ 3.35Å; E34-K38 PolarHBondContact OE2-NZ 3.44Å; W35-K38 HydrophobicContact CE3-CD 4.48Å; W35-K38 PolarHBondContact O-N 2.92Å; F36-K38 VanDerWaalsContact C-N 3.33Å; F36-K38 PolarHBondContact O-N 2.89Å |
| 39 | G | 70.3 | Confident | 67.4 | Low | 29 Ų | 29 | 96 Ų | 96 | 30% | 0.299 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.6 | -32.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W35 F36 S37 S49 G50 A51 | W35-G39 PolarHBondContact O-N 3.31Å; F36-G39 PolarHBondContact O-N 2.84Å; F36-G39 VanDerWaalsContact O-N 3.12Å; S37-G39 VanDerWaalsContact C-N 3.35Å; G39-S49 PolarHBondContact O-OG 3.43Å; G39-G50 PolarHBondContact O-N 2.86Å; G39-A51 WeakPolarHBondContact O-CB 3.36Å; G39-A51 PolarHBondContact O-N 3.31Å; G39-A51 VanDerWaalsContact O-N 3.1Å |
| 40 | V | 69.4 | Low | 67 | Low | 79 Ų | 79 | 92.4 Ų | 92.4 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -89 | -36.6 | -179.6 | 168.7 | 0 | 0 | 0 | 0 | 112.9 | F36 S37 S49 A51 | F36-V40 HydrophobicContact CD1-CG2 4.2Å; F36-V40 HydrophobicContact CE1-CG2 3.79Å; F36-V40 HydrophobicContact CE2-CG2 4.32Å; F36-V40 HydrophobicContact CZ-CG2 3.86Å; F36-V40 WeakPolarHBondContact O-CG2 3.38Å; F36-V40 PolarHBondContact O-N 2.76Å; S37-V40 PolarHBondContact O-N 3.2Å; V40-S49 WeakPolarHBondContact O-CB 3.48Å; V40-S49 PolarHBondContact O-OG 2.89Å; V40-S49 VanDerWaalsContact O-OG 3.12Å; V40-A51 HydrophobicContact CG2-CB 4.37Å |
| 41 | A | 68.7 | Low | 66.7 | Low | 50 Ų | 50 | 85.2 Ų | 85.2 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -82.1 | 133.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S37 T43 | S37-A41 WeakPolarHBondContact O-CB 3.17Å; S37-A41 PolarHBondContact O-N 2.99Å; A41-T43 PolarHBondContact O-N 3.43Å |
| 42 | A | 56.2 | Low | 66.4 | Low | 69 Ų | 69 | 78.7 Ų | 78.7 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | trans | -65.1 | 120.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 43 | T | 53.8 | Low | 66.8 | Low | 63 Ų | 63 | 82.2 Ų | 82.2 | 39% | 0.387 | 50% | 0.502 | S | S | . | . | B | Isolated β-bridge | trans | -106.6 | 150.3 | 179.7 | 50 | 0 | 0 | 0 | 0 | 109.3 | A41 V45 A46 | A41-T43 PolarHBondContact O-N 3.43Å; T43-V45 PolarHBondContact O-N 2.78Å; T43-A46 CarbonylContact O-C 3.23Å; T43-A46 VanDerWaalsContact O-C 3.23Å; T43-A46 PolarHBondContact O-N 2.85Å |
| 44 | A | 51.3 | Low | 67.4 | Low | 116 Ų | 116 | 81.6 Ų | 81.6 | 96% | 0.959 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -8.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 45 | V | 53.3 | Low | 67.9 | Low | 144 Ų | 144 | 80.5 Ų | 80.5 | 87% | 0.873 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -17.1 | 178.6 | -157.4 | 0 | 0 | 0 | 0 | 112.1 | T43 | T43-V45 PolarHBondContact O-N 2.78Š|
| 46 | A | 50.2 | Low | 68.8 | Low | 45 Ų | 45 | 79.5 Ų | 79.5 | 37% | 0.372 | 50% | 0.497 | S | S | . | . | B | Isolated β-bridge | trans | -139 | 100.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | T43 E48 | T43-A46 CarbonylContact O-C 3.23Å; T43-A46 VanDerWaalsContact O-C 3.23Å; T43-A46 PolarHBondContact O-N 2.85Å; A46-E48 PolarHBondContact O-N 3.44Å |
| 47 | P | 52.1 | Low | 69.6 | Low | 121 Ų | 121 | 79.9 Ų | 79.9 | 79% | 0.786 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -62.6 | -15.4 | -172.8 | 22.7 | -31.9 | 0 | 0 | 0 | 114 | ||
| 48 | E | 59 | Low | 70.3 | Confident | 117 Ų | 117 | 81 Ų | 81 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -113.2 | 122.7 | 173 | -64.5 | -77.6 | 142.9 | 0 | 0 | 109.2 | A46 G50 | A46-E48 PolarHBondContact O-N 3.44Å; E48-G50 PolarHBondContact O-N 3.5Å |
| 49 | S | 71.9 | Confident | 71.2 | Confident | 15 Ų | 15 | 77.9 Ų | 77.9 | 11% | 0.105 | 51% | 0.509 | C | S | . | . | trans | -53.7 | 134.5 | 170.2 | 149.6 | 0 | 0 | 0 | 0 | 110 | G39 V40 A51 S52 L53 | G39-S49 PolarHBondContact O-OG 3.43Å; V40-S49 WeakPolarHBondContact O-CB 3.48Å; V40-S49 PolarHBondContact O-OG 2.89Å; V40-S49 VanDerWaalsContact O-OG 3.12Å; S49-A51 PolarHBondContact O-N 3.05Å; S49-A51 VanDerWaalsContact O-N 3.12Å; S49-A51 WeakPolarHBondContact OG-CB 3.24Å; S49-A51 PolarHBondContact OG-N 3.5Å; S49-S52 WeakPolarHBondContact O-CA 3.24Å; S49-S52 VanDerWaalsContact O-CB 3.24Å; S49-S52 WeakPolarHBondContact O-CB 3.47Å; S49-S52 PolarHBondContact O-N 2.83Å; S49-S52 PolarHBondContact OG-N 3.37Å; S49-L53 PolarHBondContact O-N 2.95Å; S49-L53 VanDerWaalsContact O-N 3.17Å | ||
| 50 | G | 75.6 | Confident | 72.2 | Confident | 49 Ų | 49 | 85.1 Ų | 85.1 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.8 | -28 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G39 E48 A54 | G39-G50 PolarHBondContact O-N 2.86Å; E48-G50 PolarHBondContact O-N 3.5Å; G50-A54 WeakPolarHBondContact O-CB 3.39Å; G50-A54 PolarHBondContact O-N 3.37Å |
| 51 | A | 78.1 | Confident | 73.3 | Confident | 32 Ų | 32 | 83.3 Ų | 83.3 | 26% | 0.264 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G39 V40 S49 A54 L55 | G39-A51 WeakPolarHBondContact O-CB 3.36Å; G39-A51 PolarHBondContact O-N 3.31Å; G39-A51 VanDerWaalsContact O-N 3.1Å; V40-A51 HydrophobicContact CG2-CB 4.37Å; S49-A51 PolarHBondContact O-N 3.05Å; S49-A51 VanDerWaalsContact O-N 3.12Å; S49-A51 WeakPolarHBondContact OG-CB 3.24Å; S49-A51 PolarHBondContact OG-N 3.5Å; A51-A54 PolarHBondContact O-N 3.35Å; A51-L55 VanDerWaalsContact O-CB 3.3Å; A51-L55 WeakPolarHBondContact O-CB 3.16Å; A51-L55 WeakPolarHBondContact O-CG 3.37Å; A51-L55 PolarHBondContact O-N 2.86Å |
| 52 | S | 76.6 | Confident | 74.4 | Confident | 50 Ų | 50 | 84.2 Ų | 84.2 | 35% | 0.35 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 174.6 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | S49 A54 L55 R56 | S49-S52 WeakPolarHBondContact O-CA 3.24Å; S49-S52 VanDerWaalsContact O-CB 3.24Å; S49-S52 WeakPolarHBondContact O-CB 3.47Å; S49-S52 PolarHBondContact O-N 2.83Å; S49-S52 PolarHBondContact OG-N 3.37Å; S52-A54 PolarHBondContact O-N 3.01Å; S52-L55 PolarHBondContact O-N 3.34Å; S52-R56 WeakPolarHBondContact O-CB 3.31Å; S52-R56 PolarHBondContact O-N 3.23Å |
| 53 | L | 80.9 | Confident | 76.1 | Confident | 120 Ų | 120 | 86.3 Ų | 86.3 | 63% | 0.628 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.1 | -45.6 | 177.2 | -159.3 | 91.8 | 0 | 0 | 0 | 111.4 | S49 R56 A57 | S49-L53 PolarHBondContact O-N 2.95Å; S49-L53 VanDerWaalsContact O-N 3.17Å; L53-R56 PolarHBondContact O-N 3.31Å; L53-A57 WeakPolarHBondContact O-CB 3.33Å; L53-A57 PolarHBondContact O-N 3.29Å |
| 54 | A | 86.6 | Confident | 77.9 | Confident | 60 Ų | 60 | 92 Ų | 92 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G50 A51 S52 R56 A57 L58 | G50-A54 WeakPolarHBondContact O-CB 3.39Å; G50-A54 PolarHBondContact O-N 3.37Å; A51-A54 PolarHBondContact O-N 3.35Å; S52-A54 PolarHBondContact O-N 3.01Å; A54-R56 VanDerWaalsContact C-N 3.34Å; A54-A57 PolarHBondContact O-N 2.9Å; A54-L58 WeakPolarHBondContact O-CB 3.23Å; A54-L58 PolarHBondContact O-N 2.75Å |
| 55 | L | 85.1 | Confident | 79.9 | Confident | 105 Ų | 105 | 89 Ų | 89 | 55% | 0.55 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 176.3 | -75.5 | 172 | 0 | 0 | 0 | 111.9 | A51 S52 L58 G59 | A51-L55 VanDerWaalsContact O-CB 3.3Å; A51-L55 WeakPolarHBondContact O-CB 3.16Å; A51-L55 WeakPolarHBondContact O-CG 3.37Å; A51-L55 PolarHBondContact O-N 2.86Å; S52-L55 PolarHBondContact O-N 3.34Å; L55-L58 HydrophobicContact CD2-CD2 4.43Å; L55-L58 PolarHBondContact O-N 3.43Å; L55-G59 PolarHBondContact O-N 3.32Å |
| 56 | R | 85.4 | Confident | 81.8 | Confident | 169 Ų | 169 | 92.4 Ų | 92.4 | 64% | 0.638 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.4 | -45.4 | 175 | -166.2 | 169.4 | 159.1 | 96.5 | -1.5 | 110.6 | S52 L53 A54 L58 G59 W60 | S52-R56 WeakPolarHBondContact O-CB 3.31Å; S52-R56 PolarHBondContact O-N 3.23Å; L53-R56 PolarHBondContact O-N 3.31Å; A54-R56 VanDerWaalsContact C-N 3.34Å; R56-L58 VanDerWaalsContact C-N 3.32Å; R56-L58 PolarHBondContact O-N 2.84Å; R56-G59 PolarHBondContact O-N 2.85Å; R56-W60 PolarHBondContact O-N 2.87Å |
| 57 | A | 93.1 | Very high | 83.8 | Confident | 67 Ų | 67 | 93.9 Ų | 93.9 | 55% | 0.554 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.8 | -42.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | L53 A54 W60 G61 | L53-A57 WeakPolarHBondContact O-CB 3.33Å; L53-A57 PolarHBondContact O-N 3.29Å; A54-A57 PolarHBondContact O-N 2.9Å; A57-W60 PolarHBondContact O-N 2.98Å; A57-G61 PolarHBondContact O-N 3.37Å |
| 58 | L | 87.4 | Confident | 85.7 | Confident | 95 Ų | 95 | 89.6 Ų | 89.6 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 174.6 | -177.7 | 65.9 | 0 | 0 | 0 | 111.4 | A54 L55 R56 G61 S62 | A54-L58 WeakPolarHBondContact O-CB 3.23Å; A54-L58 PolarHBondContact O-N 2.75Å; L55-L58 HydrophobicContact CD2-CD2 4.43Å; L55-L58 PolarHBondContact O-N 3.43Å; R56-L58 VanDerWaalsContact C-N 3.32Å; R56-L58 PolarHBondContact O-N 2.84Å; L58-G61 CarbonylContact O-C 3.49Å; L58-G61 PolarHBondContact O-N 3.3Å; L58-S62 PolarHBondContact O-N 3.46Å; L58-S62 PolarHBondContact O-OG 2.84Å; L58-S62 VanDerWaalsContact O-OG 3.09Å |
| 59 | G | 89.8 | Confident | 87.2 | Confident | 41 Ų | 41 | 88.6 Ų | 88.6 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L55 R56 G61 S62 L63 | L55-G59 PolarHBondContact O-N 3.32Å; R56-G59 PolarHBondContact O-N 2.85Å; G59-G61 VanDerWaalsContact C-N 3.31Å; G59-G61 PolarHBondContact O-N 2.97Å; G59-S62 PolarHBondContact O-N 2.79Å; G59-L63 WeakPolarHBondContact O-CB 3.17Å; G59-L63 PolarHBondContact O-N 3.22Å |
| 60 | W | 92.2 | Very high | 88.1 | Confident | 181 Ų | 181 | 89.5 Ų | 89.5 | 69% | 0.686 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -37.2 | 174.3 | -78.4 | 72.3 | 0 | 0 | 0 | 111.8 | R56 A57 L63 Y64 | R56-W60 PolarHBondContact O-N 2.87Å; A57-W60 PolarHBondContact O-N 2.98Å; W60-L63 PolarHBondContact O-N 2.99Å; W60-Y64 WeakPolarHBondContact O-CB 3.33Å; W60-Y64 PolarHBondContact O-N 3.48Å |
| 61 | G | 92.8 | Very high | 88.9 | Confident | 40 Ų | 40 | 93 Ų | 93 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | A57 L58 G59 Y64 A65 | A57-G61 PolarHBondContact O-N 3.37Å; L58-G61 CarbonylContact O-C 3.49Å; L58-G61 PolarHBondContact O-N 3.3Å; G59-G61 VanDerWaalsContact C-N 3.31Å; G59-G61 PolarHBondContact O-N 2.97Å; G61-Y64 PolarHBondContact O-N 2.89Å; G61-A65 WeakPolarHBondContact O-CB 3.37Å; G61-A65 PolarHBondContact O-N 3.47Å |
| 62 | S | 90.6 | Very high | 89.4 | Confident | 69 Ų | 69 | 96.8 Ų | 96.8 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 175.6 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | L58 G59 A65 W66 | L58-S62 PolarHBondContact O-N 3.46Å; L58-S62 PolarHBondContact O-OG 2.84Å; L58-S62 VanDerWaalsContact O-OG 3.09Å; G59-S62 PolarHBondContact O-N 2.79Å; S62-A65 PolarHBondContact O-N 3.4Å; S62-W66 PolarHBondContact O-N 3.01Å |
| 63 | L | 92.6 | Very high | 89.8 | Confident | 113 Ų | 113 | 98 Ų | 98 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 176.1 | -171.2 | 67.1 | 0 | 0 | 0 | 111.4 | G59 W60 W66 C67 | G59-L63 WeakPolarHBondContact O-CB 3.17Å; G59-L63 PolarHBondContact O-N 3.22Å; W60-L63 PolarHBondContact O-N 2.99Å; L63-W66 PolarHBondContact O-N 3.44Å; L63-C67 WeakPolarHBondContact O-CB 3.43Å; L63-C67 PolarHBondContact O-N 3.37Å |
| 64 | Y | 91.8 | Very high | 89.9 | Confident | 184 Ų | 184 | 95.9 Ų | 95.9 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -39.9 | 175.1 | -172.8 | -99.6 | 0 | 0 | 0 | 111.8 | W60 G61 W66 C67 G68 | W60-Y64 WeakPolarHBondContact O-CB 3.33Å; W60-Y64 PolarHBondContact O-N 3.48Å; G61-Y64 PolarHBondContact O-N 2.89Å; Y64-W66 VanDerWaalsContact C-N 3.35Å; Y64-W66 PolarHBondContact O-N 3.24Å; Y64-C67 PolarHBondContact O-N 3.2Å; Y64-G68 PolarHBondContact O-N 3.37Å |
| 65 | A | 93.4 | Very high | 89.7 | Confident | 52 Ų | 52 | 95.6 Ų | 95.6 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G61 S62 G68 V69 | G61-A65 WeakPolarHBondContact O-CB 3.37Å; G61-A65 PolarHBondContact O-N 3.47Å; S62-A65 PolarHBondContact O-N 3.4Å; A65-G68 PolarHBondContact O-N 3.48Å; A65-V69 WeakPolarHBondContact O-CB 3.3Å; A65-V69 VanDerWaalsContact O-CG2 3.23Å; A65-V69 WeakPolarHBondContact O-CG2 3.4Å; A65-V69 PolarHBondContact O-N 2.79Å |
| 66 | W | 92.4 | Very high | 89.5 | Confident | 216 Ų | 216 | 93.5 Ų | 93.5 | 82% | 0.818 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 176.4 | -122.3 | 3.4 | 0 | 0 | 0 | 112.3 | S62 L63 Y64 G70 | S62-W66 PolarHBondContact O-N 3.01Å; L63-W66 PolarHBondContact O-N 3.44Å; Y64-W66 VanDerWaalsContact C-N 3.35Å; Y64-W66 PolarHBondContact O-N 3.24Å; W66-G70 PolarHBondContact O-N 3.48Å |
| 67 | C | 92.5 | Very high | 88.7 | Confident | 75 Ų | 75 | 93.1 Ų | 93.1 | 51% | 0.507 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 174.9 | -169.6 | 0 | 0 | 0 | 0 | 111.4 | L63 Y64 G70 L71 | L63-C67 WeakPolarHBondContact O-CB 3.43Å; L63-C67 PolarHBondContact O-N 3.37Å; Y64-C67 PolarHBondContact O-N 3.2Å; C67-G70 PolarHBondContact O-N 2.82Å; C67-L71 PolarHBondContact O-N 2.93Å |
| 68 | G | 91.5 | Very high | 87.7 | Confident | 31 Ų | 31 | 98.3 Ų | 98.3 | 32% | 0.32 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y64 A65 G70 L71 L72 | Y64-G68 PolarHBondContact O-N 3.37Å; A65-G68 PolarHBondContact O-N 3.48Å; G68-G70 VanDerWaalsContact C-N 3.3Å; G68-G70 PolarHBondContact O-N 2.97Å; G68-L71 PolarHBondContact O-N 2.65Å; G68-L72 VanDerWaalsContact O-CB 3.3Å; G68-L72 WeakPolarHBondContact O-CB 3.37Å; G68-L72 PolarHBondContact O-N 3.09Å |
| 69 | V | 91.1 | Very high | 86.7 | Confident | 96 Ų | 96 | 98 Ų | 98 | 58% | 0.582 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.5 | -37.6 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | A65 L72 S73 | A65-V69 WeakPolarHBondContact O-CB 3.3Å; A65-V69 VanDerWaalsContact O-CG2 3.23Å; A65-V69 WeakPolarHBondContact O-CG2 3.4Å; A65-V69 PolarHBondContact O-N 2.79Å; V69-L72 PolarHBondContact O-N 2.83Å; V69-S73 WeakPolarHBondContact O-CB 3.23Å; V69-S73 PolarHBondContact O-N 2.89Å |
| 70 | G | 91.3 | Very high | 85.4 | Confident | 35 Ų | 35 | 99.1 Ų | 99.1 | 36% | 0.361 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W66 C67 G68 S73 V74 | W66-G70 PolarHBondContact O-N 3.48Å; C67-G70 PolarHBondContact O-N 2.82Å; G68-G70 VanDerWaalsContact C-N 3.3Å; G68-G70 PolarHBondContact O-N 2.97Å; G70-S73 WeakPolarHBondContact O-CB 3.43Å; G70-S73 PolarHBondContact O-N 3.08Å; G70-V74 WeakPolarHBondContact O-CG2 3.33Å; G70-V74 PolarHBondContact O-N 2.92Å |
| 71 | L | 91.6 | Very high | 83.7 | Confident | 121 Ų | 121 | 93.2 Ų | 93.2 | 63% | 0.634 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 175.6 | -109.6 | 78.4 | 0 | 0 | 0 | 111.9 | C67 G68 S73 V74 A75 | C67-L71 PolarHBondContact O-N 2.93Å; G68-L71 PolarHBondContact O-N 2.65Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-V74 PolarHBondContact O-N 2.92Å; L71-A75 VanDerWaalsContact O-CB 3.24Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 2.94Å |
| 72 | L | 88 | Confident | 81.8 | Confident | 113 Ų | 113 | 92.2 Ų | 92.2 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 177.9 | -138.3 | -179.3 | 0 | 0 | 0 | 110.1 | G68 V69 A75 V76 | G68-L72 VanDerWaalsContact O-CB 3.3Å; G68-L72 WeakPolarHBondContact O-CB 3.37Å; G68-L72 PolarHBondContact O-N 3.09Å; V69-L72 PolarHBondContact O-N 2.83Å; L72-A75 PolarHBondContact O-N 3.3Å; L72-V76 HydrophobicContact CD2-CG2 3.82Å; L72-V76 WeakPolarHBondContact O-CB 3.24Å; L72-V76 VanDerWaalsContact O-CG2 3.24Å; L72-V76 WeakPolarHBondContact O-CG2 3.49Å; L72-V76 PolarHBondContact O-N 3.21Å |
| 73 | S | 85.8 | Confident | 80 | Confident | 75 Ų | 75 | 98.3 Ų | 98.3 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 175 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | V69 G70 L71 V76 W77 | V69-S73 WeakPolarHBondContact O-CB 3.23Å; V69-S73 PolarHBondContact O-N 2.89Å; G70-S73 WeakPolarHBondContact O-CB 3.43Å; G70-S73 PolarHBondContact O-N 3.08Å; L71-S73 VanDerWaalsContact C-N 3.32Å; S73-V76 PolarHBondContact O-N 3.49Å; S73-W77 WeakPolarHBondContact O-CB 3.24Å; S73-W77 PolarHBondContact O-N 3.36Å |
| 74 | V | 83.7 | Confident | 78.2 | Confident | 76 Ų | 76 | 96.1 Ų | 96.1 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | G70 L71 W77 K78 | G70-V74 WeakPolarHBondContact O-CG2 3.33Å; G70-V74 PolarHBondContact O-N 2.92Å; L71-V74 PolarHBondContact O-N 2.92Å; V74-W77 CarbonylContact O-C 3.59Å; V74-W77 WeakPolarHBondContact O-CB 3.41Å; V74-W77 PolarHBondContact O-N 3.44Å; V74-K78 HydrophobicContact CG1-CG 4.34Å; V74-K78 WeakPolarHBondContact O-CB 3.19Å; V74-K78 WeakPolarHBondContact O-CG 3.3Å; V74-K78 PolarHBondContact O-N 2.79Å |
| 75 | A | 82.5 | Confident | 76.5 | Confident | 53 Ų | 53 | 94.2 Ų | 94.2 | 44% | 0.438 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L71 L72 W77 K78 A79 | L71-A75 VanDerWaalsContact O-CB 3.24Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 2.94Å; L72-A75 PolarHBondContact O-N 3.3Å; A75-W77 VanDerWaalsContact C-N 3.32Å; A75-K78 PolarHBondContact O-N 3.34Å; A75-A79 WeakPolarHBondContact O-CB 3.38Å; A75-A79 PolarHBondContact O-N 3.41Å |
| 76 | V | 79.6 | Confident | 74.7 | Confident | 62 Ų | 62 | 94.1 Ų | 94.1 | 38% | 0.376 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 171.5 | 169.1 | 0 | 0 | 0 | 0 | 110.4 | L72 S73 K78 A79 L80 | L72-V76 HydrophobicContact CD2-CG2 3.82Å; L72-V76 WeakPolarHBondContact O-CB 3.24Å; L72-V76 VanDerWaalsContact O-CG2 3.24Å; L72-V76 WeakPolarHBondContact O-CG2 3.49Å; L72-V76 PolarHBondContact O-N 3.21Å; S73-V76 PolarHBondContact O-N 3.49Å; V76-K78 PolarHBondContact O-N 2.87Å; V76-A79 PolarHBondContact O-N 3.37Å; V76-L80 HydrophobicContact CG1-CD1 3.49Å; V76-L80 VanDerWaalsContact CG1-CD1 3.49Å; V76-L80 HydrophobicContact CG1-CG 4.4Å; V76-L80 WeakPolarHBondContact O-CB 3.28Å; V76-L80 WeakPolarHBondContact O-CD1 3.37Å; V76-L80 VanDerWaalsContact O-CG 3.31Å; V76-L80 WeakPolarHBondContact O-CG 3.18Å; V76-L80 PolarHBondContact O-N 3.46Å |
| 77 | W | 69.9 | Low | 73.2 | Confident | 161 Ų | 161 | 88.9 Ų | 88.9 | 61% | 0.61 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -39.2 | 178 | -159.1 | 6.4 | 0 | 0 | 0 | 112.6 | S73 V74 A75 G81 I82 | S73-W77 WeakPolarHBondContact O-CB 3.24Å; S73-W77 PolarHBondContact O-N 3.36Å; V74-W77 CarbonylContact O-C 3.59Å; V74-W77 WeakPolarHBondContact O-CB 3.41Å; V74-W77 PolarHBondContact O-N 3.44Å; A75-W77 VanDerWaalsContact C-N 3.32Å; W77-G81 PolarHBondContact O-N 2.82Å; W77-I82 VanDerWaalsContact CD1-O 3.29Å; W77-I82 PolarHBondContact NE1-O 3.35Å |
| 78 | K | 71.2 | Confident | 71.7 | Confident | 175 Ų | 175 | 89.5 Ų | 89.5 | 76% | 0.761 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -73.6 | -41.3 | 175.5 | -77.1 | -103.2 | 174.9 | 164 | 0 | 113 | V74 A75 V76 L80 G81 | V74-K78 HydrophobicContact CG1-CG 4.34Å; V74-K78 WeakPolarHBondContact O-CB 3.19Å; V74-K78 WeakPolarHBondContact O-CG 3.3Å; V74-K78 PolarHBondContact O-N 2.79Å; A75-K78 PolarHBondContact O-N 3.34Å; V76-K78 PolarHBondContact O-N 2.87Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-G81 PolarHBondContact O-N 3.37Å |
| 79 | A | 67.4 | Low | 70.4 | Confident | 90 Ų | 90 | 94.9 Ų | 94.9 | 74% | 0.744 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.6 | -30.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A75 V76 | A75-A79 WeakPolarHBondContact O-CB 3.38Å; A75-A79 PolarHBondContact O-N 3.41Å; V76-A79 PolarHBondContact O-N 3.37Å |
| 80 | L | 62.5 | Low | 69.1 | Low | 63 Ų | 63 | 96.6 Ų | 96.6 | 33% | 0.33 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -10.6 | 177 | -67.8 | 164.7 | 0 | 0 | 0 | 113.4 | V76 K78 I82 F88 | V76-L80 HydrophobicContact CG1-CD1 3.49Å; V76-L80 VanDerWaalsContact CG1-CD1 3.49Å; V76-L80 HydrophobicContact CG1-CG 4.4Å; V76-L80 WeakPolarHBondContact O-CB 3.28Å; V76-L80 WeakPolarHBondContact O-CD1 3.37Å; V76-L80 VanDerWaalsContact O-CG 3.31Å; V76-L80 WeakPolarHBondContact O-CG 3.18Å; V76-L80 PolarHBondContact O-N 3.46Å; K78-L80 VanDerWaalsContact C-N 3.33Å; L80-I82 HydrophobicContact CB-CB 4.44Å; L80-I82 HydrophobicContact CB-CD1 3.4Å; L80-I82 VanDerWaalsContact CB-CD1 3.4Å; L80-I82 HydrophobicContact CB-CG1 3.54Å; L80-I82 HydrophobicContact CD1-CD1 3.73Å; L80-I82 HydrophobicContact CG-CD1 4.1Å; L80-I82 WeakPolarHBondContact O-CG1 3.19Å; L80-I82 PolarHBondContact O-N 2.96Å; L80-F88 HydrophobicContact CD1-CD2 4.18Å |
| 81 | G | 55.5 | Low | 67.8 | Low | 58 Ų | 58 | 100.8 Ų | 100.8 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 18.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | W77 K78 H83 | W77-G81 PolarHBondContact O-N 2.82Å; K78-G81 PolarHBondContact O-N 3.37Å; G81-H83 PolarHBondContact O-N 3.48Å |
| 82 | I | 52.3 | Low | 66.5 | Low | 18 Ų | 18 | 99 Ų | 99 | 9% | 0.092 | 53% | 0.527 | C | S | . | . | trans | -81.9 | 109.4 | -164.2 | -70 | 177.1 | 0 | 0 | 0 | 110.9 | W77 L80 S84 E87 F88 | W77-I82 VanDerWaalsContact CD1-O 3.29Å; W77-I82 PolarHBondContact NE1-O 3.35Å; L80-I82 HydrophobicContact CB-CB 4.44Å; L80-I82 HydrophobicContact CB-CD1 3.4Å; L80-I82 VanDerWaalsContact CB-CD1 3.4Å; L80-I82 HydrophobicContact CB-CG1 3.54Å; L80-I82 HydrophobicContact CD1-CD1 3.73Å; L80-I82 HydrophobicContact CG-CD1 4.1Å; L80-I82 WeakPolarHBondContact O-CG1 3.19Å; L80-I82 PolarHBondContact O-N 2.96Å; I82-S84 VanDerWaalsContact C-N 3.25Å; I82-S84 WeakPolarHBondContact CG2-O 3.38Å; I82-E87 HydrophobicContact CD1-CB 4.25Å; I82-E87 HydrophobicContact CG1-CB 4.07Å; I82-F88 HydrophobicContact CD1-CB 3.82Å | ||
| 83 | H | 52.6 | Low | 65.3 | Low | 198 Ų | 198 | 97.6 Ų | 97.6 | 92% | 0.917 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -78.6 | -5.5 | 162.3 | -107.4 | -86.4 | 0 | 0 | 0 | 112.7 | G81 | G81-H83 PolarHBondContact O-N 3.48Š|
| 84 | S | 54.8 | Low | 64.2 | Low | 66 Ų | 66 | 98.2 Ų | 98.2 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -157.8 | 134.1 | -176.3 | 177.8 | 0 | 0 | 0 | 0 | 116.3 | I82 A86 E87 | I82-S84 VanDerWaalsContact C-N 3.25Å; I82-S84 WeakPolarHBondContact CG2-O 3.38Å; S84-A86 PolarHBondContact O-N 2.94Å; S84-A86 PolarHBondContact OG-N 2.64Å; S84-E87 PolarHBondContact O-N 3.12Å; S84-E87 VanDerWaalsContact O-N 3.1Å |
| 85 | L | 56.3 | Low | 63 | Low | 144 Ų | 144 | 102.5 Ų | 102.5 | 75% | 0.754 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -47.7 | -19.1 | 173.3 | -80.8 | 171.9 | 0 | 0 | 0 | 115.5 | R89 | L85-R89 WeakPolarHBondContact O-CB 3.42Å; L85-R89 PolarHBondContact O-N 3.36Å; L85-R89 VanDerWaalsContact O-N 3.08Å |
| 86 | A | 56.4 | Low | 61.9 | Low | 51 Ų | 51 | 107.4 Ų | 107.4 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S84 R89 Q90 | S84-A86 PolarHBondContact O-N 2.94Å; S84-A86 PolarHBondContact OG-N 2.64Å; A86-R89 PolarHBondContact O-N 3.12Å; A86-Q90 PolarHBondContact O-N 3.25Å |
| 87 | E | 60 | Low | 60.7 | Low | 106 Ų | 106 | 109.8 Ų | 109.8 | 50% | 0.495 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -74.8 | -36.2 | 179.9 | -78.6 | -172 | 154.2 | 0 | 0 | 112.4 | I82 S84 R89 Q90 K91 | I82-E87 HydrophobicContact CD1-CB 4.25Å; I82-E87 HydrophobicContact CG1-CB 4.07Å; S84-E87 PolarHBondContact O-N 3.12Å; S84-E87 VanDerWaalsContact O-N 3.1Å; E87-R89 VanDerWaalsContact C-N 3.31Å; E87-Q90 PolarHBondContact O-N 3.47Å; E87-K91 WeakPolarHBondContact O-CB 3.44Å; E87-K91 PolarHBondContact O-N 3.17Å |
| 88 | F | 62.6 | Low | 59.8 | Low | 87 Ų | 87 | 105.8 Ų | 105.8 | 38% | 0.382 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.8 | -43.9 | 172.2 | -179.5 | -116.3 | 0 | 0 | 0 | 110.5 | L80 I82 K91 M92 | L80-F88 HydrophobicContact CD1-CD2 4.18Å; I82-F88 HydrophobicContact CD1-CB 3.82Å; F88-K91 PolarHBondContact O-N 2.83Å; F88-M92 HydrophobicContact CD1-CE 3.4Å; F88-M92 HydrophobicContact CD1-SD 4.32Å; F88-M92 HydrophobicContact CE1-CE 3.02Å; F88-M92 HydrophobicContact CE1-CG 4.5Å; F88-M92 HydrophobicContact CE1-SD 3.6Å; F88-M92 HydrophobicContact CE2-CE 4.3Å; F88-M92 HydrophobicContact CE2-CG 4.18Å; F88-M92 HydrophobicContact CE2-SD 3.98Å; F88-M92 HydrophobicContact CG-CE 4.19Å; F88-M92 HydrophobicContact CZ-CE 3.53Å; F88-M92 HydrophobicContact CZ-CG 4.18Å; F88-M92 HydrophobicContact CZ-SD 3.38Å; F88-M92 WeakPolarHBondContact CZ-SD 3.45Å; F88-M92 WeakPolarHBondContact O-CB 3.47Å; F88-M92 WeakPolarHBondContact O-CG 3.39Å; F88-M92 PolarHBondContact O-N 3.41Å |
| 89 | R | 63.8 | Low | 59.1 | Low | 145 Ų | 145 | 105.1 Ų | 105.1 | 55% | 0.547 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.5 | -45.7 | 174.7 | -178.5 | 175.8 | 161 | -104.8 | -9.6 | 111.7 | L85 A86 E87 K91 M92 E93 | L85-R89 WeakPolarHBondContact O-CB 3.42Å; L85-R89 PolarHBondContact O-N 3.36Å; L85-R89 VanDerWaalsContact O-N 3.08Å; A86-R89 PolarHBondContact O-N 3.12Å; E87-R89 VanDerWaalsContact C-N 3.31Å; R89-K91 PolarHBondContact O-N 3.05Å; R89-M92 PolarHBondContact O-N 3.46Å; R89-E93 HydrophobicContact CG-CG 4.32Å; R89-E93 IonicContact CZ-OE1 3.13Å; R89-E93 IonicContact CZ-OE2 3.88Å; R89-E93 IonicContact NE-OE1 3.04Å; R89-E93 PolarHBondContact NE-OE1 3.37Å; R89-E93 IonicContact NH2-OE1 2.67Å; R89-E93 PolarHBondContact NH2-OE1 2.84Å; R89-E93 IonicContact NH2-OE2 3.56Å; R89-E93 WeakPolarHBondContact O-CB 3.16Å; R89-E93 WeakPolarHBondContact O-CG 3.46Å; R89-E93 PolarHBondContact O-N 3.43Å |
| 90 | Q | 62.7 | Low | 58.4 | Low | 132 Ų | 132 | 105.8 Ų | 105.8 | 62% | 0.617 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.8 | -40.1 | 178.3 | -82.4 | -169.1 | -80 | 0 | 0 | 112.8 | A86 E87 E93 S94 | A86-Q90 PolarHBondContact O-N 3.25Å; E87-Q90 PolarHBondContact O-N 3.47Å; Q90-E93 PolarHBondContact O-N 3.23Å; Q90-S94 PolarHBondContact O-N 2.97Å |
| 91 | K | 63.8 | Low | 57.9 | Low | 123 Ų | 123 | 114.8 Ų | 114.8 | 54% | 0.535 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.2 | -32.2 | 178.4 | -156.4 | 162.2 | -175 | 177 | 0 | 112.1 | E87 F88 R89 S94 F95 | E87-K91 WeakPolarHBondContact O-CB 3.44Å; E87-K91 PolarHBondContact O-N 3.17Å; F88-K91 PolarHBondContact O-N 2.83Å; R89-K91 PolarHBondContact O-N 3.05Å; K91-S94 PolarHBondContact O-N 3.29Å; K91-S94 PolarHBondContact O-OG 3.44Å; K91-F95 WeakPolarHBondContact O-CD2 3.38Å; K91-F95 PolarHBondContact O-N 2.94Å |
| 92 | M | 64.5 | Low | 57.4 | Low | 82 Ų | 82 | 115.4 Ų | 115.4 | 40% | 0.404 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.8 | -35.4 | 168.7 | -77.3 | -162 | -56.1 | 0 | 0 | 112.5 | F88 R89 S94 F95 F96 | F88-M92 HydrophobicContact CD1-CE 3.4Å; F88-M92 HydrophobicContact CD1-SD 4.32Å; F88-M92 HydrophobicContact CE1-CE 3.02Å; F88-M92 HydrophobicContact CE1-CG 4.5Å; F88-M92 HydrophobicContact CE1-SD 3.6Å; F88-M92 HydrophobicContact CE2-CE 4.3Å; F88-M92 HydrophobicContact CE2-CG 4.18Å; F88-M92 HydrophobicContact CE2-SD 3.98Å; F88-M92 HydrophobicContact CG-CE 4.19Å; F88-M92 HydrophobicContact CZ-CE 3.53Å; F88-M92 HydrophobicContact CZ-CG 4.18Å; F88-M92 HydrophobicContact CZ-SD 3.38Å; F88-M92 WeakPolarHBondContact CZ-SD 3.45Å; F88-M92 WeakPolarHBondContact O-CB 3.47Å; F88-M92 WeakPolarHBondContact O-CG 3.39Å; F88-M92 PolarHBondContact O-N 3.41Å; R89-M92 PolarHBondContact O-N 3.46Å; M92-S94 VanDerWaalsContact C-N 3.28Å; M92-S94 PolarHBondContact O-N 3.1Å; M92-F95 PolarHBondContact O-N 2.75Å; M92-F96 WeakPolarHBondContact O-CB 3.23Å; M92-F96 PolarHBondContact O-N 2.89Å |
| 93 | E | 63.3 | Low | 57.4 | Low | 85 Ų | 85 | 119.8 Ų | 119.8 | 40% | 0.397 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.8 | -22.2 | 173.5 | -78.3 | -175.1 | 171.8 | 0 | 0 | 112.8 | R89 Q90 F96 | R89-E93 HydrophobicContact CG-CG 4.32Å; R89-E93 IonicContact CZ-OE1 3.13Å; R89-E93 IonicContact CZ-OE2 3.88Å; R89-E93 IonicContact NE-OE1 3.04Å; R89-E93 PolarHBondContact NE-OE1 3.37Å; R89-E93 IonicContact NH2-OE1 2.67Å; R89-E93 PolarHBondContact NH2-OE1 2.84Å; R89-E93 IonicContact NH2-OE2 3.56Å; R89-E93 WeakPolarHBondContact O-CB 3.16Å; R89-E93 WeakPolarHBondContact O-CG 3.46Å; R89-E93 PolarHBondContact O-N 3.43Å; Q90-E93 PolarHBondContact O-N 3.23Å; E93-F96 CarbonylContact C-O 3.59Å |
| 94 | S | 62.1 | Low | 57.1 | Low | 88 Ų | 88 | 117.1 Ų | 117.1 | 62% | 0.615 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -79.3 | -27.9 | 170.4 | 73 | 0 | 0 | 0 | 0 | 112.9 | Q90 K91 M92 | Q90-S94 PolarHBondContact O-N 2.97Å; K91-S94 PolarHBondContact O-N 3.29Å; K91-S94 PolarHBondContact O-OG 3.44Å; M92-S94 VanDerWaalsContact C-N 3.28Å; M92-S94 PolarHBondContact O-N 3.1Å |
| 95 | F | 59.8 | Low | 56.7 | Low | 165 Ų | 165 | 117.3 Ų | 117.3 | 72% | 0.724 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -85.7 | -33.4 | 176.3 | -94.1 | -82.6 | 0 | 0 | 0 | 112.9 | K91 M92 | K91-F95 WeakPolarHBondContact O-CD2 3.38Å; K91-F95 PolarHBondContact O-N 2.94Å; M92-F95 PolarHBondContact O-N 2.75Å |
| 96 | F | 57.9 | Low | 56.2 | Low | 156 Ų | 156 | 114.5 Ų | 114.5 | 68% | 0.684 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -102.4 | 104.9 | 172.4 | -81.1 | -92.6 | 0 | 0 | 0 | 108.3 | M92 E93 A98 | M92-F96 WeakPolarHBondContact O-CB 3.23Å; M92-F96 PolarHBondContact O-N 2.89Å; E93-F96 CarbonylContact C-O 3.59Å; F96-A98 PolarHBondContact O-N 3.48Å |
| 97 | P | 55.3 | Low | 55.6 | Low | 113 Ų | 113 | 116.5 Ų | 116.5 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | trans | -52.8 | 122.1 | 177.7 | 21.5 | -31.4 | 0 | 0 | 0 | 108.9 | I99 | P97-I99 PolarHBondContact O-N 3.36Š| ||
| 98 | A | 52 | Low | 54.9 | Low | 77 Ų | 77 | 114.9 Ų | 114.9 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | trans | -51.6 | 117.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F96 P100 | F96-A98 PolarHBondContact O-N 3.48Å; A98-P100 WeakPolarHBondContact O-CD 3.4Å; A98-P100 VanDerWaalsContact O-N 3.13Å | ||
| 99 | I | 56.2 | Low | 54.1 | Low | 160 Ų | 160 | 115 Ų | 115 | 82% | 0.821 | 64% | 0.643 | S | S | * | * | trans | -63.5 | 115.2 | 169.8 | -63.6 | 164.6 | 0 | 0 | 0 | 105.7 | P97 R101 | P97-I99 PolarHBondContact O-N 3.36Å; I99-R101 PolarHBondContact O-N 2.96Å | ||
| 100 | P | 51.3 | Low | 53.7 | Low | 105 Ų | 105 | 116.5 Ų | 116.5 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | trans | -63.3 | 114.3 | 178.4 | 24.9 | -30.8 | 0 | 0 | 0 | 107.8 | A98 N102 | A98-P100 WeakPolarHBondContact O-CD 3.4Å; A98-P100 VanDerWaalsContact O-N 3.13Å; P100-N102 PolarHBondContact O-N 3.43Å | ||
| 101 | R | 53.4 | Low | 53.4 | Low | 251 Ų | 251 | 116 Ų | 116 | 95% | 0.947 | 67% | 0.665 | S | S | * | * | trans | -72.6 | 70.2 | 162.6 | -114.8 | -177.6 | -177.7 | 165.9 | 0.8 | 107.4 | I99 P103 | I99-R101 PolarHBondContact O-N 2.96Å; R101-P103 WeakPolarHBondContact O-CD 3.44Å | ||
| 102 | N | 43.6 | Very low | 53.3 | Low | 72 Ų | 72 | 116.9 Ų | 116.9 | 39% | 0.385 | 68% | 0.675 | S | S | . | * | trans | -78.4 | 117.8 | 164.2 | -169.7 | -6 | 0 | 0 | 0 | 107.3 | P100 E104 A105 | P100-N102 PolarHBondContact O-N 3.43Å; N102-E104 PolarHBondContact ND2-OE2 2.9Å; N102-E104 PolarHBondContact O-N 3.02Å; N102-E104 VanDerWaalsContact O-N 3.08Å; N102-E104 WeakPolarHBondContact OD1-CB 3.42Å; N102-E104 WeakPolarHBondContact OD1-CG 3.4Å; N102-E104 PolarHBondContact OD1-N 3.02Å; N102-E104 PolarHBondContact OD1-OE2 2.84Å; N102-A105 PolarHBondContact O-N 3.32Å | ||
| 103 | P | 53.2 | Low | 53.4 | Low | 110 Ų | 110 | 117.6 Ų | 117.6 | 71% | 0.714 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -57.7 | -14.1 | 169.8 | 24.1 | -33.3 | 0 | 0 | 0 | 113.2 | R101 A106 | R101-P103 WeakPolarHBondContact O-CD 3.44Å; P103-A106 PolarHBondContact O-N 2.94Å |
| 104 | E | 46.3 | Very low | 53.9 | Low | 142 Ų | 142 | 121.6 Ų | 121.6 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -78.1 | -16.3 | 176.6 | -58.3 | 174.7 | 108.8 | 0 | 0 | 114.3 | N102 A106 A107 | N102-E104 PolarHBondContact ND2-OE2 2.9Å; N102-E104 PolarHBondContact O-N 3.02Å; N102-E104 VanDerWaalsContact O-N 3.08Å; N102-E104 WeakPolarHBondContact OD1-CB 3.42Å; N102-E104 WeakPolarHBondContact OD1-CG 3.4Å; N102-E104 PolarHBondContact OD1-N 3.02Å; N102-E104 PolarHBondContact OD1-OE2 2.84Å; E104-A106 PolarHBondContact O-N 3.27Å; E104-A107 PolarHBondContact O-N 2.98Å; E104-A107 VanDerWaalsContact O-N 3.13Å |
| 105 | A | 45.8 | Very low | 54.3 | Low | 69 Ų | 69 | 123.4 Ų | 123.4 | 57% | 0.57 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -73.2 | -10.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | N102 A107 | N102-A105 PolarHBondContact O-N 3.32Å; A105-A107 VanDerWaalsContact C-N 3.29Å |
| 106 | A | 46.3 | Very low | 54.9 | Low | 85 Ų | 85 | 118.5 Ų | 118.5 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -80 | -8.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | P103 E104 | P103-A106 PolarHBondContact O-N 2.94Å; E104-A106 PolarHBondContact O-N 3.27Å |
| 107 | A | 44.4 | Very low | 55.3 | Low | 94 Ų | 94 | 116.7 Ų | 116.7 | 78% | 0.777 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -97.6 | -4.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E104 A105 | E104-A107 PolarHBondContact O-N 2.98Å; E104-A107 VanDerWaalsContact O-N 3.13Å; A105-A107 VanDerWaalsContact C-N 3.29Å |
| 108 | G | 44.6 | Very low | 56.2 | Low | 72 Ų | 72 | 117.9 Ų | 117.9 | 74% | 0.742 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -122.7 | 3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 109 | S | 46.2 | Very low | 56.5 | Low | 88 Ų | 88 | 117.1 Ų | 117.1 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -109.2 | 107.8 | 166.3 | 43.6 | 0 | 0 | 0 | 0 | 107.6 | ||
| 110 | E | 55.8 | Low | 57 | Low | 177 Ų | 177 | 114.6 Ų | 114.6 | 83% | 0.827 | 68% | 0.677 | S | S | * | * | trans | -42.4 | 134.3 | 162.3 | -70.5 | 176.8 | 84.9 | 0 | 0 | 108.3 | L112 | E110-L112 PolarHBondContact O-N 3.12Š| ||
| 111 | P | 56 | Low | 57 | Low | 122 Ų | 122 | 122.1 Ų | 122.1 | 79% | 0.792 | 70% | 0.699 | S | S | * | * | trans | -59.7 | 112 | 174.9 | 25.3 | -30.5 | 0 | 0 | 0 | 106.4 | D113 | P111-D113 PolarHBondContact O-N 3.49Š| ||
| 112 | L | 61.8 | Low | 57.2 | Low | 142 Ų | 142 | 115.7 Ų | 115.7 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | -53.8 | 107.6 | 173.9 | -72.2 | 170.3 | 0 | 0 | 0 | 107.2 | E110 W114 | E110-L112 PolarHBondContact O-N 3.12Å; L112-W114 PolarHBondContact O-N 3.44Å | ||
| 113 | D | 67.4 | Low | 57.9 | Low | 97 Ų | 97 | 118 Ų | 118 | 52% | 0.519 | 70% | 0.702 | S | S | . | * | trans | -75.7 | 92.3 | -172.5 | -175.2 | 15.5 | 0 | 0 | 0 | 109.5 | P111 D115 A116 | P111-D113 PolarHBondContact O-N 3.49Å; D113-D115 PolarHBondContact O-N 3.15Å; D113-D115 WeakPolarHBondContact OD1-CB 3.44Å; D113-D115 PolarHBondContact OD1-N 3.44Å; D113-A116 HydrophobicContact CB-CB 4.41Å; D113-A116 PolarHBondContact O-N 3.42Å | ||
| 114 | W | 71.9 | Confident | 58.1 | Low | 168 Ų | 168 | 118.4 Ų | 118.4 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -64.1 | -21.6 | 177.6 | -67 | 102.2 | 0 | 0 | 0 | 112.2 | L112 A116 I117 L118 | L112-W114 PolarHBondContact O-N 3.44Å; W114-A116 VanDerWaalsContact C-N 3.33Å; W114-I117 HydrophobicContact CE3-CD1 4.34Å; W114-I117 HydrophobicContact CZ3-CD1 4.39Å; W114-I117 PolarHBondContact O-N 3.03Å; W114-L118 WeakPolarHBondContact O-CB 3.43Å; W114-L118 WeakPolarHBondContact O-CG 3.41Å; W114-L118 PolarHBondContact O-N 2.95Å |
| 115 | D | 71.6 | Confident | 58.8 | Low | 127 Ų | 127 | 117.1 Ų | 117.1 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.9 | -30.2 | 176.9 | -72.3 | -48.8 | 0 | 0 | 0 | 111.6 | D113 G119 | D113-D115 PolarHBondContact O-N 3.15Å; D113-D115 WeakPolarHBondContact OD1-CB 3.44Å; D113-D115 PolarHBondContact OD1-N 3.44Å; D115-G119 WeakPolarHBondContact O-CA 3.41Å; D115-G119 PolarHBondContact O-N 3.44Å |
| 116 | A | 71.2 | Confident | 59.6 | Low | 61 Ų | 61 | 120.1 Ų | 120.1 | 50% | 0.504 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -68.4 | -33.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D113 W114 | D113-A116 HydrophobicContact CB-CB 4.41Å; D113-A116 PolarHBondContact O-N 3.42Å; W114-A116 VanDerWaalsContact C-N 3.33Å |
| 117 | I | 66.7 | Low | 60.5 | Low | 119 Ų | 119 | 122.4 Ų | 122.4 | 61% | 0.61 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -79.8 | -37.5 | 178.8 | -63 | 178.3 | 0 | 0 | 0 | 111 | W114 | W114-I117 HydrophobicContact CE3-CD1 4.34Å; W114-I117 HydrophobicContact CZ3-CD1 4.39Å; W114-I117 PolarHBondContact O-N 3.03Å |
| 118 | L | 75.3 | Confident | 61.7 | Low | 137 Ų | 137 | 124.4 Ų | 124.4 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -85.7 | -22.7 | -178.4 | -65.1 | 173.9 | 0 | 0 | 0 | 113.2 | W114 | W114-L118 WeakPolarHBondContact O-CB 3.43Å; W114-L118 WeakPolarHBondContact O-CG 3.41Å; W114-L118 PolarHBondContact O-N 2.95Å |
| 119 | G | 57.8 | Low | 63 | Low | 62 Ų | 62 | 128.5 Ų | 128.5 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -85.8 | -9.7 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | D115 K121 | D115-G119 WeakPolarHBondContact O-CA 3.41Å; D115-G119 PolarHBondContact O-N 3.44Å; G119-K121 PolarHBondContact O-N 3.35Å |
| 120 | S | 66.1 | Low | 64.4 | Low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -89.1 | 81.3 | 177.3 | -165.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 121 | K | 51.4 | Low | 65.2 | Low | 263 Ų | 263 | 127.7 Ų | 127.7 | 100% | 1.143 | 70% | 0.703 | S | S | * | * | trans | -143.2 | 0 | 163.9 | -168.3 | 169.5 | -175.9 | -66.2 | 0 | 111.7 | G119 | G119-K121 PolarHBondContact O-N 3.35Š|
Retrieved 121 of 121 residues in 52 ms
(Link to these results)