| 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 | V | 58.6 | Low | 63.1 | Low | 166 Ų | 166 | 109.5 Ų | 109.5 | 100% | 1.006 | 63% | 0.63 | S | S | * | * | 0 | -54.9 | 0 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | F3 M4 A5 | V1-F3 PolarHBondContact O-N 2.93Å; V1-M4 PolarHBondContact O-N 3.15Å; V1-A5 PolarHBondContact O-N 3.36Å; V1-A5 VanDerWaalsContact O-N 3.17Å | |||
| 2 | A | 57.8 | Low | 64.3 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 65% | 0.645 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -57.5 | -39.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M4 A5 V6 | A2-M4 PolarHBondContact O-N 2.83Å; A2-A5 PolarHBondContact O-N 3.27Å; A2-V6 WeakPolarHBondContact O-CG2 3.35Å; A2-V6 PolarHBondContact O-N 3.38Å |
| 3 | F | 56.8 | Low | 65.4 | Low | 190 Ų | 190 | 103.5 Ų | 103.5 | 83% | 0.833 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66 | -36.4 | 179 | -134.8 | -93.7 | 0 | 0 | 0 | 113.3 | V1 F7 | V1-F3 PolarHBondContact O-N 2.93Å; F3-F7 WeakPolarHBondContact O-CB 3.46Å; F3-F7 PolarHBondContact O-N 2.97Å; F3-F7 VanDerWaalsContact O-N 3.15Å |
| 4 | M | 59.7 | Low | 66.5 | Low | 157 Ų | 157 | 97.9 Ų | 97.9 | 77% | 0.773 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72 | -35.5 | 176.1 | -71 | -172.1 | -167.7 | 0 | 0 | 111.9 | V1 A2 F7 A8 | V1-M4 PolarHBondContact O-N 3.15Å; A2-M4 PolarHBondContact O-N 2.83Å; M4-F7 PolarHBondContact O-N 2.64Å; M4-A8 WeakPolarHBondContact O-CB 3.4Å; M4-A8 PolarHBondContact O-N 3.29Å |
| 5 | A | 61 | Low | 67.5 | Low | 55 Ų | 55 | 95.3 Ų | 95.3 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.2 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1 A2 A8 V9 | V1-A5 PolarHBondContact O-N 3.36Å; V1-A5 VanDerWaalsContact O-N 3.17Å; A2-A5 PolarHBondContact O-N 3.27Å; A5-A8 PolarHBondContact O-N 3.39Å; A5-V9 WeakPolarHBondContact O-CG2 3.36Å; A5-V9 PolarHBondContact O-N 2.98Å |
| 6 | V | 64.4 | Low | 68.6 | Low | 87 Ų | 87 | 94.2 Ų | 94.2 | 53% | 0.527 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.6 | -40.5 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | A2 V9 L10 | A2-V6 WeakPolarHBondContact O-CG2 3.35Å; A2-V6 PolarHBondContact O-N 3.38Å; V6-V9 PolarHBondContact O-N 2.95Å; V6-L10 HydrophobicContact CG1-CD1 3.81Å; V6-L10 HydrophobicContact CG1-CG 4.38Å; V6-L10 WeakPolarHBondContact O-CB 3.31Å; V6-L10 VanDerWaalsContact O-CG 3.3Å; V6-L10 WeakPolarHBondContact O-CG 3.48Å; V6-L10 PolarHBondContact O-N 2.76Å |
| 7 | F | 67.3 | Low | 69.8 | Low | 152 Ų | 152 | 93.2 Ų | 93.2 | 67% | 0.667 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.6 | -38.8 | 175.9 | -170.7 | -97.5 | 0 | 0 | 0 | 112.8 | F3 M4 L10 S11 | F3-F7 WeakPolarHBondContact O-CB 3.46Å; F3-F7 PolarHBondContact O-N 2.97Å; F3-F7 VanDerWaalsContact O-N 3.15Å; M4-F7 PolarHBondContact O-N 2.64Å; F7-L10 PolarHBondContact O-N 3.33Å; F7-S11 WeakPolarHBondContact O-CB 3.44Å; F7-S11 PolarHBondContact O-N 3.03Å; F7-S11 PolarHBondContact O-OG 3.31Å |
| 8 | A | 65.5 | Low | 70.8 | Confident | 54 Ų | 54 | 96.4 Ų | 96.4 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.5 | -35.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M4 A5 S11 S12 | M4-A8 WeakPolarHBondContact O-CB 3.4Å; M4-A8 PolarHBondContact O-N 3.29Å; A5-A8 PolarHBondContact O-N 3.39Å; A8-S11 WeakPolarHBondContact CA-OG 3.31Å; A8-S11 PolarHBondContact O-OG 3.31Å; A8-S11 VanDerWaalsContact O-OG 3.04Å; A8-S12 WeakPolarHBondContact O-CB 3.37Å; A8-S12 PolarHBondContact O-N 2.83Å; A8-S12 VanDerWaalsContact O-N 3.12Å; A8-S12 PolarHBondContact O-OG 3.26Å |
| 9 | V | 66.9 | Low | 71.8 | Confident | 89 Ų | 89 | 94.6 Ų | 94.6 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.6 | -42.5 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | A5 V6 S11 S12 V13 | A5-V9 WeakPolarHBondContact O-CG2 3.36Å; A5-V9 PolarHBondContact O-N 2.98Å; V6-V9 PolarHBondContact O-N 2.95Å; V9-S11 PolarHBondContact O-N 3.18Å; V9-S12 WeakPolarHBondContact CA-OG 3.49Å; V9-S12 PolarHBondContact O-N 3.32Å; V9-S12 PolarHBondContact O-OG 3.41Å; V9-V13 HydrophobicContact CG1-CG2 4.4Å; V9-V13 WeakPolarHBondContact O-CB 3.14Å; V9-V13 VanDerWaalsContact O-CG2 3.27Å; V9-V13 WeakPolarHBondContact O-CG2 3.28Å; V9-V13 PolarHBondContact O-N 3.28Å |
| 10 | L | 65.3 | Low | 72.8 | Confident | 114 Ų | 114 | 98.4 Ų | 98.4 | 60% | 0.597 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.9 | -37 | 176.9 | -73.1 | 168.8 | 0 | 0 | 0 | 112.6 | V6 F7 G14 | V6-L10 HydrophobicContact CG1-CD1 3.81Å; V6-L10 HydrophobicContact CG1-CG 4.38Å; V6-L10 WeakPolarHBondContact O-CB 3.31Å; V6-L10 VanDerWaalsContact O-CG 3.3Å; V6-L10 WeakPolarHBondContact O-CG 3.48Å; V6-L10 PolarHBondContact O-N 2.76Å; F7-L10 PolarHBondContact O-N 3.33Å; L10-G14 PolarHBondContact O-N 2.98Å |
| 11 | S | 70.4 | Confident | 73.7 | Confident | 63 Ų | 63 | 98.2 Ų | 98.2 | 44% | 0.441 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.9 | -36.2 | 177 | 67 | 0 | 0 | 0 | 0 | 112.7 | F7 A8 V9 G14 A15 | F7-S11 WeakPolarHBondContact O-CB 3.44Å; F7-S11 PolarHBondContact O-N 3.03Å; F7-S11 PolarHBondContact O-OG 3.31Å; A8-S11 WeakPolarHBondContact CA-OG 3.31Å; A8-S11 PolarHBondContact O-OG 3.31Å; A8-S11 VanDerWaalsContact O-OG 3.04Å; V9-S11 PolarHBondContact O-N 3.18Å; S11-G14 PolarHBondContact O-N 3.37Å; S11-A15 WeakPolarHBondContact O-CB 3.44Å; S11-A15 PolarHBondContact O-N 3.31Å |
| 12 | S | 77.4 | Confident | 75.3 | Confident | 63 Ų | 63 | 97.5 Ų | 97.5 | 44% | 0.441 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.4 | -39.7 | 175.4 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | A8 V9 A15 T16 | A8-S12 WeakPolarHBondContact O-CB 3.37Å; A8-S12 PolarHBondContact O-N 2.83Å; A8-S12 VanDerWaalsContact O-N 3.12Å; A8-S12 PolarHBondContact O-OG 3.26Å; V9-S12 WeakPolarHBondContact CA-OG 3.49Å; V9-S12 PolarHBondContact O-N 3.32Å; V9-S12 PolarHBondContact O-OG 3.41Å; S12-A15 PolarHBondContact O-N 3.32Å; S12-T16 WeakPolarHBondContact O-CG2 3.19Å; S12-T16 PolarHBondContact O-N 2.93Å; S12-T16 PolarHBondContact O-OG1 3.29Å |
| 13 | V | 79.1 | Confident | 76.9 | Confident | 78 Ų | 78 | 98.6 Ų | 98.6 | 47% | 0.473 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 170.7 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | V9 T16 V17 | V9-V13 HydrophobicContact CG1-CG2 4.4Å; V9-V13 WeakPolarHBondContact O-CB 3.14Å; V9-V13 VanDerWaalsContact O-CG2 3.27Å; V9-V13 WeakPolarHBondContact O-CG2 3.28Å; V9-V13 PolarHBondContact O-N 3.28Å; V13-T16 WeakPolarHBondContact CA-OG1 3.47Å; V13-T16 PolarHBondContact O-N 3.42Å; V13-T16 PolarHBondContact O-OG1 2.94Å; V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.38Å; V13-V17 PolarHBondContact O-N 3.33Å |
| 14 | G | 80.1 | Confident | 78.7 | Confident | 25 Ų | 25 | 93 Ų | 93 | 26% | 0.258 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L10 S11 T16 V17 F18 | L10-G14 PolarHBondContact O-N 2.98Å; S11-G14 PolarHBondContact O-N 3.37Å; G14-T16 VanDerWaalsContact C-N 3.34Å; G14-T16 PolarHBondContact O-N 2.99Å; G14-V17 PolarHBondContact O-N 3.3Å; G14-F18 WeakPolarHBondContact O-CD2 3.39Å; G14-F18 PolarHBondContact O-N 2.85Å |
| 15 | A | 82.4 | Confident | 80.3 | Confident | 59 Ų | 59 | 91.2 Ų | 91.2 | 49% | 0.488 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S11 S12 F18 A19 | S11-A15 WeakPolarHBondContact O-CB 3.44Å; S11-A15 PolarHBondContact O-N 3.31Å; S12-A15 PolarHBondContact O-N 3.32Å; A15-F18 PolarHBondContact O-N 3.46Å; A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 2.86Å |
| 16 | T | 85.6 | Confident | 81.8 | Confident | 77 Ų | 77 | 93.3 Ų | 93.3 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 175.5 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | S12 V13 G14 A19 W20 | S12-T16 WeakPolarHBondContact O-CG2 3.19Å; S12-T16 PolarHBondContact O-N 2.93Å; S12-T16 PolarHBondContact O-OG1 3.29Å; V13-T16 WeakPolarHBondContact CA-OG1 3.47Å; V13-T16 PolarHBondContact O-N 3.42Å; V13-T16 PolarHBondContact O-OG1 2.94Å; G14-T16 VanDerWaalsContact C-N 3.34Å; G14-T16 PolarHBondContact O-N 2.99Å; T16-A19 PolarHBondContact O-N 2.97Å; T16-W20 PolarHBondContact O-N 2.93Å |
| 17 | V | 88.1 | Confident | 83.3 | Confident | 77 Ų | 77 | 93.2 Ų | 93.2 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 173.1 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | V13 G14 A19 W20 L21 | V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.38Å; V13-V17 PolarHBondContact O-N 3.33Å; G14-V17 PolarHBondContact O-N 3.3Å; V17-A19 PolarHBondContact O-N 3.12Å; V17-W20 PolarHBondContact O-N 2.7Å; V17-L21 HydrophobicContact CG1-CD1 4.04Å; V17-L21 HydrophobicContact CG1-CG 4.45Å; V17-L21 WeakPolarHBondContact O-CB 3.49Å; V17-L21 WeakPolarHBondContact O-CG 3.35Å; V17-L21 PolarHBondContact O-N 2.75Å |
| 18 | F | 88.8 | Confident | 84.5 | Confident | 152 Ų | 152 | 88.7 Ų | 88.7 | 67% | 0.667 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.3 | -39.8 | 176 | -79.2 | -65.5 | 0 | 0 | 0 | 112.6 | G14 A15 L21 F22 | G14-F18 WeakPolarHBondContact O-CD2 3.39Å; G14-F18 PolarHBondContact O-N 2.85Å; A15-F18 PolarHBondContact O-N 3.46Å; F18-L21 PolarHBondContact O-N 3.32Å; F18-F22 WeakPolarHBondContact O-CB 3.25Å; F18-F22 PolarHBondContact O-N 3.15Å |
| 19 | A | 88.3 | Confident | 85.8 | Confident | 61 Ų | 61 | 91 Ų | 91 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A15 T16 V17 F22 F23 | A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 2.86Å; T16-A19 PolarHBondContact O-N 2.97Å; V17-A19 PolarHBondContact O-N 3.12Å; A19-F22 PolarHBondContact O-N 3Å; A19-F23 WeakPolarHBondContact O-CB 3.33Å; A19-F23 PolarHBondContact O-N 3.25Å |
| 20 | W | 92 | Very high | 87.1 | Confident | 170 Ų | 170 | 89.9 Ų | 89.9 | 64% | 0.644 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 174.1 | -83.4 | 113.4 | 0 | 0 | 0 | 112.3 | T16 V17 F22 F23 C24 | T16-W20 PolarHBondContact O-N 2.93Å; V17-W20 PolarHBondContact O-N 2.7Å; W20-F22 PolarHBondContact O-N 3.29Å; W20-F23 HydrophobicContact CE3-CD1 4.13Å; W20-F23 HydrophobicContact CZ3-CD1 4.01Å; W20-F23 HydrophobicContact CZ3-CE1 4.29Å; W20-F23 PolarHBondContact O-N 3.05Å; W20-C24 WeakPolarHBondContact O-CB 3.49Å; W20-C24 PolarHBondContact O-N 3.43Å; W20-C24 PolarHBondContact O-SG 3.34Å |
| 21 | L | 92 | Very high | 88.5 | Confident | 95 Ų | 95 | 87.1 Ų | 87.1 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 174.9 | -74.8 | 170.9 | 0 | 0 | 0 | 111.5 | V17 F18 C24 L25 | V17-L21 HydrophobicContact CG1-CD1 4.04Å; V17-L21 HydrophobicContact CG1-CG 4.45Å; V17-L21 WeakPolarHBondContact O-CB 3.49Å; V17-L21 WeakPolarHBondContact O-CG 3.35Å; V17-L21 PolarHBondContact O-N 2.75Å; F18-L21 PolarHBondContact O-N 3.32Å; L21-C24 PolarHBondContact O-N 3.16Å; L21-L25 WeakPolarHBondContact O-CB 3.33Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.3Å; L21-L25 PolarHBondContact O-N 3.33Å |
| 22 | F | 91.8 | Very high | 89.5 | Confident | 151 Ų | 151 | 87.6 Ų | 87.6 | 66% | 0.662 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 177 | -173.2 | -95.6 | 0 | 0 | 0 | 111.9 | F18 A19 W20 L25 F26 | F18-F22 WeakPolarHBondContact O-CB 3.25Å; F18-F22 PolarHBondContact O-N 3.15Å; A19-F22 PolarHBondContact O-N 3Å; W20-F22 PolarHBondContact O-N 3.29Å; F22-L25 PolarHBondContact O-N 3.04Å; F22-F26 WeakPolarHBondContact O-CB 3.16Å; F22-F26 PolarHBondContact O-N 2.93Å |
| 23 | F | 92.8 | Very high | 90.3 | Very high | 102 Ų | 102 | 85.8 Ų | 85.8 | 45% | 0.447 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 176.2 | -176.5 | -109 | 0 | 0 | 0 | 112.1 | A19 W20 L25 F26 I27 | A19-F23 WeakPolarHBondContact O-CB 3.33Å; A19-F23 PolarHBondContact O-N 3.25Å; W20-F23 HydrophobicContact CE3-CD1 4.13Å; W20-F23 HydrophobicContact CZ3-CD1 4.01Å; W20-F23 HydrophobicContact CZ3-CE1 4.29Å; W20-F23 PolarHBondContact O-N 3.05Å; F23-L25 VanDerWaalsContact C-N 3.35Å; F23-L25 PolarHBondContact O-N 3.5Å; F23-F26 PolarHBondContact O-N 3.44Å; F23-I27 HydrophobicContact CD1-CD1 3.77Å; F23-I27 HydrophobicContact CE1-CD1 3.26Å; F23-I27 HydrophobicContact CE1-CG1 4.28Å; F23-I27 HydrophobicContact CE2-CD1 4.24Å; F23-I27 HydrophobicContact CG-CD1 4.46Å; F23-I27 HydrophobicContact CZ-CD1 3.53Å; F23-I27 HydrophobicContact CZ-CG1 4.24Å; F23-I27 WeakPolarHBondContact O-CG1 3.38Å; F23-I27 PolarHBondContact O-N 3.36Å |
| 24 | C | 93.5 | Very high | 91.1 | Very high | 72 Ų | 72 | 88.8 Ų | 88.8 | 49% | 0.486 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.2 | -72.7 | 0 | 0 | 0 | 0 | 111.9 | W20 L21 F26 I27 A28 | W20-C24 WeakPolarHBondContact O-CB 3.49Å; W20-C24 PolarHBondContact O-N 3.43Å; W20-C24 PolarHBondContact O-SG 3.34Å; L21-C24 PolarHBondContact O-N 3.16Å; C24-F26 VanDerWaalsContact C-N 3.35Å; C24-I27 PolarHBondContact O-N 3.01Å; C24-A28 WeakPolarHBondContact O-CB 3.45Å; C24-A28 PolarHBondContact O-N 2.87Å |
| 25 | L | 93.3 | Very high | 91.7 | Very high | 119 Ų | 119 | 92.7 Ų | 92.7 | 62% | 0.623 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.2 | -39.1 | 175 | -74.2 | 171.3 | 0 | 0 | 0 | 112 | L21 F22 F23 A28 F29 | L21-L25 WeakPolarHBondContact O-CB 3.33Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.3Å; L21-L25 PolarHBondContact O-N 3.33Å; F22-L25 PolarHBondContact O-N 3.04Å; F23-L25 VanDerWaalsContact C-N 3.35Å; F23-L25 PolarHBondContact O-N 3.5Å; L25-A28 PolarHBondContact O-N 3.02Å; L25-F29 VanDerWaalsContact O-CB 3.32Å; L25-F29 WeakPolarHBondContact O-CB 3.21Å; L25-F29 PolarHBondContact O-N 3.06Å |
| 26 | F | 93.6 | Very high | 92.2 | Very high | 100 Ų | 100 | 89.9 Ų | 89.9 | 44% | 0.439 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 176.4 | -179.3 | -105.1 | 0 | 0 | 0 | 111.9 | F22 F23 C24 F29 L30 | F22-F26 WeakPolarHBondContact O-CB 3.16Å; F22-F26 PolarHBondContact O-N 2.93Å; F23-F26 PolarHBondContact O-N 3.44Å; C24-F26 VanDerWaalsContact C-N 3.35Å; F26-F29 WeakPolarHBondContact O-CB 2.84Å; F26-F29 PolarHBondContact O-N 2.75Å; F26-L30 HydrophobicContact CD1-CD1 4Å; F26-L30 HydrophobicContact CD1-CG 4.46Å; F26-L30 HydrophobicContact CE1-CD1 3.4Å; F26-L30 VanDerWaalsContact CE1-CD1 3.4Å; F26-L30 HydrophobicContact CE1-CG 4.07Å; F26-L30 HydrophobicContact CE2-CG 4.42Å; F26-L30 HydrophobicContact CZ-CD1 3.73Å; F26-L30 HydrophobicContact CZ-CD2 4.26Å; F26-L30 HydrophobicContact CZ-CG 4.05Å; F26-L30 WeakPolarHBondContact O-CG 3.23Å; F26-L30 PolarHBondContact O-N 3.12Å |
| 27 | I | 94.6 | Very high | 92.6 | Very high | 85 Ų | 85 | 91.8 Ų | 91.8 | 44% | 0.436 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 173.4 | -70.3 | 174.2 | 0 | 0 | 0 | 110.5 | F23 C24 F29 L30 A31 | F23-I27 HydrophobicContact CD1-CD1 3.77Å; F23-I27 HydrophobicContact CE1-CD1 3.26Å; F23-I27 HydrophobicContact CE1-CG1 4.28Å; F23-I27 HydrophobicContact CE2-CD1 4.24Å; F23-I27 HydrophobicContact CG-CD1 4.46Å; F23-I27 HydrophobicContact CZ-CD1 3.53Å; F23-I27 HydrophobicContact CZ-CG1 4.24Å; F23-I27 WeakPolarHBondContact O-CG1 3.38Å; F23-I27 PolarHBondContact O-N 3.36Å; C24-I27 PolarHBondContact O-N 3.01Å; I27-F29 VanDerWaalsContact C-N 3.27Å; I27-F29 PolarHBondContact O-N 2.89Å; I27-L30 PolarHBondContact O-N 2.78Å; I27-A31 WeakPolarHBondContact O-CB 3.44Å; I27-A31 PolarHBondContact O-N 3.15Å |
| 28 | A | 92.9 | Very high | 92.8 | Very high | 56 Ų | 56 | 94.9 Ų | 94.9 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C24 L25 Y32 | C24-A28 WeakPolarHBondContact O-CB 3.45Å; C24-A28 PolarHBondContact O-N 2.87Å; L25-A28 PolarHBondContact O-N 3.02Å; A28-Y32 WeakPolarHBondContact O-CB 3.47Å; A28-Y32 PolarHBondContact O-N 3.11Å |
| 29 | F | 92.9 | Very high | 93 | Very high | 102 Ų | 102 | 88.4 Ų | 88.4 | 45% | 0.447 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 175 | 176 | -101.5 | 0 | 0 | 0 | 112.1 | L25 F26 I27 Y32 C33 F55 | L25-F29 VanDerWaalsContact O-CB 3.32Å; L25-F29 WeakPolarHBondContact O-CB 3.21Å; L25-F29 PolarHBondContact O-N 3.06Å; F26-F29 WeakPolarHBondContact O-CB 2.84Å; F26-F29 PolarHBondContact O-N 2.75Å; I27-F29 VanDerWaalsContact C-N 3.27Å; I27-F29 PolarHBondContact O-N 2.89Å; F29-Y32 WeakPolarHBondContact O-CB 3.44Å; F29-Y32 PolarHBondContact O-N 3.04Å; F29-C33 PolarHBondContact O-N 2.89Å; F29-C33 PolarHBondContact O-SG 3.43Å; F29-F55 AromaticContact CE2-CE1 3.96Å; F29-F55 HydrophobicContact CE2-CE1 3.96Å; F29-F55 AromaticContact CE2-CZ 3.78Å; F29-F55 HydrophobicContact CE2-CZ 3.78Å; F29-F55 HydrophobicContact CZ-CE1 4.22Å; F29-F55 HydrophobicContact CZ-CE2 4.36Å; F29-F55 AromaticContact CZ-CZ 3.6Å; F29-F55 HydrophobicContact CZ-CZ 3.6Å |
| 30 | L | 94.1 | Very high | 93.2 | Very high | 67 Ų | 67 | 86.1 Ų | 86.1 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 175.8 | -72.8 | -179.5 | 0 | 0 | 0 | 111.6 | F26 I27 Y32 C33 F34 | F26-L30 HydrophobicContact CD1-CD1 4Å; F26-L30 HydrophobicContact CD1-CG 4.46Å; F26-L30 HydrophobicContact CE1-CD1 3.4Å; F26-L30 VanDerWaalsContact CE1-CD1 3.4Å; F26-L30 HydrophobicContact CE1-CG 4.07Å; F26-L30 HydrophobicContact CE2-CG 4.42Å; F26-L30 HydrophobicContact CZ-CD1 3.73Å; F26-L30 HydrophobicContact CZ-CD2 4.26Å; F26-L30 HydrophobicContact CZ-CG 4.05Å; F26-L30 WeakPolarHBondContact O-CG 3.23Å; F26-L30 PolarHBondContact O-N 3.12Å; I27-L30 PolarHBondContact O-N 2.78Å; L30-Y32 VanDerWaalsContact C-N 3.26Å; L30-Y32 PolarHBondContact O-N 2.93Å; L30-C33 WeakPolarHBondContact O-CB 3.39Å; L30-C33 PolarHBondContact O-N 2.66Å; L30-C33 VanDerWaalsContact O-N 3.07Å; L30-F34 WeakPolarHBondContact O-CD2 3.46Å; L30-F34 PolarHBondContact O-N 3.06Å |
| 31 | A | 94.2 | Very high | 93.2 | Very high | 55 Ų | 55 | 84 Ų | 84 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.3 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I27 F34 Y35 | I27-A31 WeakPolarHBondContact O-CB 3.44Å; I27-A31 PolarHBondContact O-N 3.15Å; A31-F34 PolarHBondContact O-N 3.24Å; A31-Y35 WeakPolarHBondContact O-CB 3.27Å; A31-Y35 PolarHBondContact O-N 3.47Å |
| 32 | Y | 92.9 | Very high | 93.3 | Very high | 74 Ų | 74 | 82.7 Ų | 82.7 | 29% | 0.29 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 174.6 | -175.3 | -114 | 0 | 0 | 0 | 112.8 | A28 F29 L30 Y35 I36 F55 H93 | A28-Y32 WeakPolarHBondContact O-CB 3.47Å; A28-Y32 PolarHBondContact O-N 3.11Å; F29-Y32 WeakPolarHBondContact O-CB 3.44Å; F29-Y32 PolarHBondContact O-N 3.04Å; L30-Y32 VanDerWaalsContact C-N 3.26Å; L30-Y32 PolarHBondContact O-N 2.93Å; Y32-Y35 HydrophobicContact CD2-CD1 4.27Å; Y32-Y35 HydrophobicContact CE2-CD1 4.34Å; Y32-Y35 PolarHBondContact O-N 3.3Å; Y32-I36 HydrophobicContact CD1-CD1 3.9Å; Y32-I36 HydrophobicContact CE1-CD1 3.35Å; Y32-I36 HydrophobicContact CE1-CG1 4.19Å; Y32-I36 HydrophobicContact CE2-CD1 4.29Å; Y32-I36 HydrophobicContact CE2-CG1 4.3Å; Y32-I36 WeakPolarHBondContact O-CG1 3.42Å; Y32-I36 PolarHBondContact O-N 3.16Å; Y32-F55 HydrophobicContact CD1-CD1 4.49Å; Y32-F55 HydrophobicContact CD1-CE1 4.42Å; Y32-F55 HydrophobicContact CE1-CD1 4.16Å; Y32-H93 HydrophobicContact CE2-CB 4.34Å; Y32-H93 AromaticContact CE2-ND1 3.71Å; Y32-H93 AromaticContact CZ-ND1 3.79Å; Y32-H93 PolarHBondContact OH-ND1 2.83Å |
| 33 | C | 93.6 | Very high | 93.4 | Very high | 25 Ų | 25 | 75.6 Ų | 75.6 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 173.5 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | F29 L30 Y35 I36 K37 | F29-C33 PolarHBondContact O-N 2.89Å; F29-C33 PolarHBondContact O-SG 3.43Å; L30-C33 WeakPolarHBondContact O-CB 3.39Å; L30-C33 PolarHBondContact O-N 2.66Å; L30-C33 VanDerWaalsContact O-N 3.07Å; C33-Y35 VanDerWaalsContact C-N 3.34Å; C33-I36 PolarHBondContact O-N 3.47Å; C33-K37 WeakPolarHBondContact O-CB 3.36Å; C33-K37 PolarHBondContact O-N 3.31Å |
| 34 | F | 94.8 | Very high | 93.3 | Very high | 140 Ų | 140 | 74.3 Ų | 74.3 | 61% | 0.614 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64 | -40.4 | 175.4 | -74.9 | -64 | 0 | 0 | 0 | 111.8 | L30 A31 K37 Y38 | L30-F34 WeakPolarHBondContact O-CD2 3.46Å; L30-F34 PolarHBondContact O-N 3.06Å; A31-F34 PolarHBondContact O-N 3.24Å; F34-K37 PolarHBondContact O-N 2.89Å; F34-Y38 WeakPolarHBondContact O-CB 3.47Å; F34-Y38 PolarHBondContact O-N 3.21Å |
| 35 | Y | 94 | Very high | 93.3 | Very high | 108 Ų | 108 | 76 Ų | 76 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 174.5 | 175 | -106.7 | 0 | 0 | 0 | 111.9 | A31 Y32 C33 K37 Y38 I39 H93 | A31-Y35 WeakPolarHBondContact O-CB 3.27Å; A31-Y35 PolarHBondContact O-N 3.47Å; Y32-Y35 HydrophobicContact CD2-CD1 4.27Å; Y32-Y35 HydrophobicContact CE2-CD1 4.34Å; Y32-Y35 PolarHBondContact O-N 3.3Å; C33-Y35 VanDerWaalsContact C-N 3.34Å; Y35-K37 VanDerWaalsContact C-N 3.33Å; Y35-K37 PolarHBondContact O-N 3.09Å; Y35-Y38 WeakPolarHBondContact O-CB 3.32Å; Y35-Y38 PolarHBondContact O-N 3.31Å; Y35-I39 HydrophobicContact CD1-CG1 4.48Å; Y35-I39 HydrophobicContact CD2-CG1 4.31Å; Y35-I39 HydrophobicContact CE1-CG1 4.07Å; Y35-I39 HydrophobicContact CE2-CD1 4.04Å; Y35-I39 HydrophobicContact CE2-CG1 3.87Å; Y35-I39 WeakPolarHBondContact O-CG1 3.4Å; Y35-I39 PolarHBondContact O-N 3.17Å; Y35-H93 HydrophobicContact CD1-CB 4.44Å; Y35-H93 HydrophobicContact CE1-CB 3.96Å; Y35-H93 AromaticContact CE1-CD2 3.9Å |
| 36 | I | 92.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 175.2 | -73.4 | 177.4 | 0 | 0 | 0 | 110.7 | Y32 C33 Y38 I39 H40 F54 F55 H93 | Y32-I36 HydrophobicContact CD1-CD1 3.9Å; Y32-I36 HydrophobicContact CE1-CD1 3.35Å; Y32-I36 HydrophobicContact CE1-CG1 4.19Å; Y32-I36 HydrophobicContact CE2-CD1 4.29Å; Y32-I36 HydrophobicContact CE2-CG1 4.3Å; Y32-I36 WeakPolarHBondContact O-CG1 3.42Å; Y32-I36 PolarHBondContact O-N 3.16Å; C33-I36 PolarHBondContact O-N 3.47Å; I36-Y38 VanDerWaalsContact C-N 3.33Å; I36-Y38 PolarHBondContact O-N 2.88Å; I36-I39 PolarHBondContact O-N 2.9Å; I36-H40 WeakPolarHBondContact CG2-CE1 3.37Å; I36-H40 VanDerWaalsContact O-CG 3.28Å; I36-H40 PolarHBondContact O-N 3.48Å; I36-F54 HydrophobicContact CB-CE1 4.05Å; I36-F54 HydrophobicContact CB-CZ 4.06Å; I36-F54 HydrophobicContact CD1-CE1 4.49Å; I36-F54 HydrophobicContact CG2-CD1 4.19Å; I36-F54 HydrophobicContact CG2-CE1 3.67Å; I36-F54 HydrophobicContact CG2-CE2 4.03Å; I36-F54 HydrophobicContact CG2-CZ 3.58Å; I36-F55 HydrophobicContact CD1-CD1 3.65Å; I36-F55 HydrophobicContact CD1-CE1 4.16Å; I36-H93 HydrophobicContact CG1-CB 4.07Å |
| 37 | K | 93 | Very high | 93.3 | Very high | 117 Ų | 117 | 68.4 Ų | 68.4 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 178.7 | -175.1 | 178.6 | 178.8 | -179 | 0 | 111.4 | C33 F34 Y35 H40 M41 F54 | C33-K37 WeakPolarHBondContact O-CB 3.36Å; C33-K37 PolarHBondContact O-N 3.31Å; F34-K37 PolarHBondContact O-N 2.89Å; Y35-K37 VanDerWaalsContact C-N 3.33Å; Y35-K37 PolarHBondContact O-N 3.09Å; K37-H40 PolarHBondContact O-N 2.72Å; K37-M41 HydrophobicContact CG-SD 4.23Å; K37-M41 WeakPolarHBondContact O-CG 3.49Å; K37-M41 PolarHBondContact O-N 3.04Å; K37-F54 HydrophobicContact CB-CZ 4.35Å |
| 38 | Y | 94.1 | Very high | 93.2 | Very high | 141 Ų | 141 | 65.2 Ų | 65.2 | 55% | 0.553 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.1 | -47.5 | 175.2 | 169.7 | -103.4 | 0 | 0 | 0 | 111.7 | F34 Y35 I36 H40 M41 K42 | F34-Y38 WeakPolarHBondContact O-CB 3.47Å; F34-Y38 PolarHBondContact O-N 3.21Å; Y35-Y38 WeakPolarHBondContact O-CB 3.32Å; Y35-Y38 PolarHBondContact O-N 3.31Å; I36-Y38 VanDerWaalsContact C-N 3.33Å; I36-Y38 PolarHBondContact O-N 2.88Å; Y38-H40 VanDerWaalsContact C-N 3.33Å; Y38-H40 PolarHBondContact O-N 2.99Å; Y38-M41 PolarHBondContact O-N 3Å; Y38-K42 WeakPolarHBondContact O-CB 3.42Å; Y38-K42 PolarHBondContact O-N 3.32Å |
| 39 | I | 92.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 9% | 0.087 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 176.4 | -68.4 | -63.8 | 0 | 0 | 0 | 111 | Y35 I36 K42 Y43 I95 | Y35-I39 HydrophobicContact CD1-CG1 4.48Å; Y35-I39 HydrophobicContact CD2-CG1 4.31Å; Y35-I39 HydrophobicContact CE1-CG1 4.07Å; Y35-I39 HydrophobicContact CE2-CD1 4.04Å; Y35-I39 HydrophobicContact CE2-CG1 3.87Å; Y35-I39 WeakPolarHBondContact O-CG1 3.4Å; Y35-I39 PolarHBondContact O-N 3.17Å; I36-I39 PolarHBondContact O-N 2.9Å; I39-K42 PolarHBondContact O-N 2.8Å; I39-Y43 HydrophobicContact CG2-CD2 4.4Å; I39-Y43 WeakPolarHBondContact O-CD2 3.44Å; I39-Y43 PolarHBondContact O-N 3.24Å; I39-I95 HydrophobicContact CG2-CD1 3.46Å; I39-I95 VanDerWaalsContact CG2-CD1 3.46Å; I39-I95 HydrophobicContact CG2-CG1 3.58Å |
| 40 | H | 92.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 6% | 0.06 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -51.4 | 175.7 | -69.7 | 172.5 | 0 | 0 | 0 | 111.4 | I36 K37 Y38 K42 Y43 D44 R51 F54 | I36-H40 WeakPolarHBondContact CG2-CE1 3.37Å; I36-H40 VanDerWaalsContact O-CG 3.28Å; I36-H40 PolarHBondContact O-N 3.48Å; K37-H40 PolarHBondContact O-N 2.72Å; Y38-H40 VanDerWaalsContact C-N 3.33Å; Y38-H40 PolarHBondContact O-N 2.99Å; H40-K42 VanDerWaalsContact C-N 3.28Å; H40-K42 PolarHBondContact O-N 2.76Å; H40-Y43 CarbonylContact O-C 3.54Å; H40-Y43 PolarHBondContact O-N 2.91Å; H40-Y43 VanDerWaalsContact O-N 3.13Å; H40-D44 VanDerWaalsContact C-CG 3.48Å; H40-D44 VanDerWaalsContact O-CB 3.31Å; H40-D44 WeakPolarHBondContact O-CB 3.29Å; H40-D44 PolarHBondContact O-N 3.03Å; H40-D44 VanDerWaalsContact O-OD1 3.06Å; H40-R51 VanDerWaalsContact CD2-CZ 3.43Å; H40-R51 PolarHBondContact CD2-NE 2.7Å; H40-R51 PolarHBondContact CD2-NH2 2.88Å; H40-R51 VanDerWaalsContact CD2-NH2 3.3Å; H40-R51 VanDerWaalsContact CG-CZ 3.47Å; H40-R51 PolarHBondContact NE2-NE 3.07Å; H40-F54 PolarHBondContact CE1-O 3.42Å; H40-F54 AromaticContact ND1-CE2 3.97Å |
| 41 | M | 92.4 | Very high | 93 | Very high | 126 Ų | 126 | 62.3 Ų | 62.3 | 62% | 0.621 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57.8 | -39.8 | 178.6 | -70.2 | 176.9 | 66.1 | 0 | 0 | 112.4 | K37 Y38 Y43 | K37-M41 HydrophobicContact CG-SD 4.23Å; K37-M41 WeakPolarHBondContact O-CG 3.49Å; K37-M41 PolarHBondContact O-N 3.04Å; Y38-M41 PolarHBondContact O-N 3Å; M41-Y43 PolarHBondContact O-N 3.09Å |
| 42 | K | 93 | Very high | 92.6 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -29 | 179.7 | -176.5 | 178.8 | 178.5 | -168.4 | 0 | 113.6 | Y38 I39 H40 H45 P404 G405 | Y38-K42 WeakPolarHBondContact O-CB 3.42Å; Y38-K42 PolarHBondContact O-N 3.32Å; I39-K42 PolarHBondContact O-N 2.8Å; H40-K42 VanDerWaalsContact C-N 3.28Å; H40-K42 PolarHBondContact O-N 2.76Å; K42-H45 PolarHBondContact O-CE1 2.82Å; K42-H45 PolarHBondContact O-ND1 2.97Å; K42-P404 HydrophobicContact CD-CG 4.48Å; K42-P404 VanDerWaalsContact CE-CB 3.44Å; K42-P404 HydrophobicContact CG-CG 4.01Å; K42-G405 PolarHBondContact NZ-O 2.9Å |
| 43 | Y | 93.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -121.9 | 7.5 | -174.7 | -64 | -91.4 | 0 | 0 | 0 | 113.2 | I39 H40 M41 H45 I46 R88 I95 P404 G405 G406 F407 | I39-Y43 HydrophobicContact CG2-CD2 4.4Å; I39-Y43 WeakPolarHBondContact O-CD2 3.44Å; I39-Y43 PolarHBondContact O-N 3.24Å; H40-Y43 CarbonylContact O-C 3.54Å; H40-Y43 PolarHBondContact O-N 2.91Å; H40-Y43 VanDerWaalsContact O-N 3.13Å; M41-Y43 PolarHBondContact O-N 3.09Å; Y43-H45 VanDerWaalsContact C-N 3.25Å; Y43-H45 PolarHBondContact O-N 2.96Å; Y43-I46 HydrophobicContact CD1-CD1 3.74Å; Y43-I46 PolarHBondContact O-N 3.3Å; Y43-R88 VanDerWaalsContact O-CD 3.28Å; Y43-R88 WeakPolarHBondContact O-CD 3.23Å; Y43-R88 PolarHBondContact O-NH1 2.73Å; Y43-I95 HydrophobicContact CD1-CG2 3.92Å; Y43-I95 HydrophobicContact CD2-CB 4.5Å; Y43-I95 HydrophobicContact CD2-CD1 4.22Å; Y43-I95 HydrophobicContact CD2-CG1 3.64Å; Y43-I95 HydrophobicContact CD2-CG2 4.37Å; Y43-I95 HydrophobicContact CE1-CG2 4.07Å; Y43-I95 HydrophobicContact CE2-CB 4.37Å; Y43-I95 HydrophobicContact CE2-CG1 3.68Å; Y43-I95 HydrophobicContact CE2-CG2 4.49Å; Y43-I95 HydrophobicContact CG-CG1 4.15Å; Y43-I95 HydrophobicContact CG-CG2 4.06Å; Y43-P404 HydrophobicContact CD1-CG 3.84Å; Y43-P404 HydrophobicContact CE1-CG 3.58Å; Y43-P404 VanDerWaalsContact CE1-O 3.31Å; Y43-P404 WeakPolarHBondContact CE1-O 3.26Å; Y43-P404 PolarHBondContact OH-O 2.8Å; Y43-G405 PolarHBondContact OH-O 2.95Å; Y43-G406 PolarHBondContact OH-O 2.95Å; Y43-F407 HydrophobicContact CE1-CB 4.14Å; Y43-F407 HydrophobicContact CE1-CD1 4.23Å |
| 44 | D | 91.7 | Very high | 92.2 | Very high | 75 Ų | 75 | 65 Ų | 65 | 40% | 0.401 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.9 | 179.5 | -82.5 | -16.2 | 0 | 0 | 0 | 113.7 | H40 I46 R51 R88 | H40-D44 VanDerWaalsContact C-CG 3.48Å; H40-D44 VanDerWaalsContact O-CB 3.31Å; H40-D44 WeakPolarHBondContact O-CB 3.29Å; H40-D44 PolarHBondContact O-N 3.03Å; H40-D44 VanDerWaalsContact O-OD1 3.06Å; D44-I46 VanDerWaalsContact C-N 3.3Å; D44-R51 IonicContact OD1-CZ 2.88Å; D44-R51 VanDerWaalsContact OD1-CZ 3.26Å; D44-R51 IonicContact OD1-NH1 3.86Å; D44-R51 PolarHBondContact OD1-NH1 3.47Å; D44-R51 IonicContact OD1-NH2 3.4Å; D44-R51 PolarHBondContact OD1-NH2 2.88Å; D44-R51 IonicContact OD2-NH1 3.98Å; D44-R88 IonicContact OD1-CZ 3.68Å; D44-R88 IonicContact OD1-NH1 2.71Å; D44-R88 PolarHBondContact OD1-NH1 3.44Å; D44-R88 IonicContact OD1-NH2 2.73Å; D44-R88 PolarHBondContact OD1-NH2 3.24Å |
| 45 | H | 92.4 | Very high | 91.9 | Very high | 107 Ų | 107 | 61.7 Ų | 61.7 | 50% | 0.495 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -16.6 | 172.3 | 67.3 | -70.8 | 0 | 0 | 0 | 113.9 | K42 Y43 H402 | K42-H45 PolarHBondContact O-CE1 2.82Å; K42-H45 PolarHBondContact O-ND1 2.97Å; Y43-H45 VanDerWaalsContact C-N 3.25Å; Y43-H45 PolarHBondContact O-N 2.96Å; H45-H402 PolarHBondContact NE2-O 3.23Å |
| 46 | I | 94.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -84.7 | 135.4 | 179.9 | -57.2 | 168.8 | 0 | 0 | 0 | 109.1 | Y43 D44 R88 L97 V401 L403 | Y43-I46 HydrophobicContact CD1-CD1 3.74Å; Y43-I46 PolarHBondContact O-N 3.3Å; D44-I46 VanDerWaalsContact C-N 3.3Å; I46-R88 HydrophobicContact CB-CB 4.45Å; I46-R88 HydrophobicContact CG2-CB 4.16Å; I46-R88 WeakPolarHBondContact O-CD 3.48Å; I46-L97 HydrophobicContact CD1-CD1 3.98Å; I46-L97 HydrophobicContact CD1-CD2 4.06Å; I46-L97 HydrophobicContact CG2-CD2 4.31Å; I46-V401 HydrophobicContact CG1-CG1 4.33Å; I46-L403 HydrophobicContact CD1-CD2 3.7Å; I46-L403 HydrophobicContact CG1-CD2 4.17Å |
| 47 | P | 93.9 | Very high | 91.6 | Very high | 55 Ų | 55 | 58.5 Ų | 58.5 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | trans | -54.8 | 147 | 174.5 | -25.9 | 34.9 | 0 | 0 | 0 | 112.7 | Y87 R88 | P47-Y87 CarbonylContact O-C 3.55Å; P47-Y87 VanDerWaalsContact O-CA 3.22Å; P47-Y87 WeakPolarHBondContact O-CA 3.44Å; P47-R88 PolarHBondContact O-N 3.01Å | ||
| 48 | G | 93.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 53 Ų | 53 | 19% | 0.186 | 27% | 0.267 | C | S | . | . | trans | 165.6 | 172.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y83 | G48-Y83 WeakPolarHBondContact O-CE1 2.93Š| ||
| 49 | P | 93.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 149.2 | -179.6 | 22.7 | -35.9 | 0 | 0 | 0 | 113.8 | R51 H58 W79 Y83 R88 | P49-R51 PolarHBondContact O-N 3.31Å; P49-H58 WeakPolarHBondContact CG-NE2 3.24Å; P49-H58 PolarHBondContact O-NE2 3.11Å; P49-W79 HydrophobicContact CB-CD2 4.29Å; P49-W79 HydrophobicContact CB-CZ2 3.83Å; P49-W79 HydrophobicContact CG-CD2 3.76Å; P49-W79 HydrophobicContact CG-CE3 4Å; P49-W79 HydrophobicContact CG-CG 4.33Å; P49-W79 HydrophobicContact CG-CH2 4.01Å; P49-W79 HydrophobicContact CG-CZ2 3.77Å; P49-W79 HydrophobicContact CG-CZ3 4.11Å; P49-Y83 WeakPolarHBondContact CA-OH 3.15Å; P49-Y83 HydrophobicContact CB-CE2 4.01Å; P49-Y83 HydrophobicContact CG-CE2 4.37Å; P49-R88 WeakPolarHBondContact CD-O 3.08Å |
| 50 | P | 90.8 | Very high | 91.4 | Very high | 102 Ų | 102 | 47.9 Ų | 47.9 | 66% | 0.662 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -66 | 134.5 | 170.6 | 28.1 | -33.2 | 0 | 0 | 0 | 110.1 | N52 | P50-N52 PolarHBondContact O-N 2.9Š|
| 51 | R | 89.6 | Confident | 91.4 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 131.8 | 179.7 | -59.1 | 176.8 | -172 | 104.2 | -12 | 110 | H40 D44 P49 S53 R88 N90 | H40-R51 VanDerWaalsContact CD2-CZ 3.43Å; H40-R51 PolarHBondContact CD2-NE 2.7Å; H40-R51 PolarHBondContact CD2-NH2 2.88Å; H40-R51 VanDerWaalsContact CD2-NH2 3.3Å; H40-R51 VanDerWaalsContact CG-CZ 3.47Å; H40-R51 PolarHBondContact NE2-NE 3.07Å; D44-R51 IonicContact OD1-CZ 2.88Å; D44-R51 VanDerWaalsContact OD1-CZ 3.26Å; D44-R51 IonicContact OD1-NH1 3.86Å; D44-R51 PolarHBondContact OD1-NH1 3.47Å; D44-R51 IonicContact OD1-NH2 3.4Å; D44-R51 PolarHBondContact OD1-NH2 2.88Å; D44-R51 IonicContact OD2-NH1 3.98Å; P49-R51 PolarHBondContact O-N 3.31Å; R51-S53 VanDerWaalsContact C-N 3.32Å; R51-R88 VanDerWaalsContact NH2-CZ 3.29Å; R51-N90 PolarHBondContact NE-OD1 3.35Å |
| 52 | N | 86.9 | Confident | 91.4 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 47% | 0.471 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -76.4 | -23.2 | 177.5 | -54.3 | 105.8 | 0 | 0 | 0 | 113 | P50 G57 P60 T61 | P50-N52 PolarHBondContact O-N 2.9Å; N52-G57 PolarHBondContact N-O 3.49Å; N52-P60 HydrophobicContact CB-CB 4.49Å; N52-P60 HydrophobicContact CB-CG 4.49Å; N52-T61 VanDerWaalsContact CG-OG1 3.28Å; N52-T61 PolarHBondContact ND2-OG1 3.31Å; N52-T61 PolarHBondContact OD1-OG1 2.93Å |
| 53 | S | 88.4 | Confident | 91.2 | Very high | 34 Ų | 34 | 40.5 Ų | 40.5 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -146.4 | 140.7 | -178.2 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | R51 F55 L56 G57 | R51-S53 VanDerWaalsContact C-N 3.32Å; S53-F55 VanDerWaalsContact C-N 3.31Å; S53-F55 PolarHBondContact O-N 2.92Å; S53-F55 PolarHBondContact OG-N 3.28Å; S53-L56 PolarHBondContact OG-N 3.5Å; S53-L56 VanDerWaalsContact OG-N 3.15Å; S53-G57 PolarHBondContact N-O 3.41Å; S53-G57 WeakPolarHBondContact O-CA 3.26Å; S53-G57 PolarHBondContact O-N 3.48Å |
| 54 | F | 88.9 | Confident | 91.2 | Very high | 88 Ų | 88 | 48.6 Ų | 48.6 | 39% | 0.386 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -41.7 | 173.1 | -176.6 | -97 | 0 | 0 | 0 | 112 | I36 K37 H40 | I36-F54 HydrophobicContact CB-CE1 4.05Å; I36-F54 HydrophobicContact CB-CZ 4.06Å; I36-F54 HydrophobicContact CD1-CE1 4.49Å; I36-F54 HydrophobicContact CG2-CD1 4.19Å; I36-F54 HydrophobicContact CG2-CE1 3.67Å; I36-F54 HydrophobicContact CG2-CE2 4.03Å; I36-F54 HydrophobicContact CG2-CZ 3.58Å; K37-F54 HydrophobicContact CB-CZ 4.35Å; H40-F54 PolarHBondContact CE1-O 3.42Å; H40-F54 AromaticContact ND1-CE2 3.97Å |
| 55 | F | 89 | Confident | 91.2 | Very high | 71 Ų | 71 | 46.4 Ų | 46.4 | 31% | 0.311 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -34.6 | -177.1 | -66 | -74.4 | 0 | 0 | 0 | 114 | F29 Y32 I36 S53 L92 | F29-F55 AromaticContact CE2-CE1 3.96Å; F29-F55 HydrophobicContact CE2-CE1 3.96Å; F29-F55 AromaticContact CE2-CZ 3.78Å; F29-F55 HydrophobicContact CE2-CZ 3.78Å; F29-F55 HydrophobicContact CZ-CE1 4.22Å; F29-F55 HydrophobicContact CZ-CE2 4.36Å; F29-F55 AromaticContact CZ-CZ 3.6Å; F29-F55 HydrophobicContact CZ-CZ 3.6Å; Y32-F55 HydrophobicContact CD1-CD1 4.49Å; Y32-F55 HydrophobicContact CD1-CE1 4.42Å; Y32-F55 HydrophobicContact CE1-CD1 4.16Å; I36-F55 HydrophobicContact CD1-CD1 3.65Å; I36-F55 HydrophobicContact CD1-CE1 4.16Å; S53-F55 VanDerWaalsContact C-N 3.31Å; S53-F55 PolarHBondContact O-N 2.92Å; S53-F55 PolarHBondContact OG-N 3.28Å; F55-L92 VanDerWaalsContact O-CA 3.3Å; F55-L92 WeakPolarHBondContact O-CA 3.37Å |
| 56 | L | 88.8 | Confident | 91.1 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 22% | 0.22 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -7.7 | -174.5 | -58.1 | 177.1 | 0 | 0 | 0 | 113.2 | S53 H58 S59 P60 L92 L241 | S53-L56 PolarHBondContact OG-N 3.5Å; S53-L56 VanDerWaalsContact OG-N 3.15Å; L56-H58 PolarHBondContact O-N 3.1Å; L56-H58 VanDerWaalsContact O-N 3.13Å; L56-S59 PolarHBondContact O-N 3.49Å; L56-S59 VanDerWaalsContact O-N 3.14Å; L56-S59 PolarHBondContact O-OG 3.02Å; L56-S59 VanDerWaalsContact O-OG 3.08Å; L56-P60 HydrophobicContact CB-CG 4.04Å; L56-P60 HydrophobicContact CD1-CG 4.17Å; L56-L92 HydrophobicContact CD2-CD2 3.65Å; L56-L241 HydrophobicContact CD1-CD1 4.05Å; L56-L241 HydrophobicContact CD2-CD1 4.41Å; L56-L241 HydrophobicContact CD2-CG 4.42Å |
| 57 | G | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | 58.2 | -116.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N52 S53 | N52-G57 PolarHBondContact N-O 3.49Å; S53-G57 PolarHBondContact N-O 3.41Å; S53-G57 WeakPolarHBondContact O-CA 3.26Å; S53-G57 PolarHBondContact O-N 3.48Å |
| 58 | H | 93.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -0.6 | -177.5 | -56.2 | 85.2 | 0 | 0 | 0 | 113.7 | P49 L56 P60 T61 F62 W79 N90 | P49-H58 WeakPolarHBondContact CG-NE2 3.24Å; P49-H58 PolarHBondContact O-NE2 3.11Å; L56-H58 PolarHBondContact O-N 3.1Å; L56-H58 VanDerWaalsContact O-N 3.13Å; H58-P60 VanDerWaalsContact C-N 3.29Å; H58-T61 WeakPolarHBondContact O-CB 3.41Å; H58-T61 PolarHBondContact O-N 2.93Å; H58-F62 HydrophobicContact CB-CE2 4Å; H58-F62 HydrophobicContact CB-CZ 3.93Å; H58-F62 PolarHBondContact O-N 2.77Å; H58-W79 HydrophobicContact CB-CH2 4.38Å; H58-N90 PolarHBondContact N-O 2.74Å; H58-N90 PolarHBondContact ND1-N 2.91Å; H58-N90 PolarHBondContact ND1-O 2.92Å |
| 59 | S | 90.7 | Very high | 90.1 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.9 | -41.1 | 176.7 | -52 | 0 | 0 | 0 | 0 | 113.5 | L56 T61 F62 V63 I91 | L56-S59 PolarHBondContact O-N 3.49Å; L56-S59 VanDerWaalsContact O-N 3.14Å; L56-S59 PolarHBondContact O-OG 3.02Å; L56-S59 VanDerWaalsContact O-OG 3.08Å; S59-T61 VanDerWaalsContact C-N 3.26Å; S59-T61 PolarHBondContact O-N 3.34Å; S59-F62 PolarHBondContact O-N 3.49Å; S59-V63 WeakPolarHBondContact O-CG2 3.3Å; S59-V63 PolarHBondContact O-N 2.72Å; S59-I91 WeakPolarHBondContact OG-CG2 3.28Å |
| 60 | P | 92.3 | Very high | 89.8 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.7 | -32.9 | 177.7 | -24.7 | 36.2 | 0 | 0 | 0 | 113.7 | N52 L56 H58 R64 | N52-P60 HydrophobicContact CB-CB 4.49Å; N52-P60 HydrophobicContact CB-CG 4.49Å; L56-P60 HydrophobicContact CB-CG 4.04Å; L56-P60 HydrophobicContact CD1-CG 4.17Å; H58-P60 VanDerWaalsContact C-N 3.29Å; P60-R64 WeakPolarHBondContact O-CB 3.44Å; P60-R64 PolarHBondContact O-N 3.44Å |
| 61 | T | 92.3 | Very high | 89.9 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -46.7 | 175.3 | -72.6 | 0 | 0 | 0 | 0 | 110.6 | N52 H58 S59 V63 R64 I65 W79 | N52-T61 VanDerWaalsContact CG-OG1 3.28Å; N52-T61 PolarHBondContact ND2-OG1 3.31Å; N52-T61 PolarHBondContact OD1-OG1 2.93Å; H58-T61 WeakPolarHBondContact O-CB 3.41Å; H58-T61 PolarHBondContact O-N 2.93Å; S59-T61 VanDerWaalsContact C-N 3.26Å; S59-T61 PolarHBondContact O-N 3.34Å; T61-V63 PolarHBondContact O-N 2.97Å; T61-R64 PolarHBondContact O-N 2.89Å; T61-I65 HydrophobicContact CG2-CD1 3.84Å; T61-I65 WeakPolarHBondContact O-CG1 3.4Å; T61-I65 PolarHBondContact O-N 3.37Å; T61-W79 HydrophobicContact CG2-CH2 4.44Å; T61-W79 HydrophobicContact CG2-CZ2 4.38Å |
| 62 | F | 91.5 | Very high | 90 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 177.5 | -53.4 | -36.6 | 0 | 0 | 0 | 112 | H58 S59 R64 I65 M66 V72 F76 W79 M89 I91 | H58-F62 HydrophobicContact CB-CE2 4Å; H58-F62 HydrophobicContact CB-CZ 3.93Å; H58-F62 PolarHBondContact O-N 2.77Å; S59-F62 PolarHBondContact O-N 3.49Å; F62-R64 VanDerWaalsContact C-N 3.32Å; F62-R64 PolarHBondContact O-N 2.76Å; F62-I65 PolarHBondContact O-N 3.07Å; F62-M66 WeakPolarHBondContact O-CB 3.41Å; F62-M66 VanDerWaalsContact O-CG 3.27Å; F62-M66 WeakPolarHBondContact O-CG 3.38Å; F62-M66 PolarHBondContact O-N 2.8Å; F62-V72 HydrophobicContact CB-CG2 4.3Å; F62-V72 HydrophobicContact CD1-CG1 3.6Å; F62-V72 HydrophobicContact CD1-CG2 4.42Å; F62-V72 HydrophobicContact CE1-CG1 3.96Å; F62-V72 HydrophobicContact CG-CG1 4.23Å; F62-F76 AromaticContact CE1-CE1 3.69Å; F62-F76 HydrophobicContact CE1-CE1 3.69Å; F62-F76 HydrophobicContact CE1-CZ 4.33Å; F62-F76 AromaticContact CZ-CE1 3.83Å; F62-F76 HydrophobicContact CZ-CE1 3.83Å; F62-F76 HydrophobicContact CZ-CZ 4.36Å; F62-W79 AromaticContact CE1-CH2 3.79Å; F62-W79 HydrophobicContact CE1-CH2 3.79Å; F62-W79 AromaticContact CE1-CZ3 3.79Å; F62-W79 HydrophobicContact CE1-CZ3 3.79Å; F62-W79 HydrophobicContact CZ-CH2 4.13Å; F62-W79 AromaticContact CZ-CZ3 3.96Å; F62-W79 HydrophobicContact CZ-CZ3 3.96Å; F62-M89 HydrophobicContact CZ-SD 3.84Å; F62-I91 HydrophobicContact CD2-CD1 4.31Å; F62-I91 HydrophobicContact CE2-CD1 3.89Å; F62-I91 HydrophobicContact CE2-CG1 3.94Å |
| 63 | V | 90.5 | Very high | 90.2 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | S59 T61 K67 D239 | S59-V63 WeakPolarHBondContact O-CG2 3.3Å; S59-V63 PolarHBondContact O-N 2.72Å; T61-V63 PolarHBondContact O-N 2.97Å; V63-K67 HydrophobicContact CG1-CD 4.25Å; V63-K67 WeakPolarHBondContact O-CB 3.18Å; V63-K67 VanDerWaalsContact O-CG 3.3Å; V63-K67 WeakPolarHBondContact O-CG 3.39Å; V63-K67 PolarHBondContact O-N 2.91Å; V63-D239 HydrophobicContact CG2-CB 3.75Å |
| 64 | R | 92.6 | Very high | 90.5 | Very high | 172 Ų | 172 | 50.4 Ų | 50.4 | 65% | 0.649 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.2 | -45.2 | 176.7 | -174.6 | -176.3 | -63.4 | 176.6 | -0.7 | 111.5 | P60 T61 F62 K67 N68 | P60-R64 WeakPolarHBondContact O-CB 3.44Å; P60-R64 PolarHBondContact O-N 3.44Å; T61-R64 PolarHBondContact O-N 2.89Å; F62-R64 VanDerWaalsContact C-N 3.32Å; F62-R64 PolarHBondContact O-N 2.76Å; R64-K67 PolarHBondContact O-N 3.13Å; R64-N68 PolarHBondContact O-N 3.33Å |
| 65 | I | 91.7 | Very high | 90.7 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 177.1 | -69.2 | 166.3 | 0 | 0 | 0 | 109.9 | T61 F62 K67 N68 D69 G70 V72 K75 | T61-I65 HydrophobicContact CG2-CD1 3.84Å; T61-I65 WeakPolarHBondContact O-CG1 3.4Å; T61-I65 PolarHBondContact O-N 3.37Å; F62-I65 PolarHBondContact O-N 3.07Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.9Å; I65-N68 CarbonylContact O-C 3.5Å; I65-N68 PolarHBondContact O-N 3.25Å; I65-N68 VanDerWaalsContact O-N 3.14Å; I65-D69 PolarHBondContact O-N 3.3Å; I65-G70 WeakPolarHBondContact CG2-O 3.48Å; I65-G70 WeakPolarHBondContact O-CA 3.29Å; I65-G70 PolarHBondContact O-N 2.83Å; I65-V72 HydrophobicContact CB-CG2 4.39Å; I65-V72 HydrophobicContact CG2-CG2 3.99Å; I65-K75 HydrophobicContact CD1-CB 3.87Å; I65-K75 HydrophobicContact CD1-CD 4.15Å; I65-K75 HydrophobicContact CD1-CG 3.97Å |
| 66 | M | 89.1 | Confident | 91 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 179.4 | -71.8 | 171.8 | 57.2 | 0 | 0 | 113.2 | F62 N68 D69 V72 V234 Y235 R238 | F62-M66 WeakPolarHBondContact O-CB 3.41Å; F62-M66 VanDerWaalsContact O-CG 3.27Å; F62-M66 WeakPolarHBondContact O-CG 3.38Å; F62-M66 PolarHBondContact O-N 2.8Å; M66-N68 PolarHBondContact O-N 3.14Å; M66-D69 PolarHBondContact O-N 3.02Å; M66-V72 HydrophobicContact CG-CG2 4.2Å; M66-V234 HydrophobicContact CE-CG1 3.54Å; M66-V234 HydrophobicContact SD-CG1 4.29Å; M66-Y235 HydrophobicContact CE-CD1 3.87Å; M66-Y235 HydrophobicContact CE-CE1 3.94Å; M66-R238 HydrophobicContact CE-CB 4.39Å; M66-R238 HydrophobicContact SD-CB 3.47Å; M66-R238 WeakPolarHBondContact SD-CB 3.49Å; M66-R238 VanDerWaalsContact SD-CD 3.52Å; M66-R238 HydrophobicContact SD-CG 4.15Å |
| 67 | K | 87.7 | Confident | 91.3 | Very high | 152 Ų | 152 | 44.6 Ų | 44.6 | 66% | 0.661 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.7 | -24.7 | 177.5 | -80.4 | 179.8 | 176.9 | -174.3 | 0 | 113.7 | V63 R64 I65 D69 | V63-K67 HydrophobicContact CG1-CD 4.25Å; V63-K67 WeakPolarHBondContact O-CB 3.18Å; V63-K67 VanDerWaalsContact O-CG 3.3Å; V63-K67 WeakPolarHBondContact O-CG 3.39Å; V63-K67 PolarHBondContact O-N 2.91Å; R64-K67 PolarHBondContact O-N 3.13Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.9Å; K67-D69 VanDerWaalsContact C-N 3.35Å |
| 68 | N | 88.8 | Confident | 91.5 | Very high | 124 Ų | 124 | 49 Ų | 49 | 66% | 0.663 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 18.3 | 179.1 | -64.5 | -9.3 | 0 | 0 | 0 | 111.6 | R64 I65 M66 G70 | R64-N68 PolarHBondContact O-N 3.33Å; I65-N68 CarbonylContact O-C 3.5Å; I65-N68 PolarHBondContact O-N 3.25Å; I65-N68 VanDerWaalsContact O-N 3.14Å; M66-N68 PolarHBondContact O-N 3.14Å; N68-G70 PolarHBondContact O-N 3.5Å; N68-G70 VanDerWaalsContact O-N 3.11Å |
| 69 | D | 84.1 | Confident | 91.6 | Very high | 104 Ų | 104 | 49.5 Ų | 49.5 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 29.5 | -175.8 | -61.1 | -48.6 | 0 | 0 | 0 | 114.1 | I65 M66 K67 | I65-D69 PolarHBondContact O-N 3.3Å; M66-D69 PolarHBondContact O-N 3.02Å; K67-D69 VanDerWaalsContact C-N 3.35Å |
| 70 | G | 88.4 | Confident | 91.8 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | trans | -87 | 163 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I65 N68 | I65-G70 WeakPolarHBondContact CG2-O 3.48Å; I65-G70 WeakPolarHBondContact O-CA 3.29Å; I65-G70 PolarHBondContact O-N 2.83Å; N68-G70 PolarHBondContact O-N 3.5Å; N68-G70 VanDerWaalsContact O-N 3.11Å | ||
| 71 | I | 91.4 | Very high | 91.8 | Very high | 14 Ų | 14 | 53.1 Ų | 53.1 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | trans | -98.7 | 115.7 | -179 | -52.2 | -56.9 | 0 | 0 | 0 | 110.5 | H73 N74 L488 D490 L494 | I71-H73 HydrophobicContact CG2-CB 3.98Å; I71-H73 PolarHBondContact O-N 2.75Å; I71-N74 HydrophobicContact CB-CB 4.44Å; I71-N74 WeakPolarHBondContact O-CB 3.39Å; I71-N74 PolarHBondContact O-N 2.96Å; I71-L488 HydrophobicContact CD1-CB 3.77Å; I71-L488 WeakPolarHBondContact CD1-O 3.28Å; I71-L488 HydrophobicContact CG1-CB 3.89Å; I71-D490 HydrophobicContact CD1-CB 3.91Å; I71-L494 HydrophobicContact CG2-CD2 4.44Å | ||
| 72 | V | 91.9 | Very high | 92 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -33.9 | 178.9 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | F62 I65 M66 N74 K75 F76 | F62-V72 HydrophobicContact CB-CG2 4.3Å; F62-V72 HydrophobicContact CD1-CG1 3.6Å; F62-V72 HydrophobicContact CD1-CG2 4.42Å; F62-V72 HydrophobicContact CE1-CG1 3.96Å; F62-V72 HydrophobicContact CG-CG1 4.23Å; I65-V72 HydrophobicContact CB-CG2 4.39Å; I65-V72 HydrophobicContact CG2-CG2 3.99Å; M66-V72 HydrophobicContact CG-CG2 4.2Å; V72-N74 VanDerWaalsContact C-N 3.29Å; V72-N74 PolarHBondContact O-N 3.11Å; V72-K75 WeakPolarHBondContact O-CA 3.25Å; V72-K75 VanDerWaalsContact O-CB 3.26Å; V72-K75 WeakPolarHBondContact O-CB 3.42Å; V72-K75 PolarHBondContact O-N 3.01Å; V72-F76 HydrophobicContact CG1-CE1 3.83Å; V72-F76 HydrophobicContact CG1-CE2 3.94Å; V72-F76 HydrophobicContact CG1-CZ 3.49Å; V72-F76 VanDerWaalsContact CG1-CZ 3.49Å; V72-F76 PolarHBondContact O-N 3.2Å |
| 73 | H | 92.5 | Very high | 92.1 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 7% | 0.069 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.3 | -25.4 | 177.8 | -63 | -75.9 | 0 | 0 | 0 | 114 | I71 K75 F76 L77 R238 P386 Y414 D490 | I71-H73 HydrophobicContact CG2-CB 3.98Å; I71-H73 PolarHBondContact O-N 2.75Å; H73-K75 VanDerWaalsContact C-N 3.29Å; H73-F76 AromaticContact CE1-CE2 3.93Å; H73-F76 AromaticContact ND1-CD2 3.55Å; H73-F76 AromaticContact ND1-CE2 3.76Å; H73-F76 PolarHBondContact O-N 3.04Å; H73-L77 PolarHBondContact O-N 3.14Å; H73-L77 VanDerWaalsContact O-N 3.1Å; H73-R238 PolarHBondContact NE2-NH2 3.21Å; H73-P386 WeakPolarHBondContact CE1-CG 3.35Å; H73-P386 WeakPolarHBondContact NE2-CG 3.39Å; H73-Y414 HydrophobicContact CB-CD1 3.52Å; H73-Y414 HydrophobicContact CB-CD2 4.29Å; H73-Y414 HydrophobicContact CB-CE1 3.84Å; H73-Y414 HydrophobicContact CB-CG 3.77Å; H73-D490 IonicContact CD2-OD2 3.19Å; H73-D490 IonicContact NE2-OD2 3.54Å |
| 74 | N | 94 | Very high | 92.1 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 40% | 0.401 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 169.3 | -73.4 | -14.9 | 0 | 0 | 0 | 111.1 | I71 V72 F76 L77 E78 Y414 | I71-N74 HydrophobicContact CB-CB 4.44Å; I71-N74 WeakPolarHBondContact O-CB 3.39Å; I71-N74 PolarHBondContact O-N 2.96Å; V72-N74 VanDerWaalsContact C-N 3.29Å; V72-N74 PolarHBondContact O-N 3.11Å; N74-F76 VanDerWaalsContact C-N 3.29Å; N74-F76 PolarHBondContact O-N 2.94Å; N74-L77 WeakPolarHBondContact O-CB 3.42Å; N74-L77 PolarHBondContact O-N 3.18Å; N74-E78 PolarHBondContact O-N 3.13Å; N74-Y414 VanDerWaalsContact OD1-CE1 3.3Å; N74-Y414 WeakPolarHBondContact OD1-CE1 3.34Å; N74-Y414 VanDerWaalsContact OD1-CZ 3.3Å; N74-Y414 PolarHBondContact OD1-OH 3.49Å |
| 75 | K | 93.9 | Very high | 92.1 | Very high | 46 Ų | 46 | 53 Ų | 53 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -34.4 | 175.8 | -162.4 | 73.1 | -160.7 | 167.7 | 0 | 111.8 | I65 V72 H73 E78 W79 | I65-K75 HydrophobicContact CD1-CB 3.87Å; I65-K75 HydrophobicContact CD1-CD 4.15Å; I65-K75 HydrophobicContact CD1-CG 3.97Å; V72-K75 WeakPolarHBondContact O-CA 3.25Å; V72-K75 VanDerWaalsContact O-CB 3.26Å; V72-K75 WeakPolarHBondContact O-CB 3.42Å; V72-K75 PolarHBondContact O-N 3.01Å; H73-K75 VanDerWaalsContact C-N 3.29Å; K75-E78 WeakPolarHBondContact CD-OE2 3.37Å; K75-E78 WeakPolarHBondContact CE-OE2 3.37Å; K75-E78 IonicContact NZ-OE1 3.28Å; K75-E78 PolarHBondContact NZ-OE1 3.43Å; K75-E78 IonicContact NZ-OE2 3.37Å; K75-E78 PolarHBondContact NZ-OE2 3.14Å; K75-W79 HydrophobicContact CD-CZ2 4.35Å; K75-W79 HydrophobicContact CG-CD2 4.04Å; K75-W79 HydrophobicContact CG-CE3 4.32Å; K75-W79 HydrophobicContact CG-CH2 4.04Å; K75-W79 HydrophobicContact CG-CZ2 3.71Å; K75-W79 HydrophobicContact CG-CZ3 4.34Å; K75-W79 WeakPolarHBondContact O-CB 3.47Å; K75-W79 VanDerWaalsContact O-CG 3.26Å; K75-W79 PolarHBondContact O-N 3.42Å |
| 76 | F | 94.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 174.4 | -60.2 | -22.9 | 0 | 0 | 0 | 112.6 | F62 V72 H73 N74 W79 A80 Y87 M89 M410 | F62-F76 AromaticContact CE1-CE1 3.69Å; F62-F76 HydrophobicContact CE1-CE1 3.69Å; F62-F76 HydrophobicContact CE1-CZ 4.33Å; F62-F76 AromaticContact CZ-CE1 3.83Å; F62-F76 HydrophobicContact CZ-CE1 3.83Å; F62-F76 HydrophobicContact CZ-CZ 4.36Å; V72-F76 HydrophobicContact CG1-CE1 3.83Å; V72-F76 HydrophobicContact CG1-CE2 3.94Å; V72-F76 HydrophobicContact CG1-CZ 3.49Å; V72-F76 VanDerWaalsContact CG1-CZ 3.49Å; V72-F76 PolarHBondContact O-N 3.2Å; H73-F76 AromaticContact CE1-CE2 3.93Å; H73-F76 AromaticContact ND1-CD2 3.55Å; H73-F76 AromaticContact ND1-CE2 3.76Å; H73-F76 PolarHBondContact O-N 3.04Å; N74-F76 VanDerWaalsContact C-N 3.29Å; N74-F76 PolarHBondContact O-N 2.94Å; F76-W79 HydrophobicContact CD1-CE3 4.05Å; F76-W79 HydrophobicContact CD1-CZ3 4.15Å; F76-W79 HydrophobicContact CE1-CZ3 4.2Å; F76-A80 WeakPolarHBondContact O-CB 3.31Å; F76-A80 PolarHBondContact O-N 3.2Å; F76-Y87 VanDerWaalsContact CA-OH 3.24Å; F76-Y87 WeakPolarHBondContact CA-OH 3.34Å; F76-Y87 WeakPolarHBondContact CB-OH 3.43Å; F76-Y87 PolarHBondContact O-OH 2.99Å; F76-M89 HydrophobicContact CD1-SD 4.2Å; F76-M89 HydrophobicContact CE1-CE 3.89Å; F76-M89 HydrophobicContact CE1-SD 3.53Å; F76-M89 VanDerWaalsContact CE1-SD 3.53Å; F76-M89 HydrophobicContact CZ-CE 3.88Å; F76-M89 HydrophobicContact CZ-SD 4.12Å; F76-M410 HydrophobicContact CD1-CE 4.27Å; F76-M410 HydrophobicContact CD2-CE 3.33Å; F76-M410 HydrophobicContact CD2-SD 4.48Å; F76-M410 HydrophobicContact CE1-CE 4.25Å; F76-M410 HydrophobicContact CE2-CE 3.31Å; F76-M410 HydrophobicContact CE2-SD 3.94Å; F76-M410 HydrophobicContact CG-CE 3.84Å; F76-M410 HydrophobicContact CZ-CE 3.79Å; F76-M410 HydrophobicContact CZ-SD 4.32Å |
| 77 | L | 94.8 | Very high | 92.5 | Very high | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 172.3 | 176.2 | 61.9 | 0 | 0 | 0 | 111.2 | H73 N74 W79 A80 E81 A415 R418 M419 | H73-L77 PolarHBondContact O-N 3.14Å; H73-L77 VanDerWaalsContact O-N 3.1Å; N74-L77 WeakPolarHBondContact O-CB 3.42Å; N74-L77 PolarHBondContact O-N 3.18Å; L77-W79 VanDerWaalsContact C-N 3.27Å; L77-W79 PolarHBondContact O-N 2.97Å; L77-A80 WeakPolarHBondContact O-CB 3.22Å; L77-A80 PolarHBondContact O-N 2.91Å; L77-E81 HydrophobicContact CD1-CG 4.33Å; L77-E81 WeakPolarHBondContact O-CG 3.42Å; L77-E81 PolarHBondContact O-N 3.29Å; L77-A415 HydrophobicContact CB-CB 4.38Å; L77-A415 HydrophobicContact CD1-CB 4.3Å; L77-R418 HydrophobicContact CD1-CB 4.21Å; L77-R418 HydrophobicContact CD2-CB 3.72Å; L77-R418 HydrophobicContact CD2-CG 4.43Å; L77-M419 HydrophobicContact CD1-CG 3.88Å |
| 78 | E | 95.3 | Very high | 92.9 | Very high | 91 Ų | 91 | 43.8 Ų | 43.8 | 43% | 0.425 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.4 | -43.1 | 177.6 | -175.2 | -163.8 | 140.6 | 0 | 0 | 111.8 | N74 K75 E81 T82 | N74-E78 PolarHBondContact O-N 3.13Å; K75-E78 WeakPolarHBondContact CD-OE2 3.37Å; K75-E78 WeakPolarHBondContact CE-OE2 3.37Å; K75-E78 IonicContact NZ-OE1 3.28Å; K75-E78 PolarHBondContact NZ-OE1 3.43Å; K75-E78 IonicContact NZ-OE2 3.37Å; K75-E78 PolarHBondContact NZ-OE2 3.14Å; E78-E81 PolarHBondContact O-N 3.24Å; E78-T82 WeakPolarHBondContact O-CB 3.46Å; E78-T82 PolarHBondContact O-N 2.68Å; E78-T82 PolarHBondContact O-OG1 3.35Å |
| 79 | W | 95.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 38 Ų | 38 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.1 | -35.2 | 177.2 | -71.3 | -18.1 | 0 | 0 | 0 | 113.3 | P49 H58 T61 F62 K75 F76 L77 E81 T82 Y83 Y87 M89 | P49-W79 HydrophobicContact CB-CD2 4.29Å; P49-W79 HydrophobicContact CB-CZ2 3.83Å; P49-W79 HydrophobicContact CG-CD2 3.76Å; P49-W79 HydrophobicContact CG-CE3 4Å; P49-W79 HydrophobicContact CG-CG 4.33Å; P49-W79 HydrophobicContact CG-CH2 4.01Å; P49-W79 HydrophobicContact CG-CZ2 3.77Å; P49-W79 HydrophobicContact CG-CZ3 4.11Å; H58-W79 HydrophobicContact CB-CH2 4.38Å; T61-W79 HydrophobicContact CG2-CH2 4.44Å; T61-W79 HydrophobicContact CG2-CZ2 4.38Å; F62-W79 AromaticContact CE1-CH2 3.79Å; F62-W79 HydrophobicContact CE1-CH2 3.79Å; F62-W79 AromaticContact CE1-CZ3 3.79Å; F62-W79 HydrophobicContact CE1-CZ3 3.79Å; F62-W79 HydrophobicContact CZ-CH2 4.13Å; F62-W79 AromaticContact CZ-CZ3 3.96Å; F62-W79 HydrophobicContact CZ-CZ3 3.96Å; K75-W79 HydrophobicContact CD-CZ2 4.35Å; K75-W79 HydrophobicContact CG-CD2 4.04Å; K75-W79 HydrophobicContact CG-CE3 4.32Å; K75-W79 HydrophobicContact CG-CH2 4.04Å; K75-W79 HydrophobicContact CG-CZ2 3.71Å; K75-W79 HydrophobicContact CG-CZ3 4.34Å; K75-W79 WeakPolarHBondContact O-CB 3.47Å; K75-W79 VanDerWaalsContact O-CG 3.26Å; K75-W79 PolarHBondContact O-N 3.42Å; F76-W79 HydrophobicContact CD1-CE3 4.05Å; F76-W79 HydrophobicContact CD1-CZ3 4.15Å; F76-W79 HydrophobicContact CE1-CZ3 4.2Å; L77-W79 VanDerWaalsContact C-N 3.27Å; L77-W79 PolarHBondContact O-N 2.97Å; W79-E81 VanDerWaalsContact C-N 3.31Å; W79-T82 PolarHBondContact O-N 2.75Å; W79-Y83 HydrophobicContact CB-CD2 4Å; W79-Y83 HydrophobicContact CB-CE2 4.4Å; W79-Y83 AromaticContact CD1-CE2 3.69Å; W79-Y83 HydrophobicContact CG-CD2 4.25Å; W79-Y83 HydrophobicContact CG-CE2 4.15Å; W79-Y83 WeakPolarHBondContact O-CB 3.2Å; W79-Y83 WeakPolarHBondContact O-CD2 3.25Å; W79-Y83 PolarHBondContact O-N 2.78Å; W79-Y87 HydrophobicContact CB-CD1 4.37Å; W79-Y87 HydrophobicContact CB-CD2 4.09Å; W79-Y87 HydrophobicContact CB-CE1 3.97Å; W79-Y87 HydrophobicContact CB-CE2 3.7Å; W79-Y87 HydrophobicContact CB-CG 4.42Å; W79-Y87 HydrophobicContact CD2-CE2 4.31Å; W79-Y87 AromaticContact CE3-CE2 3.71Å; W79-Y87 HydrophobicContact CE3-CE2 3.71Å; W79-Y87 HydrophobicContact CG-CE2 4.37Å; W79-M89 HydrophobicContact CZ3-CB 4.45Å; W79-M89 HydrophobicContact CZ3-SD 4.17Å |
| 80 | A | 94.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F76 L77 G84 Y87 T100 | F76-A80 WeakPolarHBondContact O-CB 3.31Å; F76-A80 PolarHBondContact O-N 3.2Å; L77-A80 WeakPolarHBondContact O-CB 3.22Å; L77-A80 PolarHBondContact O-N 2.91Å; A80-G84 CarbonylContact O-C 3.54Å; A80-G84 VanDerWaalsContact O-CA 3.31Å; A80-G84 WeakPolarHBondContact O-CA 3.26Å; A80-G84 PolarHBondContact O-N 3.2Å; A80-G84 VanDerWaalsContact O-N 3.1Å; A80-G84 VanDerWaalsContact O-O 3.11Å; A80-Y87 HydrophobicContact CB-CD1 4.42Å; A80-Y87 HydrophobicContact CB-CE1 3.96Å; A80-T100 HydrophobicContact CB-CG2 4.01Å |
| 81 | E | 93.4 | Very high | 93.6 | Very high | 124 Ų | 124 | 32.3 Ų | 32.3 | 58% | 0.579 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -71.1 | -34.6 | 176.7 | -68.5 | 175 | 163.1 | 0 | 0 | 112.3 | L77 E78 W79 | L77-E81 HydrophobicContact CD1-CG 4.33Å; L77-E81 WeakPolarHBondContact O-CG 3.42Å; L77-E81 PolarHBondContact O-N 3.29Å; E78-E81 PolarHBondContact O-N 3.24Å; W79-E81 VanDerWaalsContact C-N 3.31Å |
| 82 | T | 95.2 | Very high | 93.4 | Very high | 90 Ų | 90 | 33.3 Ų | 33.3 | 55% | 0.552 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -82.1 | -44.1 | -177.3 | -55.7 | 0 | 0 | 0 | 0 | 113.3 | E78 W79 | E78-T82 WeakPolarHBondContact O-CB 3.46Å; E78-T82 PolarHBondContact O-N 2.68Å; E78-T82 PolarHBondContact O-OG1 3.35Å; W79-T82 PolarHBondContact O-N 2.75Å |
| 83 | Y | 93.9 | Very high | 93.3 | Very high | 74 Ų | 74 | 35.1 Ų | 35.1 | 29% | 0.29 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -104 | -6.5 | -171.2 | -61.8 | -68.6 | 0 | 0 | 0 | 113.4 | G48 P49 W79 | G48-Y83 WeakPolarHBondContact O-CE1 2.93Å; P49-Y83 WeakPolarHBondContact CA-OH 3.15Å; P49-Y83 HydrophobicContact CB-CE2 4.01Å; P49-Y83 HydrophobicContact CG-CE2 4.37Å; W79-Y83 HydrophobicContact CB-CD2 4Å; W79-Y83 HydrophobicContact CB-CE2 4.4Å; W79-Y83 AromaticContact CD1-CE2 3.69Å; W79-Y83 HydrophobicContact CG-CD2 4.25Å; W79-Y83 HydrophobicContact CG-CE2 4.15Å; W79-Y83 WeakPolarHBondContact O-CB 3.2Å; W79-Y83 WeakPolarHBondContact O-CD2 3.25Å; W79-Y83 PolarHBondContact O-N 2.78Å |
| 84 | G | 91.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 23% | 0.227 | 19% | 0.192 | C | C | . | . | trans | 93.7 | -171 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A80 V86 | A80-G84 CarbonylContact O-C 3.54Å; A80-G84 VanDerWaalsContact O-CA 3.31Å; A80-G84 WeakPolarHBondContact O-CA 3.26Å; A80-G84 PolarHBondContact O-N 3.2Å; A80-G84 VanDerWaalsContact O-N 3.1Å; A80-G84 VanDerWaalsContact O-O 3.11Å; G84-V86 PolarHBondContact O-N 3.18Å | ||
| 85 | P | 91.4 | Very high | 93.2 | Very high | 33 Ų | 33 | 35.4 Ų | 35.4 | 21% | 0.214 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -71.7 | -16.5 | -166 | 26.7 | -33.6 | 0 | 0 | 0 | 114.5 | V99 T100 D399 | P85-V99 WeakPolarHBondContact O-CA 3.49Å; P85-T100 VanDerWaalsContact CA-OG1 3.28Å; P85-T100 WeakPolarHBondContact CA-OG1 3.43Å; P85-T100 PolarHBondContact O-N 3.28Å; P85-T100 PolarHBondContact O-OG1 2.88Å; P85-D399 HydrophobicContact CG-CB 4.24Å; P85-D399 WeakPolarHBondContact CG-OD2 3.46Å |
| 86 | V | 94.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 114.2 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | G84 V99 I398 D399 L403 | G84-V86 PolarHBondContact O-N 3.18Å; V86-V99 HydrophobicContact CG1-CG2 4.47Å; V86-V99 HydrophobicContact CG2-CG2 4.49Å; V86-I398 HydrophobicContact CG2-CB 3.98Å; V86-I398 HydrophobicContact CG2-CG2 3.47Å; V86-I398 VanDerWaalsContact CG2-CG2 3.47Å; V86-D399 HydrophobicContact CG2-CB 4.44Å; V86-L403 HydrophobicContact CG1-CD1 4.26Å; V86-L403 HydrophobicContact CG1-CD2 4.09Å |
| 87 | Y | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 151 | 174.1 | 74 | -94 | 0 | 0 | 0 | 111.5 | P47 F76 W79 A80 L97 V98 | P47-Y87 CarbonylContact O-C 3.55Å; P47-Y87 VanDerWaalsContact O-CA 3.22Å; P47-Y87 WeakPolarHBondContact O-CA 3.44Å; F76-Y87 VanDerWaalsContact CA-OH 3.24Å; F76-Y87 WeakPolarHBondContact CA-OH 3.34Å; F76-Y87 WeakPolarHBondContact CB-OH 3.43Å; F76-Y87 PolarHBondContact O-OH 2.99Å; W79-Y87 HydrophobicContact CB-CD1 4.37Å; W79-Y87 HydrophobicContact CB-CD2 4.09Å; W79-Y87 HydrophobicContact CB-CE1 3.97Å; W79-Y87 HydrophobicContact CB-CE2 3.7Å; W79-Y87 HydrophobicContact CB-CG 4.42Å; W79-Y87 HydrophobicContact CD2-CE2 4.31Å; W79-Y87 AromaticContact CE3-CE2 3.71Å; W79-Y87 HydrophobicContact CE3-CE2 3.71Å; W79-Y87 HydrophobicContact CG-CE2 4.37Å; A80-Y87 HydrophobicContact CB-CD1 4.42Å; A80-Y87 HydrophobicContact CB-CE1 3.96Å; Y87-L97 WeakPolarHBondContact O-CA 3.32Å; Y87-V98 HydrophobicContact CD1-CB 4.08Å; Y87-V98 HydrophobicContact CD2-CB 4.38Å; Y87-V98 HydrophobicContact CD2-CG2 4.41Å; Y87-V98 HydrophobicContact CE1-CB 3.49Å; Y87-V98 VanDerWaalsContact CE1-CB 3.49Å; Y87-V98 HydrophobicContact CE1-CG1 3.71Å; Y87-V98 HydrophobicContact CE1-CG2 4.18Å; Y87-V98 HydrophobicContact CE2-CB 3.8Å; Y87-V98 HydrophobicContact CE2-CG2 3.59Å; Y87-V98 HydrophobicContact CG-CB 4.49Å; Y87-V98 VanDerWaalsContact CZ-CG2 3.46Å; Y87-V98 PolarHBondContact N-O 3.36Å; Y87-V98 VanDerWaalsContact N-O 3.17Å; Y87-V98 PolarHBondContact O-N 2.68Å; Y87-V98 WeakPolarHBondContact OH-CB 3.37Å; Y87-V98 WeakPolarHBondContact OH-CG1 3.46Å; Y87-V98 WeakPolarHBondContact OH-CG2 3.39Å |
| 88 | R | 95.2 | Very high | 93.3 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 9% | 0.087 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 148.9 | 180 | 79.9 | -168.7 | -174.7 | 147.4 | -0.7 | 112 | Y43 D44 I46 P47 P49 R51 L97 | Y43-R88 VanDerWaalsContact O-CD 3.28Å; Y43-R88 WeakPolarHBondContact O-CD 3.23Å; Y43-R88 PolarHBondContact O-NH1 2.73Å; D44-R88 IonicContact OD1-CZ 3.68Å; D44-R88 IonicContact OD1-NH1 2.71Å; D44-R88 PolarHBondContact OD1-NH1 3.44Å; D44-R88 IonicContact OD1-NH2 2.73Å; D44-R88 PolarHBondContact OD1-NH2 3.24Å; I46-R88 HydrophobicContact CB-CB 4.45Å; I46-R88 HydrophobicContact CG2-CB 4.16Å; I46-R88 WeakPolarHBondContact O-CD 3.48Å; P47-R88 PolarHBondContact O-N 3.01Å; P49-R88 WeakPolarHBondContact CD-O 3.08Å; R51-R88 VanDerWaalsContact NH2-CZ 3.29Å; R88-L97 HydrophobicContact CB-CD2 3.45Å; R88-L97 VanDerWaalsContact CB-CD2 3.45Å |
| 89 | M | 94.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 165 | 160.1 | 65.8 | -179.2 | -177.9 | 0 | 0 | 109.8 | F62 F76 W79 I96 V98 M410 | F62-M89 HydrophobicContact CZ-SD 3.84Å; F76-M89 HydrophobicContact CD1-SD 4.2Å; F76-M89 HydrophobicContact CE1-CE 3.89Å; F76-M89 HydrophobicContact CE1-SD 3.53Å; F76-M89 VanDerWaalsContact CE1-SD 3.53Å; F76-M89 HydrophobicContact CZ-CE 3.88Å; F76-M89 HydrophobicContact CZ-SD 4.12Å; W79-M89 HydrophobicContact CZ3-CB 4.45Å; W79-M89 HydrophobicContact CZ3-SD 4.17Å; M89-I96 HydrophobicContact CE-CB 3.87Å; M89-I96 HydrophobicContact CE-CD1 4.06Å; M89-I96 HydrophobicContact CE-CG2 3.41Å; M89-I96 VanDerWaalsContact CE-CG2 3.41Å; M89-I96 HydrophobicContact CG-CB 3.84Å; M89-I96 HydrophobicContact CG-CG2 4.28Å; M89-I96 PolarHBondContact N-O 3.27Å; M89-I96 PolarHBondContact O-N 3.47Å; M89-V98 HydrophobicContact CE-CG2 3.67Å; M89-V98 HydrophobicContact CG-CG2 4.31Å; M89-V98 HydrophobicContact SD-CG2 3.97Å; M89-M410 HydrophobicContact CE-CE 3.65Å; M89-M410 HydrophobicContact CE-SD 3.69Å |
| 90 | N | 91.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.9 | -174.1 | -70.2 | 70.1 | 0 | 0 | 0 | 109.3 | R51 H58 Y94 I95 | R51-N90 PolarHBondContact NE-OD1 3.35Å; H58-N90 PolarHBondContact N-O 2.74Å; H58-N90 PolarHBondContact ND1-N 2.91Å; H58-N90 PolarHBondContact ND1-O 2.92Å; N90-Y94 WeakPolarHBondContact CA-O 3.3Å; N90-I95 WeakPolarHBondContact ND2-CD1 3.37Å |
| 91 | I | 89.8 | Confident | 93.1 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 111.4 | 165.3 | -61 | -178 | 0 | 0 | 0 | 106.1 | S59 F62 Y94 I96 F119 | S59-I91 WeakPolarHBondContact OG-CG2 3.28Å; F62-I91 HydrophobicContact CD2-CD1 4.31Å; F62-I91 HydrophobicContact CE2-CD1 3.89Å; F62-I91 HydrophobicContact CE2-CG1 3.94Å; I91-Y94 PolarHBondContact N-O 2.72Å; I91-Y94 VanDerWaalsContact N-O 3.11Å; I91-Y94 WeakPolarHBondContact O-CB 3.34Å; I91-Y94 PolarHBondContact O-N 3.01Å; I91-I96 HydrophobicContact CB-CD1 4.31Å; I91-I96 HydrophobicContact CD1-CD1 3.59Å; I91-I96 HydrophobicContact CG1-CD1 3.85Å; I91-F119 HydrophobicContact CB-CE1 4.4Å; I91-F119 HydrophobicContact CB-CZ 4.04Å; I91-F119 HydrophobicContact CD1-CE1 4.33Å; I91-F119 HydrophobicContact CG2-CE1 3.99Å; I91-F119 HydrophobicContact CG2-CE2 4.18Å; I91-F119 HydrophobicContact CG2-CZ 3.36Å |
| 92 | L | 88.1 | Confident | 93.1 | Very high | 35 Ų | 35 | 22.6 Ų | 22.6 | 18% | 0.183 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -136.8 | -166.3 | -52 | 171.8 | 0 | 0 | 0 | 111 | F55 L56 Y94 | F55-L92 VanDerWaalsContact O-CA 3.3Å; F55-L92 WeakPolarHBondContact O-CA 3.37Å; L56-L92 HydrophobicContact CD2-CD2 3.65Å; L92-Y94 VanDerWaalsContact C-N 3.26Å; L92-Y94 HydrophobicContact CB-CD2 4.4Å |
| 93 | H | 88.8 | Confident | 93 | Very high | 40 Ų | 40 | 24.6 Ų | 24.6 | 19% | 0.185 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -4.5 | 172.9 | 61.8 | -91.6 | 0 | 0 | 0 | 113.5 | Y32 Y35 I36 | Y32-H93 HydrophobicContact CE2-CB 4.34Å; Y32-H93 AromaticContact CE2-ND1 3.71Å; Y32-H93 AromaticContact CZ-ND1 3.79Å; Y32-H93 PolarHBondContact OH-ND1 2.83Å; Y35-H93 HydrophobicContact CD1-CB 4.44Å; Y35-H93 HydrophobicContact CE1-CB 3.96Å; Y35-H93 AromaticContact CE1-CD2 3.9Å; I36-H93 HydrophobicContact CG1-CB 4.07Å |
| 94 | Y | 91.3 | Very high | 93 | Very high | 90 Ų | 90 | 21.2 Ų | 21.2 | 35% | 0.353 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129.4 | -179 | -63.7 | -89.6 | 0 | 0 | 0 | 110.7 | N90 I91 L92 F119 | N90-Y94 WeakPolarHBondContact CA-O 3.3Å; I91-Y94 PolarHBondContact N-O 2.72Å; I91-Y94 VanDerWaalsContact N-O 3.11Å; I91-Y94 WeakPolarHBondContact O-CB 3.34Å; I91-Y94 PolarHBondContact O-N 3.01Å; L92-Y94 VanDerWaalsContact C-N 3.26Å; L92-Y94 HydrophobicContact CB-CD2 4.4Å; Y94-F119 HydrophobicContact CD1-CB 4.19Å; Y94-F119 AromaticContact CD1-CD2 3.82Å; Y94-F119 HydrophobicContact CD1-CD2 3.82Å; Y94-F119 HydrophobicContact CD1-CG 4.37Å; Y94-F119 AromaticContact CD2-CD2 3.18Å; Y94-F119 HydrophobicContact CD2-CD2 3.18Å; Y94-F119 AromaticContact CD2-CE2 3.28Å; Y94-F119 HydrophobicContact CD2-CE2 3.28Å; Y94-F119 HydrophobicContact CD2-CG 4.32Å; Y94-F119 HydrophobicContact CE1-CB 4.39Å; Y94-F119 AromaticContact CE1-CD2 3.99Å; Y94-F119 HydrophobicContact CE1-CD2 3.99Å; Y94-F119 AromaticContact CE2-CD2 3.36Å; Y94-F119 HydrophobicContact CE2-CD2 3.36Å; Y94-F119 AromaticContact CE2-CE2 3.59Å; Y94-F119 HydrophobicContact CE2-CE2 3.59Å; Y94-F119 HydrophobicContact CG-CB 4.47Å; Y94-F119 AromaticContact CG-CD2 3.41Å; Y94-F119 HydrophobicContact CG-CD2 3.41Å; Y94-F119 VanDerWaalsContact CG-CD2 3.41Å; Y94-F119 AromaticContact CG-CE2 3.88Å; Y94-F119 HydrophobicContact CG-CE2 3.88Å; Y94-F119 HydrophobicContact CG-CG 4.17Å; Y94-F119 AromaticContact CZ-CD2 3.77Å |
| 95 | I | 93.7 | Very high | 93.2 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.3 | 173.9 | -55.7 | -52.7 | 0 | 0 | 0 | 109.2 | I39 Y43 N90 L97 F407 T408 | I39-I95 HydrophobicContact CG2-CD1 3.46Å; I39-I95 VanDerWaalsContact CG2-CD1 3.46Å; I39-I95 HydrophobicContact CG2-CG1 3.58Å; Y43-I95 HydrophobicContact CD1-CG2 3.92Å; Y43-I95 HydrophobicContact CD2-CB 4.5Å; Y43-I95 HydrophobicContact CD2-CD1 4.22Å; Y43-I95 HydrophobicContact CD2-CG1 3.64Å; Y43-I95 HydrophobicContact CD2-CG2 4.37Å; Y43-I95 HydrophobicContact CE1-CG2 4.07Å; Y43-I95 HydrophobicContact CE2-CB 4.37Å; Y43-I95 HydrophobicContact CE2-CG1 3.68Å; Y43-I95 HydrophobicContact CE2-CG2 4.49Å; Y43-I95 HydrophobicContact CG-CG1 4.15Å; Y43-I95 HydrophobicContact CG-CG2 4.06Å; N90-I95 WeakPolarHBondContact ND2-CD1 3.37Å; I95-L97 HydrophobicContact CG2-CD2 3.99Å; I95-L97 HydrophobicContact CG2-CG 4.3Å; I95-F407 HydrophobicContact CB-CB 4.12Å; I95-F407 HydrophobicContact CG2-CB 3.94Å; I95-T408 PolarHBondContact O-N 2.73Å |
| 96 | I | 94.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.062 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 120.2 | 173.3 | -52 | 172.4 | 0 | 0 | 0 | 107.3 | M89 I91 T408 M410 | M89-I96 HydrophobicContact CE-CB 3.87Å; M89-I96 HydrophobicContact CE-CD1 4.06Å; M89-I96 HydrophobicContact CE-CG2 3.41Å; M89-I96 VanDerWaalsContact CE-CG2 3.41Å; M89-I96 HydrophobicContact CG-CB 3.84Å; M89-I96 HydrophobicContact CG-CG2 4.28Å; M89-I96 PolarHBondContact N-O 3.27Å; M89-I96 PolarHBondContact O-N 3.47Å; I91-I96 HydrophobicContact CB-CD1 4.31Å; I91-I96 HydrophobicContact CD1-CD1 3.59Å; I91-I96 HydrophobicContact CG1-CD1 3.85Å; I96-T408 CarbonylContact C-O 3.58Å; I96-T408 VanDerWaalsContact CA-O 3.27Å; I96-T408 WeakPolarHBondContact CA-O 3.31Å; I96-T408 HydrophobicContact CG2-CG2 4.27Å; I96-M410 HydrophobicContact CG2-CB 3.8Å |
| 97 | L | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.8 | 171.5 | -59.9 | -170.8 | 0 | 0 | 0 | 108.2 | I46 Y87 R88 I95 L403 F407 T408 C409 M410 | I46-L97 HydrophobicContact CD1-CD1 3.98Å; I46-L97 HydrophobicContact CD1-CD2 4.06Å; I46-L97 HydrophobicContact CG2-CD2 4.31Å; Y87-L97 WeakPolarHBondContact O-CA 3.32Å; R88-L97 HydrophobicContact CB-CD2 3.45Å; R88-L97 VanDerWaalsContact CB-CD2 3.45Å; I95-L97 HydrophobicContact CG2-CD2 3.99Å; I95-L97 HydrophobicContact CG2-CG 4.3Å; L97-L403 HydrophobicContact CD1-CB 4.23Å; L97-L403 HydrophobicContact CD1-CD1 3.82Å; L97-L403 HydrophobicContact CD1-CD2 3.72Å; L97-L403 HydrophobicContact CD1-CG 4.14Å; L97-F407 HydrophobicContact CB-CD2 3.84Å; L97-F407 HydrophobicContact CB-CE2 4.06Å; L97-F407 HydrophobicContact CD1-CD1 4.23Å; L97-F407 HydrophobicContact CD1-CD2 3.58Å; L97-F407 HydrophobicContact CD1-CE1 4.26Å; L97-F407 HydrophobicContact CD1-CE2 3.64Å; L97-F407 HydrophobicContact CD1-CG 3.89Å; L97-F407 HydrophobicContact CD1-CZ 3.98Å; L97-F407 HydrophobicContact CG-CB 4.37Å; L97-F407 HydrophobicContact CG-CD2 3.62Å; L97-F407 HydrophobicContact CG-CE2 4.07Å; L97-F407 HydrophobicContact CG-CG 4.05Å; L97-T408 PolarHBondContact N-O 3.1Å; L97-C409 CarbonylContact O-C 3.49Å; L97-C409 WeakPolarHBondContact O-CA 3.07Å; L97-M410 PolarHBondContact O-N 2.94Å |
| 98 | V | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.4 | 174.9 | -172.7 | 0 | 0 | 0 | 0 | 107.9 | Y87 M89 M410 | Y87-V98 HydrophobicContact CD1-CB 4.08Å; Y87-V98 HydrophobicContact CD2-CB 4.38Å; Y87-V98 HydrophobicContact CD2-CG2 4.41Å; Y87-V98 HydrophobicContact CE1-CB 3.49Å; Y87-V98 VanDerWaalsContact CE1-CB 3.49Å; Y87-V98 HydrophobicContact CE1-CG1 3.71Å; Y87-V98 HydrophobicContact CE1-CG2 4.18Å; Y87-V98 HydrophobicContact CE2-CB 3.8Å; Y87-V98 HydrophobicContact CE2-CG2 3.59Å; Y87-V98 HydrophobicContact CG-CB 4.49Å; Y87-V98 VanDerWaalsContact CZ-CG2 3.46Å; Y87-V98 PolarHBondContact N-O 3.36Å; Y87-V98 VanDerWaalsContact N-O 3.17Å; Y87-V98 PolarHBondContact O-N 2.68Å; Y87-V98 WeakPolarHBondContact OH-CB 3.37Å; Y87-V98 WeakPolarHBondContact OH-CG1 3.46Å; Y87-V98 WeakPolarHBondContact OH-CG2 3.39Å; M89-V98 HydrophobicContact CE-CG2 3.67Å; M89-V98 HydrophobicContact CG-CG2 4.31Å; M89-V98 HydrophobicContact SD-CG2 3.97Å; V98-M410 WeakPolarHBondContact CA-O 3.32Å; V98-M410 HydrophobicContact CB-CE 4.18Å; V98-M410 HydrophobicContact CG1-CE 3.75Å; V98-M410 HydrophobicContact CG2-CB 4.33Å; V98-M410 HydrophobicContact CG2-CE 3.41Å; V98-M410 VanDerWaalsContact CG2-CE 3.41Å |
| 99 | V | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.4 | -174.3 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | P85 V86 C101 A104 I398 C409 M410 L411 | P85-V99 WeakPolarHBondContact O-CA 3.49Å; V86-V99 HydrophobicContact CG1-CG2 4.47Å; V86-V99 HydrophobicContact CG2-CG2 4.49Å; V99-C101 HydrophobicContact CG1-CB 3.93Å; V99-A104 HydrophobicContact CG1-CB 3.69Å; V99-I398 HydrophobicContact CG1-CD1 4.37Å; V99-I398 HydrophobicContact CG1-CG2 4.08Å; V99-I398 HydrophobicContact CG2-CD1 4Å; V99-C409 VanDerWaalsContact CG2-SG 3.53Å; V99-M410 PolarHBondContact N-O 2.89Å; V99-L411 HydrophobicContact CB-CD2 4.11Å; V99-L411 HydrophobicContact CG1-CD2 4.34Å |
| 100 | T | 93.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | trans | -117.5 | 20.5 | 175.4 | 58.3 | 0 | 0 | 0 | 0 | 112 | A80 P85 A415 M416 M419 F422 | A80-T100 HydrophobicContact CB-CG2 4.01Å; P85-T100 VanDerWaalsContact CA-OG1 3.28Å; P85-T100 WeakPolarHBondContact CA-OG1 3.43Å; P85-T100 PolarHBondContact O-N 3.28Å; P85-T100 PolarHBondContact O-OG1 2.88Å; T100-A415 HydrophobicContact CG2-CB 4.25Å; T100-M416 HydrophobicContact CG2-CG 4.01Å; T100-M416 WeakPolarHBondContact O-CE 3.48Å; T100-M419 HydrophobicContact CG2-SD 4.14Å; T100-F422 WeakPolarHBondContact O-CE2 3.38Å; T100-F422 WeakPolarHBondContact O-CZ 3.42Å | ||
| 101 | C | 93 | Very high | 93.2 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 7% | 0.074 | 16% | 0.16 | C | C | . | . | trans | -87.5 | 124.7 | 175.9 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | V99 E103 A104 T105 I398 | V99-C101 HydrophobicContact CG1-CB 3.93Å; C101-E103 PolarHBondContact O-N 3.26Å; C101-E103 PolarHBondContact SG-OE2 3.43Å; C101-A104 HydrophobicContact CB-CB 4.01Å; C101-A104 PolarHBondContact O-N 2.85Å; C101-A104 PolarHBondContact SG-N 2.88Å; C101-T105 WeakPolarHBondContact O-CB 3.48Å; C101-T105 PolarHBondContact O-N 2.61Å; C101-T105 PolarHBondContact O-OG1 3.49Å; C101-I398 HydrophobicContact CB-CG2 4.09Å | ||
| 102 | P | 93.7 | Very high | 93.1 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 10% | 0.104 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -38.2 | 178.7 | -24.2 | 35.4 | 0 | 0 | 0 | 113.5 | T105 K106 M416 F422 Y443 C444 | P102-T105 WeakPolarHBondContact O-CB 3.18Å; P102-T105 PolarHBondContact O-N 3.18Å; P102-K106 PolarHBondContact O-N 3.33Å; P102-M416 HydrophobicContact CG-CE 4.1Å; P102-F422 HydrophobicContact CG-CD1 4.36Å; P102-F422 HydrophobicContact CG-CE1 3.56Å; P102-F422 HydrophobicContact CG-CZ 3.93Å; P102-Y443 VanDerWaalsContact O-CB 3.25Å; P102-Y443 WeakPolarHBondContact O-CB 3.45Å; P102-C444 WeakPolarHBondContact CG-SG 3.47Å |
| 103 | E | 93.2 | Very high | 93.1 | Very high | 132 Ų | 132 | 41.5 Ų | 41.5 | 62% | 0.617 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -65.5 | -45.9 | -179.8 | -63.2 | 68.4 | -151.1 | 0 | 0 | 110.8 | C101 T105 K106 E107 | C101-E103 PolarHBondContact O-N 3.26Å; C101-E103 PolarHBondContact SG-OE2 3.43Å; E103-T105 VanDerWaalsContact C-N 3.32Å; E103-T105 PolarHBondContact O-N 2.98Å; E103-K106 WeakPolarHBondContact O-CB 3.33Å; E103-K106 PolarHBondContact O-N 2.71Å; E103-E107 PolarHBondContact O-N 2.97Å |
| 104 | A | 93.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V99 C101 K106 E107 I108 I398 | V99-A104 HydrophobicContact CG1-CB 3.69Å; C101-A104 HydrophobicContact CB-CB 4.01Å; C101-A104 PolarHBondContact O-N 2.85Å; C101-A104 PolarHBondContact SG-N 2.88Å; A104-K106 VanDerWaalsContact C-N 3.31Å; A104-K106 PolarHBondContact O-N 2.88Å; A104-E107 PolarHBondContact O-N 3.17Å; A104-I108 HydrophobicContact CB-CD1 4.39Å; A104-I108 VanDerWaalsContact O-CB 3.25Å; A104-I108 WeakPolarHBondContact O-CB 3.2Å; A104-I108 VanDerWaalsContact O-CG1 3.25Å; A104-I108 WeakPolarHBondContact O-CG1 3.33Å; A104-I108 PolarHBondContact O-N 3.39Å; A104-I398 HydrophobicContact CB-CD1 3.96Å; A104-I398 HydrophobicContact CB-CG1 4.22Å; A104-I398 HydrophobicContact CB-CG2 3.73Å |
| 105 | T | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 174.9 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | C101 P102 E103 L109 L411 Y443 F446 L450 | C101-T105 WeakPolarHBondContact O-CB 3.48Å; C101-T105 PolarHBondContact O-N 2.61Å; C101-T105 PolarHBondContact O-OG1 3.49Å; P102-T105 WeakPolarHBondContact O-CB 3.18Å; P102-T105 PolarHBondContact O-N 3.18Å; E103-T105 VanDerWaalsContact C-N 3.32Å; E103-T105 PolarHBondContact O-N 2.98Å; T105-L109 HydrophobicContact CG2-CD1 3.66Å; T105-L109 HydrophobicContact CG2-CG 4.26Å; T105-L109 VanDerWaalsContact O-CB 3.26Å; T105-L109 WeakPolarHBondContact O-CB 3.47Å; T105-L109 WeakPolarHBondContact O-CG 3.49Å; T105-L109 PolarHBondContact O-N 2.99Å; T105-L411 HydrophobicContact CG2-CD2 4.45Å; T105-Y443 WeakPolarHBondContact CG2-O 3.26Å; T105-F446 HydrophobicContact CG2-CD1 4Å; T105-F446 HydrophobicContact CG2-CE1 3.77Å; T105-F446 HydrophobicContact CG2-CZ 4.21Å; T105-L450 HydrophobicContact CG2-CD1 4.46Å |
| 106 | K | 94.9 | Very high | 93.3 | Very high | 106 Ų | 106 | 37.8 Ų | 37.8 | 46% | 0.461 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.9 | -55.5 | 173.2 | 178.6 | -176.9 | -175.3 | -179.1 | 0 | 111.2 | P102 E103 A104 I108 M110 Y443 | P102-K106 PolarHBondContact O-N 3.33Å; E103-K106 WeakPolarHBondContact O-CB 3.33Å; E103-K106 PolarHBondContact O-N 2.71Å; A104-K106 VanDerWaalsContact C-N 3.31Å; A104-K106 PolarHBondContact O-N 2.88Å; K106-I108 PolarHBondContact O-N 3.01Å; K106-M110 HydrophobicContact CG-CG 4.27Å; K106-M110 WeakPolarHBondContact O-CB 3.4Å; K106-M110 WeakPolarHBondContact O-CG 3.37Å; K106-M110 PolarHBondContact O-N 3.42Å; K106-Y443 HydrophobicContact CB-CD1 3.56Å; K106-Y443 HydrophobicContact CB-CD2 3.91Å; K106-Y443 HydrophobicContact CB-CE1 3.6Å; K106-Y443 HydrophobicContact CB-CE2 3.94Å; K106-Y443 HydrophobicContact CB-CG 3.73Å; K106-Y443 HydrophobicContact CD-CD2 4.31Å; K106-Y443 HydrophobicContact CD-CE1 4.15Å; K106-Y443 HydrophobicContact CD-CE2 3.6Å; K106-Y443 WeakPolarHBondContact CD-OH 3.24Å; K106-Y443 WeakPolarHBondContact CE-OH 3.4Å; K106-Y443 HydrophobicContact CG-CD1 4.06Å; K106-Y443 HydrophobicContact CG-CD2 4.39Å; K106-Y443 HydrophobicContact CG-CE1 3.53Å; K106-Y443 HydrophobicContact CG-CE2 3.9Å; K106-Y443 HydrophobicContact CG-CG 4.47Å; K106-Y443 VanDerWaalsContact CG-CZ 3.43Å |
| 107 | E | 94.6 | Very high | 93 | Very high | 96 Ų | 96 | 37.3 Ų | 37.3 | 45% | 0.449 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.7 | -47 | -175.9 | -175.4 | 179.9 | 163.4 | 0 | 0 | 111.9 | E103 A104 S111 M396 | E103-E107 PolarHBondContact O-N 2.97Å; A104-E107 PolarHBondContact O-N 3.17Å; E107-S111 WeakPolarHBondContact O-CB 3.48Å; E107-M396 VanDerWaalsContact OE1-CE 3.23Å; E107-M396 WeakPolarHBondContact OE1-CE 3.45Å |
| 108 | I | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -77.6 | -41.7 | -172.5 | -64.8 | 170.7 | 0 | 0 | 0 | 111.8 | A104 K106 Y114 R390 I392 M396 I398 C409 L411 | A104-I108 HydrophobicContact CB-CD1 4.39Å; A104-I108 VanDerWaalsContact O-CB 3.25Å; A104-I108 WeakPolarHBondContact O-CB 3.2Å; A104-I108 VanDerWaalsContact O-CG1 3.25Å; A104-I108 WeakPolarHBondContact O-CG1 3.33Å; A104-I108 PolarHBondContact O-N 3.39Å; K106-I108 PolarHBondContact O-N 3.01Å; I108-Y114 HydrophobicContact CB-CD2 4.43Å; I108-Y114 HydrophobicContact CG2-CD2 4.33Å; I108-Y114 HydrophobicContact CG2-CG 4.46Å; I108-R390 HydrophobicContact CG2-CB 3.79Å; I108-R390 HydrophobicContact CG2-CG 3.63Å; I108-I392 HydrophobicContact CD1-CD1 4.29Å; I108-I392 HydrophobicContact CG1-CD1 4.31Å; I108-I392 HydrophobicContact CG2-CD1 4.21Å; I108-M396 HydrophobicContact CD1-SD 4.17Å; I108-M396 HydrophobicContact CG1-CE 4.34Å; I108-M396 HydrophobicContact CG1-SD 4.35Å; I108-I398 HydrophobicContact CD1-CD1 4.25Å; I108-C409 HydrophobicContact CD1-CB 4.29Å; I108-C409 VanDerWaalsContact CD1-SG 3.53Å; I108-L411 HydrophobicContact CB-CD1 4.38Å; I108-L411 HydrophobicContact CG2-CD1 3.98Å |
| 109 | L | 94.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -83.7 | -33.3 | -176.5 | -63.6 | -175.4 | 0 | 0 | 0 | 113.5 | T105 S111 T388 R390 L411 F446 L450 G451 | T105-L109 HydrophobicContact CG2-CD1 3.66Å; T105-L109 HydrophobicContact CG2-CG 4.26Å; T105-L109 VanDerWaalsContact O-CB 3.26Å; T105-L109 WeakPolarHBondContact O-CB 3.47Å; T105-L109 WeakPolarHBondContact O-CG 3.49Å; T105-L109 PolarHBondContact O-N 2.99Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-T388 HydrophobicContact CD1-CG2 4.45Å; L109-T388 HydrophobicContact CD2-CG2 3.72Å; L109-R390 HydrophobicContact CD2-CG 4.42Å; L109-L411 HydrophobicContact CD1-CD1 4.03Å; L109-L411 HydrophobicContact CD2-CD1 3.41Å; L109-L411 VanDerWaalsContact CD2-CD1 3.41Å; L109-L411 HydrophobicContact CG-CD1 3.55Å; L109-F446 HydrophobicContact CD1-CD2 4.25Å; L109-L450 HydrophobicContact CB-CB 3.93Å; L109-L450 HydrophobicContact CD1-CB 4.1Å; L109-L450 HydrophobicContact CD1-CD1 4.41Å; L109-L450 HydrophobicContact CD1-CG 4.4Å; L109-G451 WeakPolarHBondContact O-CA 3.5Å |
| 110 | M | 93.7 | Very high | 91.9 | Very high | 93 Ų | 93 | 46 Ų | 46 | 46% | 0.458 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -78.1 | -17.4 | -178.8 | -60.3 | -65 | -65.4 | 0 | 0 | 112.6 | K106 Y443 L450 G451 P452 | K106-M110 HydrophobicContact CG-CG 4.27Å; K106-M110 WeakPolarHBondContact O-CB 3.4Å; K106-M110 WeakPolarHBondContact O-CG 3.37Å; K106-M110 PolarHBondContact O-N 3.42Å; M110-Y443 HydrophobicContact CG-CE1 4.18Å; M110-Y443 HydrophobicContact SD-CE1 4.5Å; M110-L450 HydrophobicContact SD-CB 4.02Å; M110-G451 PolarHBondContact SD-N 2.66Å; M110-P452 WeakPolarHBondContact O-CD 3.33Å |
| 111 | S | 90.6 | Very high | 91.7 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 26% | 0.259 | 23% | 0.225 | S | C | . | . | trans | -90.6 | 134.3 | 179.9 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | E107 L109 K113 | E107-S111 WeakPolarHBondContact O-CB 3.48Å; L109-S111 VanDerWaalsContact C-N 3.29Å; S111-K113 PolarHBondContact O-N 2.71Å; S111-K113 VanDerWaalsContact OG-CB 3.23Å; S111-K113 WeakPolarHBondContact OG-CB 3.44Å; S111-K113 PolarHBondContact OG-N 2.94Å | ||
| 112 | P | 87.2 | Confident | 91.5 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -11.9 | 171.5 | 31 | -34.5 | 0 | 0 | 0 | 113 | Y114 P452 | P112-Y114 PolarHBondContact O-N 2.83Å; P112-P452 HydrophobicContact CB-CG 4.2Å |
| 113 | K | 89.8 | Confident | 91.2 | Very high | 155 Ų | 155 | 52.9 Ų | 52.9 | 67% | 0.674 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -32.8 | -176.4 | -178.3 | -178.7 | 175.3 | -175.6 | 0 | 113.3 | S111 P115 | S111-K113 PolarHBondContact O-N 2.71Å; S111-K113 VanDerWaalsContact OG-CB 3.23Å; S111-K113 WeakPolarHBondContact OG-CB 3.44Å; S111-K113 PolarHBondContact OG-N 2.94Å; K113-P115 WeakPolarHBondContact O-CD 3.48Å |
| 114 | Y | 92.4 | Very high | 90.9 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 7% | 0.071 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -96.3 | 111.5 | -173 | -54 | -72.3 | 0 | 0 | 0 | 110 | I108 P112 R390 I392 M396 | I108-Y114 HydrophobicContact CB-CD2 4.43Å; I108-Y114 HydrophobicContact CG2-CD2 4.33Å; I108-Y114 HydrophobicContact CG2-CG 4.46Å; P112-Y114 PolarHBondContact O-N 2.83Å; Y114-R390 WeakPolarHBondContact O-CD 3.3Å; Y114-I392 HydrophobicContact CD1-CD1 3.33Å; Y114-I392 HydrophobicContact CE1-CD1 3.73Å; Y114-I392 HydrophobicContact CE1-CG2 4.36Å; Y114-I392 HydrophobicContact CG-CD1 3.89Å; Y114-M396 HydrophobicContact CE1-CE 4.12Å; Y114-M396 WeakPolarHBondContact OH-CE 3.35Å |
| 115 | P | 92.8 | Very high | 90.8 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 16% | 0.156 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -74 | 168.9 | 178.2 | 32 | -35 | 0 | 0 | 0 | 111.1 | K113 I141 R390 E391 | K113-P115 WeakPolarHBondContact O-CD 3.48Å; P115-I141 HydrophobicContact CB-CG2 4.05Å; P115-I141 WeakPolarHBondContact CB-O 3.36Å; P115-R390 CarbonylContact O-C 3.49Å; P115-R390 VanDerWaalsContact O-CA 3.27Å; P115-R390 WeakPolarHBondContact O-CA 3.48Å; P115-R390 VanDerWaalsContact O-CD 3.25Å; P115-R390 WeakPolarHBondContact O-CD 3.21Å; P115-E391 HydrophobicContact CG-CB 4.19Å; P115-E391 PolarHBondContact O-N 3.44Å |
| 116 | K | 91.4 | Very high | 90.5 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 7% | 0.065 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 146.2 | 169.6 | -69.1 | -59.3 | -159.4 | 164.4 | 0 | 110.2 | R118 Y121 I141 T388 R390 | K116-R118 PolarHBondContact O-N 2.82Å; K116-Y121 HydrophobicContact CB-CD1 4.45Å; K116-Y121 HydrophobicContact CB-CD2 3.64Å; K116-Y121 HydrophobicContact CB-CE2 3.86Å; K116-Y121 HydrophobicContact CB-CG 3.94Å; K116-Y121 HydrophobicContact CD-CD2 4.33Å; K116-Y121 HydrophobicContact CD-CE1 4.14Å; K116-Y121 HydrophobicContact CD-CE2 3.69Å; K116-Y121 HydrophobicContact CG-CD2 4.34Å; K116-Y121 HydrophobicContact CG-CE1 4.42Å; K116-Y121 HydrophobicContact CG-CE2 4.18Å; K116-Y121 PolarHBondContact NZ-OH 2.9Å; K116-I141 HydrophobicContact CB-CG1 4.22Å; K116-T388 PolarHBondContact NZ-OG1 3.39Å; K116-R390 VanDerWaalsContact NZ-NH1 3.1Å |
| 117 | D | 89.6 | Confident | 90.3 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -68 | 132.1 | -177.2 | 78.7 | 98.2 | 0 | 0 | 0 | 112.2 | F119 L120 Y121 S389 T408 | D117-F119 PolarHBondContact O-N 3.39Å; D117-F119 PolarHBondContact OD1-N 3.22Å; D117-L120 WeakPolarHBondContact OD1-CB 3.49Å; D117-L120 PolarHBondContact OD1-N 3.31Å; D117-L120 WeakPolarHBondContact OD2-CB 3.34Å; D117-Y121 WeakPolarHBondContact O-CB 3.49Å; D117-Y121 VanDerWaalsContact O-CD2 3.29Å; D117-Y121 WeakPolarHBondContact O-CD2 3.36Å; D117-Y121 PolarHBondContact O-N 3.12Å; D117-Y121 WeakPolarHBondContact OD2-CD2 3.24Å; D117-Y121 WeakPolarHBondContact OD2-CE2 3.33Å; D117-S389 WeakPolarHBondContact OD2-CB 3.38Å; D117-S389 PolarHBondContact OD2-OG 3.39Å; D117-T408 HydrophobicContact CB-CG2 3.5Å |
| 118 | R | 89.4 | Confident | 90.2 | Very high | 130 Ų | 130 | 43.6 Ų | 43.6 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.3 | -26.9 | -176.7 | -70.7 | 168.5 | 86.3 | -166.3 | 5.5 | 113.1 | K116 K122 I141 E391 | K116-R118 PolarHBondContact O-N 2.82Å; R118-K122 WeakPolarHBondContact O-CB 3.13Å; R118-K122 WeakPolarHBondContact O-CG 3.36Å; R118-K122 PolarHBondContact O-N 3.48Å; R118-I141 HydrophobicContact CG-CD1 4.07Å; R118-I141 HydrophobicContact CG-CG2 4.25Å; R118-E391 WeakPolarHBondContact CB-OE2 3.34Å; R118-E391 VanDerWaalsContact CD-OE2 3.23Å; R118-E391 WeakPolarHBondContact CD-OE2 3.5Å; R118-E391 WeakPolarHBondContact CG-OE2 3.25Å; R118-E391 PolarHBondContact N-OE2 3.26Å; R118-E391 VanDerWaalsContact N-OE2 3.15Å |
| 119 | F | 86.1 | Confident | 89.9 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 4% | 0.044 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.4 | -51.6 | -174.5 | 177.8 | -92.6 | 0 | 0 | 0 | 112.6 | I91 Y94 D117 R123 | I91-F119 HydrophobicContact CB-CE1 4.4Å; I91-F119 HydrophobicContact CB-CZ 4.04Å; I91-F119 HydrophobicContact CD1-CE1 4.33Å; I91-F119 HydrophobicContact CG2-CE1 3.99Å; I91-F119 HydrophobicContact CG2-CE2 4.18Å; I91-F119 HydrophobicContact CG2-CZ 3.36Å; Y94-F119 HydrophobicContact CD1-CB 4.19Å; Y94-F119 AromaticContact CD1-CD2 3.82Å; Y94-F119 HydrophobicContact CD1-CD2 3.82Å; Y94-F119 HydrophobicContact CD1-CG 4.37Å; Y94-F119 AromaticContact CD2-CD2 3.18Å; Y94-F119 HydrophobicContact CD2-CD2 3.18Å; Y94-F119 AromaticContact CD2-CE2 3.28Å; Y94-F119 HydrophobicContact CD2-CE2 3.28Å; Y94-F119 HydrophobicContact CD2-CG 4.32Å; Y94-F119 HydrophobicContact CE1-CB 4.39Å; Y94-F119 AromaticContact CE1-CD2 3.99Å; Y94-F119 HydrophobicContact CE1-CD2 3.99Å; Y94-F119 AromaticContact CE2-CD2 3.36Å; Y94-F119 HydrophobicContact CE2-CD2 3.36Å; Y94-F119 AromaticContact CE2-CE2 3.59Å; Y94-F119 HydrophobicContact CE2-CE2 3.59Å; Y94-F119 HydrophobicContact CG-CB 4.47Å; Y94-F119 AromaticContact CG-CD2 3.41Å; Y94-F119 HydrophobicContact CG-CD2 3.41Å; Y94-F119 VanDerWaalsContact CG-CD2 3.41Å; Y94-F119 AromaticContact CG-CE2 3.88Å; Y94-F119 HydrophobicContact CG-CE2 3.88Å; Y94-F119 HydrophobicContact CG-CG 4.17Å; Y94-F119 AromaticContact CZ-CD2 3.77Å; D117-F119 PolarHBondContact O-N 3.39Å; D117-F119 PolarHBondContact OD1-N 3.22Å; F119-R123 VanDerWaalsContact CE2-CZ 3.4Å; F119-R123 VanDerWaalsContact CG-NH1 3.26Å; F119-R123 VanDerWaalsContact CZ-NH2 3.26Å; F119-R123 PolarHBondContact O-NH1 2.89Å |
| 120 | L | 86.7 | Confident | 89.8 | Confident | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.225 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.5 | -52.7 | -179.4 | 179.6 | 63.5 | 0 | 0 | 0 | 110.3 | D117 K122 R123 M124 V237 | D117-L120 WeakPolarHBondContact OD1-CB 3.49Å; D117-L120 PolarHBondContact OD1-N 3.31Å; D117-L120 WeakPolarHBondContact OD2-CB 3.34Å; L120-K122 PolarHBondContact O-N 3.43Å; L120-R123 WeakPolarHBondContact O-CB 3.49Å; L120-R123 PolarHBondContact O-N 3.29Å; L120-M124 HydrophobicContact CG-SD 4.3Å; L120-M124 PolarHBondContact O-N 3.48Å; L120-V237 HydrophobicContact CD1-CB 4.21Å; L120-V237 HydrophobicContact CD1-CG1 3.46Å; L120-V237 VanDerWaalsContact CD1-CG1 3.46Å; L120-V237 HydrophobicContact CD1-CG2 3.63Å |
| 121 | Y | 89.1 | Confident | 89.7 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.1 | -27.3 | -168.8 | -70.3 | -86.1 | 0 | 0 | 0 | 113.1 | K116 D117 R123 M124 F125 V138 T139 T388 | K116-Y121 HydrophobicContact CB-CD1 4.45Å; K116-Y121 HydrophobicContact CB-CD2 3.64Å; K116-Y121 HydrophobicContact CB-CE2 3.86Å; K116-Y121 HydrophobicContact CB-CG 3.94Å; K116-Y121 HydrophobicContact CD-CD2 4.33Å; K116-Y121 HydrophobicContact CD-CE1 4.14Å; K116-Y121 HydrophobicContact CD-CE2 3.69Å; K116-Y121 HydrophobicContact CG-CD2 4.34Å; K116-Y121 HydrophobicContact CG-CE1 4.42Å; K116-Y121 HydrophobicContact CG-CE2 4.18Å; K116-Y121 PolarHBondContact NZ-OH 2.9Å; D117-Y121 WeakPolarHBondContact O-CB 3.49Å; D117-Y121 VanDerWaalsContact O-CD2 3.29Å; D117-Y121 WeakPolarHBondContact O-CD2 3.36Å; D117-Y121 PolarHBondContact O-N 3.12Å; D117-Y121 WeakPolarHBondContact OD2-CD2 3.24Å; D117-Y121 WeakPolarHBondContact OD2-CE2 3.33Å; Y121-R123 VanDerWaalsContact C-N 3.31Å; Y121-R123 PolarHBondContact O-N 3.36Å; Y121-M124 HydrophobicContact CD1-SD 4.18Å; Y121-M124 HydrophobicContact CE1-SD 4.36Å; Y121-M124 PolarHBondContact O-N 3.47Å; Y121-F125 WeakPolarHBondContact O-CB 3.24Å; Y121-F125 PolarHBondContact O-N 3.4Å; Y121-V138 HydrophobicContact CD1-CG1 4.43Å; Y121-V138 WeakPolarHBondContact CD1-O 3.48Å; Y121-V138 HydrophobicContact CE1-CG1 4.03Å; Y121-V138 WeakPolarHBondContact CE1-O 3.34Å; Y121-T139 HydrophobicContact CD1-CG2 4.09Å; Y121-T139 WeakPolarHBondContact O-CG2 3.43Å; Y121-T388 PolarHBondContact OH-OG1 3.35Å |
| 122 | K | 88.4 | Confident | 89.7 | Confident | 111 Ų | 111 | 46.4 Ų | 46.4 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.1 | -28.9 | 169.7 | -74.8 | -173.1 | 168.2 | -167.9 | 0 | 113.4 | R118 L120 M124 F125 N126 I141 | R118-K122 WeakPolarHBondContact O-CB 3.13Å; R118-K122 WeakPolarHBondContact O-CG 3.36Å; R118-K122 PolarHBondContact O-N 3.48Å; L120-K122 PolarHBondContact O-N 3.43Å; K122-M124 VanDerWaalsContact C-N 3.34Å; K122-F125 WeakPolarHBondContact O-CB 3.49Å; K122-N126 PolarHBondContact O-N 3.2Å; K122-I141 HydrophobicContact CG-CD1 4.12Å |
| 123 | R | 88.3 | Confident | 89.8 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 17% | 0.174 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.6 | -26.8 | 174.3 | -72.2 | -178.3 | 170.7 | 85.2 | -5.2 | 112.3 | F119 L120 Y121 N126 Q236 V237 | F119-R123 VanDerWaalsContact CE2-CZ 3.4Å; F119-R123 VanDerWaalsContact CG-NH1 3.26Å; F119-R123 VanDerWaalsContact CZ-NH2 3.26Å; F119-R123 PolarHBondContact O-NH1 2.89Å; L120-R123 WeakPolarHBondContact O-CB 3.49Å; L120-R123 PolarHBondContact O-N 3.29Å; Y121-R123 VanDerWaalsContact C-N 3.31Å; Y121-R123 PolarHBondContact O-N 3.36Å; R123-N126 CarbonylContact O-C 3.59Å; R123-Q236 HydrophobicContact CB-CG 4.23Å; R123-Q236 VanDerWaalsContact CD-O 3.3Å; R123-Q236 WeakPolarHBondContact CD-O 3.3Å; R123-Q236 HydrophobicContact CG-CG 4.21Å; R123-Q236 PolarHBondContact NE-O 3.15Å; R123-Q236 PolarHBondContact O-NE2 2.87Å; R123-V237 HydrophobicContact CB-CG2 4.11Å |
| 124 | M | 86.6 | Confident | 89.8 | Confident | 31 Ų | 31 | 35.8 Ų | 35.8 | 15% | 0.153 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -77.8 | -34.8 | 171 | -60.6 | 177 | 67.2 | 0 | 0 | 111.4 | L120 Y121 K122 I133 V138 T139 I233 | L120-M124 HydrophobicContact CG-SD 4.3Å; L120-M124 PolarHBondContact O-N 3.48Å; Y121-M124 HydrophobicContact CD1-SD 4.18Å; Y121-M124 HydrophobicContact CE1-SD 4.36Å; Y121-M124 PolarHBondContact O-N 3.47Å; K122-M124 VanDerWaalsContact C-N 3.34Å; M124-I133 HydrophobicContact CB-CD1 3.99Å; M124-I133 HydrophobicContact CB-CG1 4.41Å; M124-I133 HydrophobicContact CE-CD1 4.06Å; M124-I133 WeakPolarHBondContact O-CG1 3.39Å; M124-V138 HydrophobicContact CE-CG1 4.06Å; M124-T139 HydrophobicContact CB-CG2 3.68Å; M124-I233 HydrophobicContact CG-CG2 4.07Å |
| 125 | F | 89.9 | Confident | 89.6 | Confident | 48 Ų | 48 | 36.5 Ų | 36.5 | 21% | 0.211 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.6 | -52.3 | 173.4 | 174.3 | -76.3 | 0 | 0 | 0 | 111.7 | Y121 K122 F132 G134 T135 | Y121-F125 WeakPolarHBondContact O-CB 3.24Å; Y121-F125 PolarHBondContact O-N 3.4Å; K122-F125 WeakPolarHBondContact O-CB 3.49Å; F125-F132 PolarHBondContact O-N 3.4Å; F125-G134 WeakPolarHBondContact CD2-O 3.39Å; F125-G134 PolarHBondContact O-N 2.95Å; F125-T135 WeakPolarHBondContact CE2-OG1 3.42Å |
| 126 | N | 90.4 | Very high | 89.3 | Confident | 62 Ų | 62 | 35.3 Ų | 35.3 | 33% | 0.332 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 115.2 | 178.3 | -80.1 | -28.3 | 0 | 0 | 0 | 110.9 | K122 R123 Q130 R131 Q236 | K122-N126 PolarHBondContact O-N 3.2Å; R123-N126 CarbonylContact O-C 3.59Å; N126-Q130 CarbonylContact C-O 3.44Å; N126-Q130 VanDerWaalsContact CA-O 3.26Å; N126-Q130 WeakPolarHBondContact CA-O 3.1Å; N126-R131 VanDerWaalsContact OD1-CA 3.3Å; N126-R131 WeakPolarHBondContact OD1-CA 3.42Å; N126-Q236 PolarHBondContact O-NE2 3.39Å |
| 127 | L | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 110.9 | 176.8 | -161.6 | 59 | 0 | 0 | 0 | 110 | G129 Q130 F132 C229 I233 Q236 V255 | L127-G129 PolarHBondContact O-N 3.32Å; L127-G129 VanDerWaalsContact O-N 3.13Å; L127-Q130 PolarHBondContact N-O 3.2Å; L127-Q130 PolarHBondContact O-N 2.99Å; L127-F132 HydrophobicContact CB-CB 3.78Å; L127-F132 HydrophobicContact CB-CD1 4.25Å; L127-F132 HydrophobicContact CB-CG 4.1Å; L127-F132 HydrophobicContact CD2-CD1 4.13Å; L127-F132 HydrophobicContact CD2-CE1 4.3Å; L127-F132 HydrophobicContact CD2-CG 4.28Å; L127-C229 HydrophobicContact CD2-CB 4.01Å; L127-C229 WeakPolarHBondContact CD2-O 3.3Å; L127-I233 HydrophobicContact CD1-CB 4.49Å; L127-I233 HydrophobicContact CD1-CG1 3.89Å; L127-I233 HydrophobicContact CD2-CG1 4.41Å; L127-Q236 VanDerWaalsContact CA-OE1 3.31Å; L127-Q236 HydrophobicContact CD1-CB 4.45Å; L127-V255 HydrophobicContact CD2-CG1 3.29Å; L127-V255 HydrophobicContact CG-CG1 3.59Å |
| 128 | F | 91.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 40.5 | -175 | -58 | -62.2 | 0 | 0 | 0 | 115.1 | Q236 F242 Q243 I252 V255 R256 | F128-Q236 HydrophobicContact CE1-CB 3.9Å; F128-Q236 HydrophobicContact CE1-CG 4.26Å; F128-Q236 HydrophobicContact CZ-CB 4.02Å; F128-F242 AromaticContact CE1-CD1 3.77Å; F128-F242 HydrophobicContact CE1-CD1 3.77Å; F128-F242 HydrophobicContact CE1-CE1 4.32Å; F128-F242 AromaticContact CZ-CD1 3.71Å; F128-F242 HydrophobicContact CZ-CD1 3.71Å; F128-F242 AromaticContact CZ-CE1 3.87Å; F128-F242 HydrophobicContact CZ-CE1 3.87Å; F128-Q243 HydrophobicContact CD1-CB 4.16Å; F128-Q243 HydrophobicContact CE1-CB 4.37Å; F128-I252 HydrophobicContact CB-CG2 3.61Å; F128-I252 HydrophobicContact CD1-CD1 4.34Å; F128-I252 HydrophobicContact CD1-CG1 4.08Å; F128-I252 HydrophobicContact CD1-CG2 4.36Å; F128-I252 HydrophobicContact CD2-CB 4.47Å; F128-I252 HydrophobicContact CD2-CG1 4.17Å; F128-I252 HydrophobicContact CD2-CG2 4.16Å; F128-I252 HydrophobicContact CE1-CD1 4.44Å; F128-I252 HydrophobicContact CE1-CG1 4.15Å; F128-I252 HydrophobicContact CE2-CG1 4.23Å; F128-I252 HydrophobicContact CG-CB 4.44Å; F128-I252 HydrophobicContact CG-CG1 4.1Å; F128-I252 HydrophobicContact CG-CG2 3.8Å; F128-I252 HydrophobicContact CZ-CG1 4.22Å; F128-V255 HydrophobicContact CD2-CB 4.03Å; F128-V255 HydrophobicContact CD2-CG1 3.74Å; F128-V255 HydrophobicContact CD2-CG2 4.46Å; F128-V255 HydrophobicContact CE2-CB 4.27Å; F128-V255 HydrophobicContact CE2-CG1 4.06Å; F128-V255 HydrophobicContact CE2-CG2 4.19Å; F128-R256 VanDerWaalsContact O-CZ 3.29Å; F128-R256 PolarHBondContact O-NE 3.37Å; F128-R256 PolarHBondContact O-NH2 3.36Å |
| 129 | G | 89.2 | Confident | 89.2 | Confident | 58 Ų | 58 | 31.4 Ų | 31.4 | 60% | 0.598 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 8.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L127 | L127-G129 PolarHBondContact O-N 3.32Å; L127-G129 VanDerWaalsContact O-N 3.13Å |
| 130 | Q | 90.8 | Very high | 89.4 | Confident | 57 Ų | 57 | 30.9 Ų | 30.9 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.2 | 165.3 | -61.7 | -68.1 | -84.9 | 0 | 0 | 109.2 | N126 L127 F132 R256 C259 | N126-Q130 CarbonylContact C-O 3.44Å; N126-Q130 VanDerWaalsContact CA-O 3.26Å; N126-Q130 WeakPolarHBondContact CA-O 3.1Å; L127-Q130 PolarHBondContact N-O 3.2Å; L127-Q130 PolarHBondContact O-N 2.99Å; Q130-F132 PolarHBondContact O-N 3.25Å; Q130-R256 HydrophobicContact CG-CB 3.72Å; Q130-R256 HydrophobicContact CG-CG 3.47Å; Q130-R256 VanDerWaalsContact CG-CG 3.47Å; Q130-C259 HydrophobicContact CB-CB 4.36Å |
| 131 | R | 92 | Very high | 89.5 | Confident | 75 Ų | 75 | 30.8 Ų | 30.8 | 28% | 0.283 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 126.7 | 169.7 | -168.4 | -178.4 | -175.4 | 113.7 | -8.1 | 108.4 | N126 R263 E307 D311 | N126-R131 VanDerWaalsContact OD1-CA 3.3Å; N126-R131 WeakPolarHBondContact OD1-CA 3.42Å; R131-R263 WeakPolarHBondContact O-CD 3.39Å; R131-E307 WeakPolarHBondContact CD-OE1 3.31Å; R131-E307 IonicContact CZ-OE1 3.47Å; R131-E307 IonicContact NE-OE1 2.72Å; R131-E307 PolarHBondContact NE-OE1 2.81Å; R131-E307 IonicContact NH2-OE1 3.95Å; R131-D311 IonicContact CZ-OD1 3.58Å; R131-D311 IonicContact CZ-OD2 3.14Å; R131-D311 IonicContact NE-OD1 2.67Å; R131-D311 PolarHBondContact NE-OD1 3.25Å; R131-D311 IonicContact NE-OD2 2.75Å; R131-D311 PolarHBondContact NE-OD2 3.29Å; R131-D311 IonicContact NH2-OD1 3.63Å; R131-D311 IonicContact NH2-OD2 2.78Å; R131-D311 PolarHBondContact NH2-OD2 2.99Å |
| 132 | F | 90.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -113.2 | -92.5 | -175.5 | 178 | -131.9 | 0 | 0 | 0 | 110.6 | F125 L127 Q130 G134 C229 I233 C259 L262 R263 V314 I318 | F125-F132 PolarHBondContact O-N 3.4Å; L127-F132 HydrophobicContact CB-CB 3.78Å; L127-F132 HydrophobicContact CB-CD1 4.25Å; L127-F132 HydrophobicContact CB-CG 4.1Å; L127-F132 HydrophobicContact CD2-CD1 4.13Å; L127-F132 HydrophobicContact CD2-CE1 4.3Å; L127-F132 HydrophobicContact CD2-CG 4.28Å; Q130-F132 PolarHBondContact O-N 3.25Å; F132-G134 VanDerWaalsContact C-N 3.33Å; F132-C229 HydrophobicContact CE1-CB 4.22Å; F132-C229 HydrophobicContact CE2-CB 3.66Å; F132-C229 VanDerWaalsContact CE2-SG 3.53Å; F132-C229 HydrophobicContact CZ-CB 3.38Å; F132-I233 HydrophobicContact CD1-CD1 4.42Å; F132-I233 HydrophobicContact CE1-CD1 3.69Å; F132-I233 HydrophobicContact CE1-CG1 4.28Å; F132-C259 HydrophobicContact CD2-CB 4.19Å; F132-C259 VanDerWaalsContact CD2-SG 3.54Å; F132-L262 HydrophobicContact CE2-CD1 3.98Å; F132-R263 PolarHBondContact O-NH1 3.33Å; F132-V314 HydrophobicContact CD2-CG1 4.03Å; F132-V314 HydrophobicContact CE2-CG1 3.72Å; F132-V314 HydrophobicContact CZ-CG1 4.33Å; F132-I318 HydrophobicContact CE1-CD1 4.43Å; F132-I318 HydrophobicContact CE1-CG1 4.1Å; F132-I318 HydrophobicContact CE1-CG2 4.27Å; F132-I318 HydrophobicContact CE2-CD1 4.13Å; F132-I318 HydrophobicContact CE2-CG1 4.1Å; F132-I318 HydrophobicContact CZ-CB 4.47Å; F132-I318 HydrophobicContact CZ-CD1 3.47Å; F132-I318 VanDerWaalsContact CZ-CD1 3.47Å; F132-I318 HydrophobicContact CZ-CG1 3.41Å; F132-I318 VanDerWaalsContact CZ-CG1 3.41Å; F132-I318 HydrophobicContact CZ-CG2 4.3Å |
| 133 | I | 90 | Very high | 89.5 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -90.2 | 1.7 | 172.1 | 57.8 | 169 | 0 | 0 | 0 | 113 | M124 T135 G136 V138 T139 D311 V314 I318 | M124-I133 HydrophobicContact CB-CD1 3.99Å; M124-I133 HydrophobicContact CB-CG1 4.41Å; M124-I133 HydrophobicContact CE-CD1 4.06Å; M124-I133 WeakPolarHBondContact O-CG1 3.39Å; I133-T135 PolarHBondContact O-N 3.36Å; I133-G136 PolarHBondContact O-N 3.37Å; I133-V138 HydrophobicContact CD1-CG1 4.44Å; I133-T139 HydrophobicContact CD1-CG2 3.43Å; I133-T139 VanDerWaalsContact CD1-CG2 3.43Å; I133-T139 HydrophobicContact CG1-CG2 3.85Å; I133-D311 WeakPolarHBondContact O-CB 3.17Å; I133-V314 HydrophobicContact CG2-CB 4.11Å; I133-V314 HydrophobicContact CG2-CG1 3.69Å; I133-I318 HydrophobicContact CG2-CB 4.38Å; I133-I318 HydrophobicContact CG2-CG1 4.19Å |
| 134 | G | 89.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45 | -135 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | F125 F132 G136 T139 D311 | F125-G134 WeakPolarHBondContact CD2-O 3.39Å; F125-G134 PolarHBondContact O-N 2.95Å; F132-G134 VanDerWaalsContact C-N 3.33Å; G134-G136 VanDerWaalsContact C-N 3.25Å; G134-G136 PolarHBondContact O-N 2.97Å; G134-T139 VanDerWaalsContact O-CB 3.31Å; G134-T139 WeakPolarHBondContact O-CB 3.4Å; G134-T139 PolarHBondContact O-OG1 2.9Å; G134-D311 WeakPolarHBondContact CA-OD1 3.25Å; G134-D311 WeakPolarHBondContact CA-OD2 3.24Å |
| 135 | T | 88.1 | Confident | 89.5 | Confident | 33 Ų | 33 | 36 Ų | 36 | 20% | 0.202 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 37.4 | 176.5 | -41.9 | 0 | 0 | 0 | 0 | 111.4 | F125 I133 A140 T145 Q149 F308 D311 | F125-T135 WeakPolarHBondContact CE2-OG1 3.42Å; I133-T135 PolarHBondContact O-N 3.36Å; T135-A140 HydrophobicContact CG2-CB 4.11Å; T135-T145 HydrophobicContact CG2-CG2 3.75Å; T135-Q149 PolarHBondContact O-NE2 3.26Å; T135-Q149 PolarHBondContact O-OE1 2.9Å; T135-Q149 VanDerWaalsContact O-OE1 3.12Å; T135-F308 HydrophobicContact CG2-CE1 3.97Å; T135-D311 PolarHBondContact N-OD2 3.41Å |
| 136 | G | 86.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -66.1 | 172.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I133 G134 V138 T139 A140 N312 | I133-G136 PolarHBondContact O-N 3.37Å; G134-G136 VanDerWaalsContact C-N 3.25Å; G134-G136 PolarHBondContact O-N 2.97Å; G136-V138 PolarHBondContact O-N 3.25Å; G136-T139 PolarHBondContact N-OG1 3.23Å; G136-T139 PolarHBondContact O-N 2.88Å; G136-T139 PolarHBondContact O-OG1 3.27Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 2.92Å; G136-N312 WeakPolarHBondContact CA-OD1 3.19Å |
| 137 | L | 88.2 | Confident | 89.6 | Confident | 16 Ų | 16 | 36.7 Ų | 36.7 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -33.2 | -175.7 | -99.2 | 85.6 | 0 | 0 | 0 | 114.4 | Q149 M153 N312 L456 | L137-Q149 HydrophobicContact CD1-CB 3.76Å; L137-Q149 HydrophobicContact CG-CB 4.47Å; L137-M153 HydrophobicContact CD1-CE 3.54Å; L137-M153 HydrophobicContact CD1-CG 4.27Å; L137-M153 HydrophobicContact CD1-SD 3.19Å; L137-M153 WeakPolarHBondContact CD1-SD 3.4Å; L137-M153 HydrophobicContact CG-SD 4.46Å; L137-N312 WeakPolarHBondContact CD1-OD1 3.42Å; L137-N312 PolarHBondContact N-OD1 3.44Å; L137-L456 HydrophobicContact CD2-CB 4.43Å; L137-L456 HydrophobicContact CD2-CD2 3.85Å |
| 138 | V | 88.6 | Confident | 89.4 | Confident | 44 Ų | 44 | 40.2 Ų | 40.2 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -37.3 | -178.5 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | Y121 M124 I133 G136 T315 A319 | Y121-V138 HydrophobicContact CD1-CG1 4.43Å; Y121-V138 WeakPolarHBondContact CD1-O 3.48Å; Y121-V138 HydrophobicContact CE1-CG1 4.03Å; Y121-V138 WeakPolarHBondContact CE1-O 3.34Å; M124-V138 HydrophobicContact CE-CG1 4.06Å; I133-V138 HydrophobicContact CD1-CG1 4.44Å; G136-V138 PolarHBondContact O-N 3.25Å; V138-T315 HydrophobicContact CB-CG2 4.02Å; V138-T315 HydrophobicContact CG2-CG2 3.47Å; V138-T315 VanDerWaalsContact CG2-CG2 3.47Å; V138-A319 HydrophobicContact CG2-CB 3.98Å |
| 139 | T | 90.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -10.2 | -170.4 | 39.5 | 0 | 0 | 0 | 0 | 114.5 | Y121 M124 I133 G134 G136 I141 | Y121-T139 HydrophobicContact CD1-CG2 4.09Å; Y121-T139 WeakPolarHBondContact O-CG2 3.43Å; M124-T139 HydrophobicContact CB-CG2 3.68Å; I133-T139 HydrophobicContact CD1-CG2 3.43Å; I133-T139 VanDerWaalsContact CD1-CG2 3.43Å; I133-T139 HydrophobicContact CG1-CG2 3.85Å; G134-T139 VanDerWaalsContact O-CB 3.31Å; G134-T139 WeakPolarHBondContact O-CB 3.4Å; G134-T139 PolarHBondContact O-OG1 2.9Å; G136-T139 PolarHBondContact N-OG1 3.23Å; G136-T139 PolarHBondContact O-N 2.88Å; G136-T139 PolarHBondContact O-OG1 3.27Å; T139-I141 PolarHBondContact O-N 3.12Å |
| 140 | A | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -60.1 | 105.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T135 G136 W146 R453 | T135-A140 HydrophobicContact CG2-CB 4.11Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 2.92Å; A140-W146 HydrophobicContact CB-CB 3.84Å; A140-R453 PolarHBondContact O-NH1 2.67Å; A140-R453 PolarHBondContact O-NH2 3.33Å | ||
| 141 | I | 89.6 | Confident | 89.2 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 21% | 0.21 | 19% | 0.193 | C | C | . | . | trans | -79.5 | -43.7 | -177.8 | -69.3 | 154.9 | 0 | 0 | 0 | 110.6 | P115 K116 R118 K122 T139 R453 | P115-I141 HydrophobicContact CB-CG2 4.05Å; P115-I141 WeakPolarHBondContact CB-O 3.36Å; K116-I141 HydrophobicContact CB-CG1 4.22Å; R118-I141 HydrophobicContact CG-CD1 4.07Å; R118-I141 HydrophobicContact CG-CG2 4.25Å; K122-I141 HydrophobicContact CG-CD1 4.12Å; T139-I141 PolarHBondContact O-N 3.12Å; I141-R453 PolarHBondContact O-NH2 2.87Å | ||
| 142 | D | 88.3 | Confident | 88.9 | Confident | 85 Ų | 85 | 39 Ų | 39 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -65.2 | 140.6 | 177.5 | 177.1 | 61.7 | 0 | 0 | 0 | 111.7 | E144 T145 W146 R453 | D142-E144 PolarHBondContact OD2-N 3.32Å; D142-T145 WeakPolarHBondContact OD2-CB 3.45Å; D142-T145 PolarHBondContact OD2-N 3.27Å; D142-T145 PolarHBondContact OD2-OG1 3.23Å; D142-W146 WeakPolarHBondContact O-CB 2.99Å; D142-W146 PolarHBondContact O-N 3.45Å; D142-R453 PolarHBondContact O-NH2 3.44Å |
| 143 | H | 88.3 | Confident | 88.8 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -73.4 | -45.5 | -175.8 | -176.7 | 77.6 | 0 | 0 | 0 | 111.8 | T145 W146 Y147 | H143-T145 PolarHBondContact O-N 3.09Å; H143-W146 AromaticContact CE1-CE3 3.88Å; H143-W146 AromaticContact CE1-CZ3 3.66Å; H143-W146 AromaticContact ND1-CE3 3.83Å; H143-W146 PolarHBondContact O-N 2.9Å; H143-Y147 WeakPolarHBondContact O-CB 3.3Å; H143-Y147 PolarHBondContact O-N 3.2Å |
| 144 | E | 88.3 | Confident | 88.8 | Confident | 127 Ų | 127 | 42.3 Ų | 42.3 | 59% | 0.593 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64 | -45.2 | -177.4 | -64.3 | -55.3 | 132.3 | 0 | 0 | 111.1 | D142 W146 Y147 K148 | D142-E144 PolarHBondContact OD2-N 3.32Å; E144-W146 PolarHBondContact O-N 2.75Å; E144-Y147 PolarHBondContact O-N 2.97Å; E144-K148 WeakPolarHBondContact O-CB 3.37Å; E144-K148 PolarHBondContact O-N 3.27Å |
| 145 | T | 87.5 | Confident | 88.8 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 26% | 0.258 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | T135 D142 H143 Q149 F308 | T135-T145 HydrophobicContact CG2-CG2 3.75Å; D142-T145 WeakPolarHBondContact OD2-CB 3.45Å; D142-T145 PolarHBondContact OD2-N 3.27Å; D142-T145 PolarHBondContact OD2-OG1 3.23Å; H143-T145 PolarHBondContact O-N 3.09Å; T145-Q149 WeakPolarHBondContact O-CG 3.34Å; T145-Q149 PolarHBondContact O-N 2.68Å; T145-Q149 PolarHBondContact O-NE2 2.94Å; T145-F308 HydrophobicContact CG2-CE1 4.3Å; T145-F308 HydrophobicContact CG2-CZ 4.04Å |
| 146 | W | 91.5 | Very high | 88.8 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 175.9 | 168.8 | 79.6 | 0 | 0 | 0 | 111.8 | A140 D142 H143 E144 Q149 R150 P452 R453 | A140-W146 HydrophobicContact CB-CB 3.84Å; D142-W146 WeakPolarHBondContact O-CB 2.99Å; D142-W146 PolarHBondContact O-N 3.45Å; H143-W146 AromaticContact CE1-CE3 3.88Å; H143-W146 AromaticContact CE1-CZ3 3.66Å; H143-W146 AromaticContact ND1-CE3 3.83Å; H143-W146 PolarHBondContact O-N 2.9Å; E144-W146 PolarHBondContact O-N 2.75Å; W146-Q149 PolarHBondContact O-N 2.99Å; W146-R150 HydrophobicContact CH2-CB 4.44Å; W146-R150 HydrophobicContact CH2-CG 4.16Å; W146-R150 HydrophobicContact CZ2-CB 4.11Å; W146-R150 HydrophobicContact CZ2-CG 3.83Å; W146-R150 VanDerWaalsContact O-CB 3.27Å; W146-R150 WeakPolarHBondContact O-CB 2.93Å; W146-R150 PolarHBondContact O-N 3.28Å; W146-P452 HydrophobicContact CH2-CB 3.79Å; W146-P452 WeakPolarHBondContact CH2-O 3.45Å; W146-P452 WeakPolarHBondContact CZ2-O 3.44Å; W146-P452 HydrophobicContact CZ3-CB 4.31Å; W146-R453 HydrophobicContact CD2-CG 4.18Å; W146-R453 HydrophobicContact CH2-CG 4.24Å; W146-R453 HydrophobicContact CZ2-CB 4.43Å; W146-R453 HydrophobicContact CZ2-CG 3.76Å |
| 147 | Y | 90.3 | Very high | 89 | Confident | 114 Ų | 114 | 43.8 Ų | 43.8 | 45% | 0.447 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.9 | -41.9 | -176.3 | -178 | -109.2 | 0 | 0 | 0 | 111.6 | H143 E144 Q149 R150 R151 | H143-Y147 WeakPolarHBondContact O-CB 3.3Å; H143-Y147 PolarHBondContact O-N 3.2Å; E144-Y147 PolarHBondContact O-N 2.97Å; Y147-Q149 PolarHBondContact O-N 2.9Å; Y147-R150 PolarHBondContact O-N 2.99Å; Y147-R151 WeakPolarHBondContact O-CB 3.37Å; Y147-R151 PolarHBondContact O-N 3.06Å |
| 148 | K | 87.7 | Confident | 89.1 | Confident | 73 Ų | 73 | 45.1 Ų | 45.1 | 32% | 0.317 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.3 | -52.9 | 172.2 | -175 | -170.5 | -177.5 | -167.3 | 0 | 110.9 | E144 R150 R151 I152 D305 | E144-K148 WeakPolarHBondContact O-CB 3.37Å; E144-K148 PolarHBondContact O-N 3.27Å; K148-R150 VanDerWaalsContact C-N 3.33Å; K148-R150 PolarHBondContact O-N 3.49Å; K148-R151 PolarHBondContact O-N 2.86Å; K148-I152 HydrophobicContact CG-CD1 4.32Å; K148-I152 WeakPolarHBondContact O-CG1 3.3Å; K148-I152 PolarHBondContact O-N 3.01Å; K148-D305 IonicContact NZ-OD1 2.64Å; K148-D305 PolarHBondContact NZ-OD1 2.92Å; K148-D305 IonicContact NZ-OD2 3.63Å |
| 149 | Q | 88.4 | Confident | 89.1 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 179.6 | -67.9 | 179.6 | 55.4 | 0 | 0 | 112 | T135 L137 T145 W146 Y147 R151 I152 M153 N312 | T135-Q149 PolarHBondContact O-NE2 3.26Å; T135-Q149 PolarHBondContact O-OE1 2.9Å; T135-Q149 VanDerWaalsContact O-OE1 3.12Å; L137-Q149 HydrophobicContact CD1-CB 3.76Å; L137-Q149 HydrophobicContact CG-CB 4.47Å; T145-Q149 WeakPolarHBondContact O-CG 3.34Å; T145-Q149 PolarHBondContact O-N 2.68Å; T145-Q149 PolarHBondContact O-NE2 2.94Å; W146-Q149 PolarHBondContact O-N 2.99Å; Y147-Q149 PolarHBondContact O-N 2.9Å; Q149-R151 PolarHBondContact O-N 3.34Å; Q149-I152 PolarHBondContact O-N 3.45Å; Q149-M153 HydrophobicContact CB-CE 4.48Å; Q149-M153 WeakPolarHBondContact O-CG 3.09Å; Q149-M153 PolarHBondContact O-N 2.56Å; Q149-M153 VanDerWaalsContact O-N 3.11Å; Q149-N312 PolarHBondContact OE1-ND2 2.84Å |
| 150 | R | 90.1 | Very high | 89.1 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 178.2 | -172.1 | 68.1 | -172.4 | -145.5 | 5.4 | 111.5 | W146 Y147 K148 I152 M153 D154 S454 | W146-R150 HydrophobicContact CH2-CB 4.44Å; W146-R150 HydrophobicContact CH2-CG 4.16Å; W146-R150 HydrophobicContact CZ2-CB 4.11Å; W146-R150 HydrophobicContact CZ2-CG 3.83Å; W146-R150 VanDerWaalsContact O-CB 3.27Å; W146-R150 WeakPolarHBondContact O-CB 2.93Å; W146-R150 PolarHBondContact O-N 3.28Å; Y147-R150 PolarHBondContact O-N 2.99Å; K148-R150 VanDerWaalsContact C-N 3.33Å; K148-R150 PolarHBondContact O-N 3.49Å; R150-I152 VanDerWaalsContact C-N 3.31Å; R150-I152 PolarHBondContact O-N 3.03Å; R150-M153 PolarHBondContact O-N 3.07Å; R150-D154 IonicContact CZ-OD1 3.57Å; R150-D154 IonicContact NE-OD1 3.75Å; R150-D154 PolarHBondContact NE-OD1 3.2Å; R150-D154 IonicContact NE-OD2 3.81Å; R150-D154 IonicContact NH2-OD1 2.59Å; R150-D154 PolarHBondContact NH2-OD1 3.25Å; R150-D154 WeakPolarHBondContact O-CB 3.4Å; R150-D154 PolarHBondContact O-N 3.35Å; R150-S454 PolarHBondContact NH1-O 3.37Å |
| 151 | R | 88.3 | Confident | 89 | Confident | 116 Ų | 116 | 53.9 Ų | 53.9 | 44% | 0.438 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 176.9 | -174.5 | 170.3 | 76.2 | -160.8 | 2.4 | 112.6 | Y147 K148 Q149 M153 P155 E298 | Y147-R151 WeakPolarHBondContact O-CB 3.37Å; Y147-R151 PolarHBondContact O-N 3.06Å; K148-R151 PolarHBondContact O-N 2.86Å; Q149-R151 PolarHBondContact O-N 3.34Å; R151-M153 VanDerWaalsContact C-N 3.33Å; R151-P155 VanDerWaalsContact O-CD 3.3Å; R151-P155 WeakPolarHBondContact O-CD 3.18Å; R151-E298 IonicContact CZ-OE1 3.2Å; R151-E298 IonicContact CZ-OE2 3.61Å; R151-E298 IonicContact NE-OE1 2.73Å; R151-E298 PolarHBondContact NE-OE1 3.45Å; R151-E298 IonicContact NH2-OE1 3.38Å; R151-E298 PolarHBondContact NH2-OE1 2.72Å; R151-E298 IonicContact NH2-OE2 3.19Å; R151-E298 PolarHBondContact NH2-OE2 2.65Å |
| 152 | I | 86.1 | Confident | 89 | Confident | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 178.2 | -67.3 | 166.9 | 0 | 0 | 0 | 111.3 | K148 Q149 R150 I291 A295 E298 | K148-I152 HydrophobicContact CG-CD1 4.32Å; K148-I152 WeakPolarHBondContact O-CG1 3.3Å; K148-I152 PolarHBondContact O-N 3.01Å; Q149-I152 PolarHBondContact O-N 3.45Å; R150-I152 VanDerWaalsContact C-N 3.31Å; R150-I152 PolarHBondContact O-N 3.03Å; I152-I291 HydrophobicContact CG2-CG2 4.06Å; I152-A295 HydrophobicContact CG2-CB 4.12Å; I152-E298 HydrophobicContact CG1-CG 4.34Å |
| 153 | M | 88.1 | Confident | 89.2 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -94.7 | -31 | -172.2 | -60.8 | -170.2 | -163 | 0 | 0 | 114.7 | L137 Q149 R150 R151 P155 A156 F157 I291 N312 F316 L456 | L137-M153 HydrophobicContact CD1-CE 3.54Å; L137-M153 HydrophobicContact CD1-CG 4.27Å; L137-M153 HydrophobicContact CD1-SD 3.19Å; L137-M153 WeakPolarHBondContact CD1-SD 3.4Å; L137-M153 HydrophobicContact CG-SD 4.46Å; Q149-M153 HydrophobicContact CB-CE 4.48Å; Q149-M153 WeakPolarHBondContact O-CG 3.09Å; Q149-M153 PolarHBondContact O-N 2.56Å; Q149-M153 VanDerWaalsContact O-N 3.11Å; R150-M153 PolarHBondContact O-N 3.07Å; R151-M153 VanDerWaalsContact C-N 3.33Å; M153-P155 VanDerWaalsContact C-N 3.32Å; M153-A156 PolarHBondContact O-N 2.86Å; M153-F157 WeakPolarHBondContact O-CD2 3.42Å; M153-I291 HydrophobicContact CG-CD1 4.06Å; M153-I291 HydrophobicContact CG-CG1 4.23Å; M153-I291 HydrophobicContact SD-CD1 4.38Å; M153-N312 HydrophobicContact CE-CB 3.43Å; M153-N312 VanDerWaalsContact CE-CB 3.43Å; M153-N312 WeakPolarHBondContact CE-ND2 3.48Å; M153-N312 HydrophobicContact SD-CB 4.07Å; M153-F316 HydrophobicContact SD-CE1 4.07Å; M153-F316 HydrophobicContact SD-CZ 3.58Å; M153-F316 VanDerWaalsContact SD-CZ 3.58Å; M153-L456 HydrophobicContact CB-CD2 3.78Å; M153-L456 HydrophobicContact SD-CD2 4.48Å |
| 154 | D | 89.5 | Confident | 89.3 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 35% | 0.353 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -49.3 | -42.7 | -177.9 | -87.8 | -18 | 0 | 0 | 0 | 114 | R150 A156 F157 S158 L456 | R150-D154 IonicContact CZ-OD1 3.57Å; R150-D154 IonicContact NE-OD1 3.75Å; R150-D154 PolarHBondContact NE-OD1 3.2Å; R150-D154 IonicContact NE-OD2 3.81Å; R150-D154 IonicContact NH2-OD1 2.59Å; R150-D154 PolarHBondContact NH2-OD1 3.25Å; R150-D154 WeakPolarHBondContact O-CB 3.4Å; R150-D154 PolarHBondContact O-N 3.35Å; D154-A156 VanDerWaalsContact C-N 3.27Å; D154-A156 PolarHBondContact O-N 3.24Å; D154-F157 CarbonylContact O-C 3.59Å; D154-F157 PolarHBondContact O-N 3.13Å; D154-F157 VanDerWaalsContact O-N 3.12Å; D154-S158 PolarHBondContact O-N 3.48Å; D154-L456 WeakPolarHBondContact OD1-CD1 3.48Å |
| 155 | P | 90.3 | Very high | 89.4 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -57.5 | -37.7 | 178.6 | -26.9 | 36.1 | 0 | 0 | 0 | 113.7 | R151 M153 F157 S158 T294 | R151-P155 VanDerWaalsContact O-CD 3.3Å; R151-P155 WeakPolarHBondContact O-CD 3.18Å; M153-P155 VanDerWaalsContact C-N 3.32Å; P155-F157 VanDerWaalsContact C-N 3.28Å; P155-F157 PolarHBondContact O-N 3.48Å; P155-S158 WeakPolarHBondContact O-CB 3.27Å; P155-S158 PolarHBondContact O-N 2.93Å; P155-S158 PolarHBondContact O-OG 3.35Å; P155-T294 HydrophobicContact CG-CG2 4.44Å |
| 156 | A | 88.7 | Confident | 89.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -75.1 | -16.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M153 D154 Y161 I287 Q290 I291 | M153-A156 PolarHBondContact O-N 2.86Å; D154-A156 VanDerWaalsContact C-N 3.27Å; D154-A156 PolarHBondContact O-N 3.24Å; A156-Y161 VanDerWaalsContact O-CD1 3.24Å; A156-Y161 WeakPolarHBondContact O-CD1 3.49Å; A156-I287 HydrophobicContact CB-CB 4.28Å; A156-I287 HydrophobicContact CB-CG2 3.62Å; A156-Q290 HydrophobicContact CB-CB 3.88Å; A156-Q290 HydrophobicContact CB-CG 3.78Å; A156-I291 HydrophobicContact CB-CG1 4.19Å |
| 157 | F | 90.3 | Very high | 89.6 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -109.9 | 8.7 | 175 | -68.5 | -93.2 | 0 | 0 | 0 | 112.8 | M153 D154 P155 L162 I287 F316 L456 | M153-F157 WeakPolarHBondContact O-CD2 3.42Å; D154-F157 CarbonylContact O-C 3.59Å; D154-F157 PolarHBondContact O-N 3.13Å; D154-F157 VanDerWaalsContact O-N 3.12Å; P155-F157 VanDerWaalsContact C-N 3.28Å; P155-F157 PolarHBondContact O-N 3.48Å; F157-L162 WeakPolarHBondContact O-CD1 3.18Å; F157-I287 HydrophobicContact CD1-CD1 4.46Å; F157-I287 HydrophobicContact CD2-CG2 4.33Å; F157-I287 HydrophobicContact CE1-CD1 3.92Å; F157-I287 HydrophobicContact CE2-CD1 4.46Å; F157-I287 HydrophobicContact CE2-CG2 3.61Å; F157-I287 HydrophobicContact CZ-CD1 3.93Å; F157-I287 HydrophobicContact CZ-CG2 3.89Å; F157-F316 HydrophobicContact CE2-CE1 4.16Å; F157-F316 HydrophobicContact CE2-CE2 4.36Å; F157-F316 AromaticContact CE2-CZ 3.79Å; F157-F316 HydrophobicContact CE2-CZ 3.79Å; F157-F316 HydrophobicContact CZ-CD1 4.43Å; F157-F316 AromaticContact CZ-CE1 3.98Å; F157-F316 HydrophobicContact CZ-CE1 3.98Å; F157-F316 HydrophobicContact CZ-CE2 4.27Å; F157-F316 AromaticContact CZ-CZ 3.89Å; F157-F316 HydrophobicContact CZ-CZ 3.89Å; F157-L456 HydrophobicContact CB-CD1 3.87Å; F157-L456 HydrophobicContact CB-CG 3.97Å; F157-L456 HydrophobicContact CD1-CG 4.2Å; F157-L456 HydrophobicContact CD2-CD1 4.01Å; F157-L456 HydrophobicContact CD2-CD2 3.47Å; F157-L456 VanDerWaalsContact CD2-CD2 3.47Å; F157-L456 HydrophobicContact CD2-CG 3.6Å; F157-L456 HydrophobicContact CE2-CD2 3.54Å; F157-L456 HydrophobicContact CE2-CG 4.08Å; F157-L456 HydrophobicContact CG-CD1 4.06Å; F157-L456 HydrophobicContact CG-CD2 4.06Å; F157-L456 HydrophobicContact CG-CG 3.66Å; F157-L456 HydrophobicContact CZ-CD2 4.18Å |
| 158 | S | 90.6 | Very high | 89.7 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -63.5 | 145.8 | 174.2 | 71.4 | 0 | 0 | 0 | 0 | 110.6 | D154 P155 L160 Y161 L162 | D154-S158 PolarHBondContact O-N 3.48Å; P155-S158 WeakPolarHBondContact O-CB 3.27Å; P155-S158 PolarHBondContact O-N 2.93Å; P155-S158 PolarHBondContact O-OG 3.35Å; S158-L160 PolarHBondContact O-N 3.24Å; S158-Y161 PolarHBondContact O-N 3.31Å; S158-Y161 VanDerWaalsContact O-N 3.08Å; S158-Y161 WeakPolarHBondContact OG-CB 3.12Å; S158-Y161 PolarHBondContact OG-N 3.49Å; S158-L162 WeakPolarHBondContact O-CG 3.35Å; S158-L162 PolarHBondContact O-N 3.43Å |
| 159 | T | 88.5 | Confident | 89.9 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.3 | -37.1 | 177.9 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | R163 Y362 N459 M463 | T159-R163 WeakPolarHBondContact O-CG 3.41Å; T159-R163 PolarHBondContact O-N 3.06Å; T159-Y362 HydrophobicContact CG2-CE1 4.48Å; T159-Y362 HydrophobicContact CG2-CE2 4.05Å; T159-Y362 VanDerWaalsContact CG2-OH 3.27Å; T159-Y362 WeakPolarHBondContact CG2-OH 3.01Å; T159-N459 PolarHBondContact OG1-ND2 3.35Å; T159-M463 HydrophobicContact CG2-CE 4.06Å |
| 160 | L | 89.1 | Confident | 90.2 | Very high | 142 Ų | 142 | 41.4 Ų | 41.4 | 74% | 0.743 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.1 | -44.7 | 178.3 | -177.6 | 64.9 | 0 | 0 | 0 | 111.8 | S158 | S158-L160 PolarHBondContact O-N 3.24Å |
| 161 | Y | 88.7 | Confident | 90.4 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.2 | -45.5 | 179 | -166.2 | -97.4 | 0 | 0 | 0 | 111.4 | A156 S158 R163 G164 L165 K285 D286 I287 Q290 | A156-Y161 VanDerWaalsContact O-CD1 3.24Å; A156-Y161 WeakPolarHBondContact O-CD1 3.49Å; S158-Y161 PolarHBondContact O-N 3.31Å; S158-Y161 VanDerWaalsContact O-N 3.08Å; S158-Y161 WeakPolarHBondContact OG-CB 3.12Å; S158-Y161 PolarHBondContact OG-N 3.49Å; Y161-R163 VanDerWaalsContact C-N 3.27Å; Y161-R163 PolarHBondContact O-N 3.16Å; Y161-G164 WeakPolarHBondContact O-CA 3.28Å; Y161-G164 PolarHBondContact O-N 2.96Å; Y161-L165 HydrophobicContact CD1-CD1 3.85Å; Y161-L165 HydrophobicContact CE1-CD1 3.74Å; Y161-L165 HydrophobicContact CE1-CG 4.42Å; Y161-K285 VanDerWaalsContact OH-C 3.26Å; Y161-K285 PolarHBondContact OH-O 2.87Å; Y161-D286 VanDerWaalsContact OH-C 3.25Å; Y161-D286 PolarHBondContact OH-N 3.22Å; Y161-D286 PolarHBondContact OH-O 2.96Å; Y161-I287 HydrophobicContact CE1-CG1 4.4Å; Y161-Q290 HydrophobicContact CD2-CG 4.43Å; Y161-Q290 HydrophobicContact CE1-CB 4.39Å; Y161-Q290 HydrophobicContact CE2-CB 4.13Å; Y161-Q290 HydrophobicContact CE2-CG 4.05Å |
| 162 | L | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -31.7 | 179.3 | -65.1 | 177.6 | 0 | 0 | 0 | 113 | F157 S158 G164 L165 N459 F460 M463 | F157-L162 WeakPolarHBondContact O-CD1 3.18Å; S158-L162 WeakPolarHBondContact O-CG 3.35Å; S158-L162 PolarHBondContact O-N 3.43Å; L162-G164 VanDerWaalsContact C-N 3.25Å; L162-G164 PolarHBondContact O-N 2.83Å; L162-L165 HydrophobicContact CD2-CD1 4.16Å; L162-L165 WeakPolarHBondContact O-CB 3.22Å; L162-L165 PolarHBondContact O-N 2.94Å; L162-N459 HydrophobicContact CD1-CB 3.8Å; L162-F460 HydrophobicContact CD1-CB 4.18Å; L162-F460 HydrophobicContact CD2-CB 4.48Å; L162-F460 HydrophobicContact CD2-CD2 3.84Å; L162-M463 HydrophobicContact CB-CE 3.75Å; L162-M463 HydrophobicContact CB-SD 3.66Å; L162-M463 HydrophobicContact CD1-CE 4.09Å; L162-M463 HydrophobicContact CD1-SD 4.24Å |
| 163 | R | 91.8 | Very high | 90.9 | Very high | 114 Ų | 114 | 37.7 Ų | 37.7 | 43% | 0.43 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.6 | -37.5 | 171.4 | -79.4 | 174 | -173.2 | -167.7 | 5.8 | 112.3 | T159 Y161 L165 M166 Y362 | T159-R163 WeakPolarHBondContact O-CG 3.41Å; T159-R163 PolarHBondContact O-N 3.06Å; Y161-R163 VanDerWaalsContact C-N 3.27Å; Y161-R163 PolarHBondContact O-N 3.16Å; R163-L165 PolarHBondContact O-N 3.24Å; R163-M166 WeakPolarHBondContact O-CB 3.45Å; R163-M166 VanDerWaalsContact O-CG 3.28Å; R163-M166 WeakPolarHBondContact O-CG 3.45Å; R163-M166 PolarHBondContact O-N 2.93Å; R163-Y362 HydrophobicContact CG-CD1 3.92Å; R163-Y362 HydrophobicContact CG-CD2 3.7Å; R163-Y362 HydrophobicContact CG-CE1 4.43Å; R163-Y362 HydrophobicContact CG-CE2 4.24Å; R163-Y362 HydrophobicContact CG-CG 3.51Å |
| 164 | G | 90.1 | Very high | 91.2 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 71% | 0.711 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.7 | -16.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y161 L162 | Y161-G164 WeakPolarHBondContact O-CA 3.28Å; Y161-G164 PolarHBondContact O-N 2.96Å; L162-G164 VanDerWaalsContact C-N 3.25Å; L162-G164 PolarHBondContact O-N 2.83Å |
| 165 | L | 90.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 5.3 | -179 | -55.9 | 171.4 | 0 | 0 | 0 | 112.7 | Y161 L162 R163 G167 T168 F169 V207 K285 I287 | Y161-L165 HydrophobicContact CD1-CD1 3.85Å; Y161-L165 HydrophobicContact CE1-CD1 3.74Å; Y161-L165 HydrophobicContact CE1-CG 4.42Å; L162-L165 HydrophobicContact CD2-CD1 4.16Å; L162-L165 WeakPolarHBondContact O-CB 3.22Å; L162-L165 PolarHBondContact O-N 2.94Å; R163-L165 PolarHBondContact O-N 3.24Å; L165-G167 PolarHBondContact O-N 3.47Å; L165-T168 WeakPolarHBondContact O-CB 3.39Å; L165-T168 PolarHBondContact O-N 2.99Å; L165-F169 HydrophobicContact CB-CE2 4.25Å; L165-F169 WeakPolarHBondContact O-CD2 3.46Å; L165-F169 PolarHBondContact O-N 3.35Å; L165-F169 VanDerWaalsContact O-N 3.14Å; L165-V207 HydrophobicContact CB-CG1 4.06Å; L165-V207 HydrophobicContact CD1-CG1 3.35Å; L165-V207 HydrophobicContact CG-CG1 4.15Å; L165-K285 WeakPolarHBondContact CD2-O 3.2Å; L165-I287 HydrophobicContact CD1-CG1 4.4Å |
| 166 | M | 92.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 7% | 0.069 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.1 | -34.8 | 179 | -77.2 | -57.8 | -53.3 | 0 | 0 | 113.1 | R163 T168 F169 N170 I360 L365 V467 | R163-M166 WeakPolarHBondContact O-CB 3.45Å; R163-M166 VanDerWaalsContact O-CG 3.28Å; R163-M166 WeakPolarHBondContact O-CG 3.45Å; R163-M166 PolarHBondContact O-N 2.93Å; M166-T168 VanDerWaalsContact C-N 3.32Å; M166-T168 PolarHBondContact O-N 3.35Å; M166-F169 PolarHBondContact O-N 3.08Å; M166-F169 HydrophobicContact SD-CD2 4.25Å; M166-N170 PolarHBondContact O-N 3.4Å; M166-N170 PolarHBondContact O-ND2 2.88Å; M166-I360 WeakPolarHBondContact CE-O 3.31Å; M166-L365 HydrophobicContact CE-CD1 3.85Å; M166-L365 HydrophobicContact CE-CG 4.4Å; M166-L365 HydrophobicContact SD-CD1 4.05Å; M166-V467 HydrophobicContact CE-CG2 3.76Å |
| 167 | G | 92.1 | Very high | 91.9 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 43% | 0.433 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L165 N170 E171 | L165-G167 PolarHBondContact O-N 3.47Å; G167-N170 PolarHBondContact O-N 2.79Å; G167-E171 WeakPolarHBondContact O-CB 3.46Å; G167-E171 PolarHBondContact O-N 3.36Å |
| 168 | T | 90.8 | Very high | 92 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.1 | -38.8 | 178.7 | -50 | 0 | 0 | 0 | 0 | 112.6 | L165 M166 N170 E171 R172 K206 V207 | L165-T168 WeakPolarHBondContact O-CB 3.39Å; L165-T168 PolarHBondContact O-N 2.99Å; M166-T168 VanDerWaalsContact C-N 3.32Å; M166-T168 PolarHBondContact O-N 3.35Å; T168-N170 VanDerWaalsContact C-N 3.33Å; T168-N170 PolarHBondContact O-N 3.11Å; T168-E171 PolarHBondContact O-N 3.22Å; T168-R172 HydrophobicContact CG2-CG 4.37Å; T168-R172 WeakPolarHBondContact O-CB 3.36Å; T168-R172 VanDerWaalsContact O-CG 3.27Å; T168-R172 WeakPolarHBondContact O-CG 3.27Å; T168-R172 PolarHBondContact O-N 3.34Å; T168-K206 HydrophobicContact CG2-CB 4.05Å; T168-K206 HydrophobicContact CG2-CG 3.41Å; T168-K206 VanDerWaalsContact CG2-CG 3.41Å; T168-V207 HydrophobicContact CG2-CG2 3.51Å |
| 169 | F | 92.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 173 | -74.6 | -67.6 | 0 | 0 | 0 | 111.5 | L165 M166 A173 V203 V207 F460 E464 V467 | L165-F169 HydrophobicContact CB-CE2 4.25Å; L165-F169 WeakPolarHBondContact O-CD2 3.46Å; L165-F169 PolarHBondContact O-N 3.35Å; L165-F169 VanDerWaalsContact O-N 3.14Å; M166-F169 PolarHBondContact O-N 3.08Å; M166-F169 HydrophobicContact SD-CD2 4.25Å; F169-A173 VanDerWaalsContact O-CB 3.25Å; F169-A173 WeakPolarHBondContact O-CB 3.37Å; F169-A173 PolarHBondContact O-N 2.73Å; F169-V203 HydrophobicContact CD1-CG1 3.66Å; F169-V203 HydrophobicContact CE1-CG1 3.57Å; F169-V207 HydrophobicContact CE1-CG2 4.42Å; F169-V207 HydrophobicContact CZ-CG1 4.47Å; F169-V207 HydrophobicContact CZ-CG2 4.49Å; F169-F460 HydrophobicContact CE1-CD1 4.29Å; F169-F460 HydrophobicContact CE1-CD2 4.36Å; F169-F460 AromaticContact CE1-CE1 3.87Å; F169-F460 HydrophobicContact CE1-CE1 3.87Å; F169-F460 HydrophobicContact CE1-CE2 4Å; F169-F460 HydrophobicContact CE1-CG 4.5Å; F169-F460 AromaticContact CE1-CZ 3.73Å; F169-F460 HydrophobicContact CE1-CZ 3.73Å; F169-F460 HydrophobicContact CZ-CD1 4.33Å; F169-F460 AromaticContact CZ-CD2 3.73Å; F169-F460 HydrophobicContact CZ-CD2 3.73Å; F169-F460 HydrophobicContact CZ-CE1 4.2Å; F169-F460 AromaticContact CZ-CE2 3.64Å; F169-F460 HydrophobicContact CZ-CE2 3.64Å; F169-F460 HydrophobicContact CZ-CG 4.08Å; F169-F460 AromaticContact CZ-CZ 3.88Å; F169-F460 HydrophobicContact CZ-CZ 3.88Å; F169-E464 HydrophobicContact CD1-CB 4.09Å; F169-E464 HydrophobicContact CD1-CG 4.48Å; F169-E464 HydrophobicContact CE1-CB 3.84Å; F169-E464 HydrophobicContact CE1-CG 4.44Å; F169-V467 HydrophobicContact CB-CG1 4.49Å; F169-V467 HydrophobicContact CB-CG2 4.41Å |
| 170 | N | 94.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -48.6 | 177.6 | -80.6 | -78.3 | 0 | 0 | 0 | 111.8 | M166 G167 T168 R172 A173 E174 I360 K471 | M166-N170 PolarHBondContact O-N 3.4Å; M166-N170 PolarHBondContact O-ND2 2.88Å; G167-N170 PolarHBondContact O-N 2.79Å; T168-N170 VanDerWaalsContact C-N 3.33Å; T168-N170 PolarHBondContact O-N 3.11Å; N170-R172 VanDerWaalsContact C-N 3.32Å; N170-R172 PolarHBondContact O-N 3.14Å; N170-A173 PolarHBondContact O-N 3.14Å; N170-E174 WeakPolarHBondContact O-CB 3.31Å; N170-E174 PolarHBondContact O-N 3.22Å; N170-I360 PolarHBondContact ND2-O 3.18Å; N170-I360 PolarHBondContact OD1-N 3Å; N170-K471 WeakPolarHBondContact OD1-CE 3.41Å |
| 171 | E | 93.6 | Very high | 92.6 | Very high | 82 Ų | 82 | 33.8 Ų | 33.8 | 38% | 0.383 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -52.8 | -48.9 | 178 | -178.1 | -158 | 138.4 | 0 | 0 | 111.4 | G167 T168 E174 K175 | G167-E171 WeakPolarHBondContact O-CB 3.46Å; G167-E171 PolarHBondContact O-N 3.36Å; T168-E171 PolarHBondContact O-N 3.22Å; E171-E174 WeakPolarHBondContact O-CB 3.4Å; E171-E174 PolarHBondContact O-N 2.91Å; E171-K175 PolarHBondContact O-N 3.42Å |
| 172 | R | 91.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.4 | -37.8 | -176.8 | -64.3 | -70.5 | 147 | 173.3 | -1.8 | 112.5 | T168 N170 E174 K175 V203 D212 | T168-R172 HydrophobicContact CG2-CG 4.37Å; T168-R172 WeakPolarHBondContact O-CB 3.36Å; T168-R172 VanDerWaalsContact O-CG 3.27Å; T168-R172 WeakPolarHBondContact O-CG 3.27Å; T168-R172 PolarHBondContact O-N 3.34Å; N170-R172 VanDerWaalsContact C-N 3.32Å; N170-R172 PolarHBondContact O-N 3.14Å; R172-E174 VanDerWaalsContact C-N 3.26Å; R172-E174 PolarHBondContact O-N 3.36Å; R172-K175 PolarHBondContact O-N 3.26Å; R172-V203 HydrophobicContact CB-CG2 3.43Å; R172-V203 VanDerWaalsContact CB-CG2 3.43Å; R172-V203 HydrophobicContact CG-CG2 4.08Å; R172-D212 IonicContact CZ-OD1 2.93Å; R172-D212 IonicContact CZ-OD2 3.56Å; R172-D212 IonicContact NH1-OD1 3.49Å; R172-D212 PolarHBondContact NH1-OD1 3.34Å; R172-D212 IonicContact NH1-OD2 3.39Å; R172-D212 PolarHBondContact NH1-OD2 3.16Å; R172-D212 VanDerWaalsContact NH1-OD2 3.16Å; R172-D212 IonicContact NH2-OD1 2.77Å; R172-D212 IonicContact NH2-OD2 3.24Å; R172-D212 PolarHBondContact NH2-OD2 2.7Å |
| 173 | A | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -32.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F169 N170 L176 M177 V467 V468 K471 | F169-A173 VanDerWaalsContact O-CB 3.25Å; F169-A173 WeakPolarHBondContact O-CB 3.37Å; F169-A173 PolarHBondContact O-N 2.73Å; N170-A173 PolarHBondContact O-N 3.14Å; A173-L176 WeakPolarHBondContact O-CB 3.22Å; A173-L176 PolarHBondContact O-N 2.84Å; A173-M177 WeakPolarHBondContact O-CG 3.47Å; A173-M177 PolarHBondContact O-N 3.4Å; A173-M177 VanDerWaalsContact O-N 3.12Å; A173-V467 HydrophobicContact CB-CG1 3.8Å; A173-V468 HydrophobicContact CB-CG2 4.08Å; A173-K471 HydrophobicContact CB-CD 3.62Å |
| 174 | E | 94.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.1 | -161.3 | 69.6 | -178 | 0 | 0 | 111.5 | N170 E171 R172 L176 M177 D178 Q358 K471 R475 | N170-E174 WeakPolarHBondContact O-CB 3.31Å; N170-E174 PolarHBondContact O-N 3.22Å; E171-E174 WeakPolarHBondContact O-CB 3.4Å; E171-E174 PolarHBondContact O-N 2.91Å; R172-E174 VanDerWaalsContact C-N 3.26Å; R172-E174 PolarHBondContact O-N 3.36Å; E174-L176 PolarHBondContact O-N 3.1Å; E174-L176 VanDerWaalsContact O-N 3.15Å; E174-M177 CarbonylContact O-C 3.36Å; E174-M177 WeakPolarHBondContact O-CA 3.48Å; E174-M177 WeakPolarHBondContact O-CB 3.27Å; E174-M177 PolarHBondContact O-N 2.86Å; E174-D178 PolarHBondContact O-N 3.13Å; E174-Q358 PolarHBondContact OE1-NE2 3.06Å; E174-K471 IonicContact OE2-NZ 2.96Å; E174-K471 PolarHBondContact OE2-NZ 3.33Å; E174-R475 VanDerWaalsContact CD-NH1 3.32Å; E174-R475 VanDerWaalsContact CD-NH2 3.26Å; E174-R475 IonicContact OE1-CZ 3.32Å; E174-R475 IonicContact OE1-NH1 3.76Å; E174-R475 PolarHBondContact OE1-NH1 3.31Å; E174-R475 IonicContact OE1-NH2 3.55Å; E174-R475 PolarHBondContact OE1-NH2 3.48Å; E174-R475 IonicContact OE2-CZ 3.81Å; E174-R475 IonicContact OE2-NH1 3.83Å; E174-R475 PolarHBondContact OE2-NH1 2.9Å; E174-R475 IonicContact OE2-NH2 2.7Å; E174-R475 PolarHBondContact OE2-NH2 2.89Å |
| 175 | K | 93.3 | Very high | 92.5 | Very high | 52 Ų | 52 | 35.5 Ų | 35.5 | 23% | 0.226 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.8 | -35.9 | 174.3 | -69.2 | -172 | 171.3 | -167.3 | 0 | 112.8 | E171 R172 K179 D212 D214 L216 | E171-K175 PolarHBondContact O-N 3.42Å; R172-K175 PolarHBondContact O-N 3.26Å; K175-K179 WeakPolarHBondContact O-CB 3.39Å; K175-K179 PolarHBondContact O-N 3.47Å; K175-K179 VanDerWaalsContact O-N 3.14Å; K175-D212 IonicContact NZ-OD1 3.31Å; K175-D212 IonicContact NZ-OD2 2.97Å; K175-D212 PolarHBondContact NZ-OD2 3.29Å; K175-D214 IonicContact NZ-OD1 3.41Å; K175-D214 PolarHBondContact NZ-OD1 3.31Å; K175-L216 HydrophobicContact CB-CD1 4.09Å; K175-L216 WeakPolarHBondContact O-CD1 3.44Å |
| 176 | L | 94.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.7 | -45 | 172.8 | -177.7 | 51.2 | 0 | 0 | 0 | 111.4 | A173 E174 D178 K179 L180 L195 V196 V199 V468 | A173-L176 WeakPolarHBondContact O-CB 3.22Å; A173-L176 PolarHBondContact O-N 2.84Å; E174-L176 PolarHBondContact O-N 3.1Å; E174-L176 VanDerWaalsContact O-N 3.15Å; L176-D178 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.19Å; L176-K179 PolarHBondContact O-N 2.9Å; L176-L180 HydrophobicContact CD1-CD1 4.1Å; L176-L180 HydrophobicContact CD1-CG 4.12Å; L176-L180 HydrophobicContact CG-CD1 3.98Å; L176-L180 HydrophobicContact CG-CG 4.44Å; L176-L180 WeakPolarHBondContact O-CB 3.25Å; L176-L180 VanDerWaalsContact O-CG 3.29Å; L176-L180 WeakPolarHBondContact O-CG 3.49Å; L176-L180 PolarHBondContact O-N 3.08Å; L176-L195 HydrophobicContact CD1-CB 3.71Å; L176-V196 HydrophobicContact CD2-CG2 4.21Å; L176-V199 HydrophobicContact CB-CB 4.42Å; L176-V199 HydrophobicContact CB-CG1 4.25Å; L176-V199 HydrophobicContact CB-CG2 3.58Å; L176-V199 HydrophobicContact CD1-CG2 3.98Å; L176-V199 HydrophobicContact CD2-CB 4.36Å; L176-V199 HydrophobicContact CD2-CG1 4.39Å; L176-V199 HydrophobicContact CD2-CG2 4.12Å; L176-V199 HydrophobicContact CG-CG2 4.06Å; L176-V468 HydrophobicContact CD2-CG1 3.94Å |
| 177 | M | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 179.4 | -62.1 | -55.2 | 105.7 | 0 | 0 | 111.4 | A173 E174 L180 S181 K471 L472 F476 | A173-M177 WeakPolarHBondContact O-CG 3.47Å; A173-M177 PolarHBondContact O-N 3.4Å; A173-M177 VanDerWaalsContact O-N 3.12Å; E174-M177 CarbonylContact O-C 3.36Å; E174-M177 WeakPolarHBondContact O-CA 3.48Å; E174-M177 WeakPolarHBondContact O-CB 3.27Å; E174-M177 PolarHBondContact O-N 2.86Å; M177-L180 HydrophobicContact CE-CD1 3.95Å; M177-L180 CarbonylContact O-C 3.56Å; M177-L180 PolarHBondContact O-N 3.28Å; M177-S181 WeakPolarHBondContact O-CB 3.44Å; M177-S181 PolarHBondContact O-N 2.94Å; M177-K471 HydrophobicContact CE-CB 4.29Å; M177-K471 HydrophobicContact CG-CB 3.85Å; M177-K471 HydrophobicContact CG-CD 4.45Å; M177-K471 HydrophobicContact SD-CB 3.75Å; M177-L472 HydrophobicContact CE-CB 4.23Å; M177-L472 HydrophobicContact SD-CB 4.5Å; M177-F476 HydrophobicContact CB-CE2 4.21Å; M177-F476 WeakPolarHBondContact O-CZ 3.37Å; M177-F476 HydrophobicContact SD-CD2 4.05Å; M177-F476 HydrophobicContact SD-CE2 3.71Å |
| 178 | D | 94 | Very high | 91.5 | Very high | 82 Ų | 82 | 44.4 Ų | 44.4 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 175.8 | -63.2 | -21.4 | 0 | 0 | 0 | 110.3 | E174 L176 L180 S181 D182 | E174-D178 PolarHBondContact O-N 3.13Å; L176-D178 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.19Å; D178-L180 VanDerWaalsContact C-N 3.29Å; D178-L180 PolarHBondContact O-N 3.12Å; D178-S181 WeakPolarHBondContact O-CA 3.28Å; D178-S181 VanDerWaalsContact O-CB 3.25Å; D178-S181 WeakPolarHBondContact O-CB 3.5Å; D178-S181 PolarHBondContact O-N 3.17Å; D178-S181 VanDerWaalsContact O-N 3.07Å; D178-D182 PolarHBondContact O-N 3.43Å |
| 179 | K | 92.9 | Very high | 91.5 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 34% | 0.335 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 177.2 | -172.4 | 57.7 | 173.9 | -178.2 | 0 | 113 | K175 L176 L183 L195 L216 | K175-K179 WeakPolarHBondContact O-CB 3.39Å; K175-K179 PolarHBondContact O-N 3.47Å; K175-K179 VanDerWaalsContact O-N 3.14Å; L176-K179 PolarHBondContact O-N 2.9Å; K179-L183 WeakPolarHBondContact O-CG 3.44Å; K179-L183 PolarHBondContact O-N 3.41Å; K179-L195 HydrophobicContact CG-CD2 4.04Å; K179-L216 HydrophobicContact CB-CD1 4.35Å |
| 180 | L | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.9 | -33.7 | 174.9 | -71.3 | 171.7 | 0 | 0 | 0 | 111.6 | L176 M177 D178 D182 L183 A184 A190 M192 L195 L472 F476 I504 | L176-L180 HydrophobicContact CD1-CD1 4.1Å; L176-L180 HydrophobicContact CD1-CG 4.12Å; L176-L180 HydrophobicContact CG-CD1 3.98Å; L176-L180 HydrophobicContact CG-CG 4.44Å; L176-L180 WeakPolarHBondContact O-CB 3.25Å; L176-L180 VanDerWaalsContact O-CG 3.29Å; L176-L180 WeakPolarHBondContact O-CG 3.49Å; L176-L180 PolarHBondContact O-N 3.08Å; M177-L180 HydrophobicContact CE-CD1 3.95Å; M177-L180 CarbonylContact O-C 3.56Å; M177-L180 PolarHBondContact O-N 3.28Å; D178-L180 VanDerWaalsContact C-N 3.29Å; D178-L180 PolarHBondContact O-N 3.12Å; L180-D182 VanDerWaalsContact C-N 3.33Å; L180-L183 CarbonylContact O-C 3.55Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L183 VanDerWaalsContact O-N 3.15Å; L180-A184 WeakPolarHBondContact O-CB 3.38Å; L180-A184 PolarHBondContact O-N 3.06Å; L180-A190 HydrophobicContact CD2-CB 4.26Å; L180-M192 HydrophobicContact CD1-CE 4.09Å; L180-M192 HydrophobicContact CD2-CE 4.1Å; L180-M192 HydrophobicContact CD2-SD 3.68Å; L180-L195 HydrophobicContact CD2-CD1 3.74Å; L180-L472 HydrophobicContact CD1-CD1 3.64Å; L180-F476 HydrophobicContact CB-CD2 4.38Å; L180-F476 HydrophobicContact CB-CE1 4.28Å; L180-F476 HydrophobicContact CB-CE2 3.86Å; L180-F476 HydrophobicContact CB-CZ 3.8Å; L180-F476 HydrophobicContact CD1-CD2 4.47Å; L180-F476 HydrophobicContact CD1-CE2 4.43Å; L180-I504 HydrophobicContact CD2-CG1 4.2Å |
| 181 | S | 93.5 | Very high | 91.5 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 173.6 | -162.8 | 0 | 0 | 0 | 0 | 111.4 | M177 D178 L183 A184 H506 | M177-S181 WeakPolarHBondContact O-CB 3.44Å; M177-S181 PolarHBondContact O-N 2.94Å; D178-S181 WeakPolarHBondContact O-CA 3.28Å; D178-S181 VanDerWaalsContact O-CB 3.25Å; D178-S181 WeakPolarHBondContact O-CB 3.5Å; D178-S181 PolarHBondContact O-N 3.17Å; D178-S181 VanDerWaalsContact O-N 3.07Å; S181-L183 PolarHBondContact O-N 3.32Å; S181-A184 PolarHBondContact O-N 3.25Å; S181-H506 PolarHBondContact OG-CE1 3.46Å; S181-H506 PolarHBondContact OG-NE2 3.23Å; S181-H506 VanDerWaalsContact OG-NE2 3.11Å |
| 182 | D | 91.4 | Very high | 91.6 | Very high | 120 Ų | 120 | 44.4 Ų | 44.4 | 64% | 0.642 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.2 | -30.6 | 175.2 | -66.1 | -23 | 0 | 0 | 0 | 112.7 | D178 L180 | D178-D182 PolarHBondContact O-N 3.43Å; L180-D182 VanDerWaalsContact C-N 3.33Å |
| 183 | L | 90.7 | Very high | 91.6 | Very high | 33 Ų | 33 | 45.1 Ų | 45.1 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -90.5 | -20.6 | 179.6 | -65 | 174 | 0 | 0 | 0 | 112.5 | K179 L180 S181 S186 T188 A190 L195 | K179-L183 WeakPolarHBondContact O-CG 3.44Å; K179-L183 PolarHBondContact O-N 3.41Å; L180-L183 CarbonylContact O-C 3.55Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L183 VanDerWaalsContact O-N 3.15Å; S181-L183 PolarHBondContact O-N 3.32Å; L183-S186 VanDerWaalsContact O-CB 3.3Å; L183-S186 WeakPolarHBondContact O-CB 3.43Å; L183-S186 PolarHBondContact O-N 3.27Å; L183-S186 PolarHBondContact O-OG 2.93Å; L183-T188 HydrophobicContact CD2-CG2 4.13Å; L183-A190 HydrophobicContact CD1-CB 4Å; L183-L195 HydrophobicContact CD1-CD1 4.28Å |
| 184 | A | 90.4 | Very high | 91.5 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 143.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L180 S181 S186 F476 I504 | L180-A184 WeakPolarHBondContact O-CB 3.38Å; L180-A184 PolarHBondContact O-N 3.06Å; S181-A184 PolarHBondContact O-N 3.25Å; A184-S186 PolarHBondContact O-N 3.01Å; A184-F476 HydrophobicContact CB-CD1 4.13Å; A184-F476 HydrophobicContact CB-CE1 3.85Å; A184-I504 WeakPolarHBondContact CA-O 3.42Å; A184-I504 HydrophobicContact CB-CG2 4.02Å |
| 185 | D | 87.4 | Confident | 91.4 | Very high | 103 Ų | 103 | 50.8 Ų | 50.8 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | -2.3 | -177.7 | -53.2 | -36.3 | 0 | 0 | 0 | 115 | I504 K505 H506 | D185-I504 PolarHBondContact N-O 3.02Å; D185-K505 VanDerWaalsContact OD1-CA 3.31Å; D185-K505 WeakPolarHBondContact OD1-CA 3.45Å; D185-K505 WeakPolarHBondContact OD1-CB 3.5Å; D185-H506 PolarHBondContact OD1-N 3.15Å; D185-H506 IonicContact OD2-CD2 2.73Å; D185-H506 PolarHBondContact OD2-CD2 3.32Å; D185-H506 VanDerWaalsContact OD2-CD2 3.31Å; D185-H506 IonicContact OD2-CG 2.63Å |
| 186 | S | 85.8 | Confident | 91.4 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -78.3 | 161 | 169.3 | 88.5 | 0 | 0 | 0 | 0 | 110.6 | L183 A184 T188 | L183-S186 VanDerWaalsContact O-CB 3.3Å; L183-S186 WeakPolarHBondContact O-CB 3.43Å; L183-S186 PolarHBondContact O-N 3.27Å; L183-S186 PolarHBondContact O-OG 2.93Å; A184-S186 PolarHBondContact O-N 3.01Å; S186-T188 PolarHBondContact O-N 3.37Å; S186-T188 WeakPolarHBondContact OG-CB 3.41Å; S186-T188 PolarHBondContact OG-N 2.99Å; S186-T188 PolarHBondContact OG-OG1 3.26Å |
| 187 | S | 79.8 | Confident | 91.2 | Very high | 129 Ų | 129 | 49.7 Ų | 49.7 | 90% | 0.902 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -78.2 | 4.4 | 170.2 | -58.9 | 0 | 0 | 0 | 0 | 113 | P189 | S187-P189 WeakPolarHBondContact O-CD 3.24Š|
| 188 | T | 87.9 | Confident | 91 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 120.8 | -174.9 | -49.8 | 0 | 0 | 0 | 0 | 110.5 | L183 S186 | L183-T188 HydrophobicContact CD2-CG2 4.13Å; S186-T188 PolarHBondContact O-N 3.37Å; S186-T188 WeakPolarHBondContact OG-CB 3.41Å; S186-T188 PolarHBondContact OG-N 2.99Å; S186-T188 PolarHBondContact OG-OG1 3.26Å |
| 189 | P | 91.3 | Very high | 90.8 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 137.1 | 172.6 | -27.9 | 39.1 | 0 | 0 | 0 | 113.4 | S187 I481 I501 | S187-P189 WeakPolarHBondContact O-CD 3.24Å; P189-I481 HydrophobicContact CB-CD1 3.42Å; P189-I481 VanDerWaalsContact CB-CD1 3.42Å; P189-I481 HydrophobicContact CG-CD1 3.42Å; P189-I481 VanDerWaalsContact CG-CD1 3.42Å; P189-I501 HydrophobicContact CB-CG2 3.56Å |
| 190 | A | 93 | Very high | 90.7 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L180 L183 M192 L195 I501 C502 I504 | L180-A190 HydrophobicContact CD2-CB 4.26Å; L183-A190 HydrophobicContact CD1-CB 4Å; A190-M192 HydrophobicContact CB-SD 3.98Å; A190-M192 PolarHBondContact O-N 3.2Å; A190-M192 VanDerWaalsContact O-N 3.13Å; A190-L195 HydrophobicContact CB-CD1 4.2Å; A190-I501 CarbonylContact O-C 3.46Å; A190-I501 WeakPolarHBondContact O-CA 3.43Å; A190-C502 PolarHBondContact N-O 2.92Å; A190-C502 PolarHBondContact O-N 3.46Å; A190-I504 HydrophobicContact CB-CD1 4.41Å; A190-I504 HydrophobicContact CB-CG1 3.69Å |
| 191 | N | 94.1 | Very high | 90.5 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 31% | 0.305 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 86.8 | 169.2 | -175 | -11.6 | 0 | 0 | 0 | 109.7 | L193 Q194 L195 V500 | N191-L193 VanDerWaalsContact C-N 3.31Å; N191-L193 PolarHBondContact O-N 3.19Å; N191-L193 PolarHBondContact OD1-N 3.18Å; N191-Q194 HydrophobicContact CB-CB 4.12Å; N191-Q194 PolarHBondContact ND2-OE1 3.24Å; N191-Q194 PolarHBondContact O-N 3.06Å; N191-Q194 PolarHBondContact OD1-N 2.59Å; N191-L195 WeakPolarHBondContact O-CG 3.34Å; N191-L195 PolarHBondContact O-N 3.1Å; N191-V500 CarbonylContact C-O 3.51Å |
| 192 | M | 94.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -38.6 | -176.3 | -61.2 | -56.8 | -70.4 | 0 | 0 | 112.5 | L180 A190 Q194 L195 V196 I333 L472 V500 C502 I504 | L180-M192 HydrophobicContact CD1-CE 4.09Å; L180-M192 HydrophobicContact CD2-CE 4.1Å; L180-M192 HydrophobicContact CD2-SD 3.68Å; A190-M192 HydrophobicContact CB-SD 3.98Å; A190-M192 PolarHBondContact O-N 3.2Å; A190-M192 VanDerWaalsContact O-N 3.13Å; M192-Q194 PolarHBondContact O-N 3.21Å; M192-L195 PolarHBondContact O-N 3.27Å; M192-L195 HydrophobicContact SD-CD1 4.44Å; M192-V196 WeakPolarHBondContact O-CB 3.34Å; M192-V196 WeakPolarHBondContact O-CG2 3.5Å; M192-V196 PolarHBondContact O-N 3.12Å; M192-I333 HydrophobicContact CB-CD1 4.22Å; M192-I333 HydrophobicContact CE-CD1 3.83Å; M192-I333 HydrophobicContact CG-CG2 4.41Å; M192-L472 HydrophobicContact CE-CD1 3.92Å; M192-L472 HydrophobicContact CE-CD2 4.05Å; M192-V500 HydrophobicContact CB-CB 4.18Å; M192-V500 HydrophobicContact CB-CG1 3.94Å; M192-V500 WeakPolarHBondContact CB-O 3.44Å; M192-V500 HydrophobicContact CG-CG1 4.4Å; M192-V500 PolarHBondContact N-O 2.9Å; M192-C502 HydrophobicContact CG-CB 3.88Å; M192-I504 HydrophobicContact SD-CD1 3.9Å |
| 193 | L | 92.3 | Very high | 90.3 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 177.1 | 175 | 60.7 | 0 | 0 | 0 | 111 | N191 N197 N327 A330 V500 | N191-L193 VanDerWaalsContact C-N 3.31Å; N191-L193 PolarHBondContact O-N 3.19Å; N191-L193 PolarHBondContact OD1-N 3.18Å; L193-N197 VanDerWaalsContact O-CB 3.27Å; L193-N197 WeakPolarHBondContact O-CB 3Å; L193-N197 PolarHBondContact O-N 3.46Å; L193-N197 PolarHBondContact O-ND2 3.24Å; L193-N327 WeakPolarHBondContact CD1-OD1 3.44Å; L193-A330 HydrophobicContact CB-CB 4.24Å; L193-A330 HydrophobicContact CD1-CB 3.6Å; L193-A330 HydrophobicContact CG-CB 4.49Å; L193-V500 HydrophobicContact CB-CB 4.36Å; L193-V500 HydrophobicContact CB-CG2 4.48Å |
| 194 | Q | 91 | Very high | 90.2 | Very high | 119 Ų | 119 | 34.1 Ų | 34.1 | 56% | 0.556 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -64.7 | -45.5 | 178.5 | -178.1 | -179.4 | -9.6 | 0 | 0 | 111.9 | N191 M192 N197 S198 | N191-Q194 HydrophobicContact CB-CB 4.12Å; N191-Q194 PolarHBondContact ND2-OE1 3.24Å; N191-Q194 PolarHBondContact O-N 3.06Å; N191-Q194 PolarHBondContact OD1-N 2.59Å; M192-Q194 PolarHBondContact O-N 3.21Å; Q194-N197 PolarHBondContact O-N 3.03Å; Q194-S198 PolarHBondContact O-N 3.37Å; Q194-S198 PolarHBondContact O-OG 2.78Å |
| 195 | L | 92.9 | Very high | 90.2 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | -178.7 | -69.5 | 171.9 | 0 | 0 | 0 | 112 | L176 K179 L180 L183 A190 N191 M192 S198 V199 L216 | L176-L195 HydrophobicContact CD1-CB 3.71Å; K179-L195 HydrophobicContact CG-CD2 4.04Å; L180-L195 HydrophobicContact CD2-CD1 3.74Å; L183-L195 HydrophobicContact CD1-CD1 4.28Å; A190-L195 HydrophobicContact CB-CD1 4.2Å; N191-L195 WeakPolarHBondContact O-CG 3.34Å; N191-L195 PolarHBondContact O-N 3.1Å; M192-L195 PolarHBondContact O-N 3.27Å; M192-L195 HydrophobicContact SD-CD1 4.44Å; L195-S198 PolarHBondContact O-N 3.1Å; L195-V199 WeakPolarHBondContact O-CG2 3.44Å; L195-V199 PolarHBondContact O-N 3.36Å; L195-V199 VanDerWaalsContact O-N 3.08Å; L195-L216 HydrophobicContact CD2-CD2 3.85Å |
| 196 | V | 92.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.6 | -37.3 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | L176 M192 S198 V199 T200 A326 L329 I333 | L176-V196 HydrophobicContact CD2-CG2 4.21Å; M192-V196 WeakPolarHBondContact O-CB 3.34Å; M192-V196 WeakPolarHBondContact O-CG2 3.5Å; M192-V196 PolarHBondContact O-N 3.12Å; V196-S198 VanDerWaalsContact C-N 3.34Å; V196-S198 PolarHBondContact O-N 2.72Å; V196-V199 PolarHBondContact O-N 3.37Å; V196-T200 HydrophobicContact CG1-CG2 4.01Å; V196-T200 WeakPolarHBondContact O-CB 3.36Å; V196-T200 VanDerWaalsContact O-CG2 3.3Å; V196-T200 WeakPolarHBondContact O-CG2 3.39Å; V196-T200 PolarHBondContact O-N 3.21Å; V196-T200 PolarHBondContact O-OG1 3.14Å; V196-A326 HydrophobicContact CG1-CB 3.94Å; V196-L329 HydrophobicContact CG1-CB 3.72Å; V196-L329 HydrophobicContact CG1-CD1 3.46Å; V196-L329 VanDerWaalsContact CG1-CD1 3.46Å; V196-L329 HydrophobicContact CG1-CG 4.23Å; V196-I333 HydrophobicContact CG2-CD1 4.33Å |
| 197 | N | 90.1 | Very high | 90.3 | Very high | 30 Ų | 30 | 29.4 Ų | 29.4 | 16% | 0.16 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 172.4 | -77.6 | -17.3 | 0 | 0 | 0 | 111.5 | L193 Q194 T200 L201 Q322 A326 | L193-N197 VanDerWaalsContact O-CB 3.27Å; L193-N197 WeakPolarHBondContact O-CB 3Å; L193-N197 PolarHBondContact O-N 3.46Å; L193-N197 PolarHBondContact O-ND2 3.24Å; Q194-N197 PolarHBondContact O-N 3.03Å; N197-T200 PolarHBondContact O-OG1 3.09Å; N197-T200 VanDerWaalsContact O-OG1 3.08Å; N197-L201 WeakPolarHBondContact O-CB 3.19Å; N197-L201 PolarHBondContact O-N 3.44Å; N197-L201 VanDerWaalsContact O-N 3.16Å; N197-Q322 PolarHBondContact OD1-O 3.22Å; N197-A326 HydrophobicContact CB-CB 4.46Å; N197-A326 WeakPolarHBondContact OD1-CB 3.39Å |
| 198 | S | 90.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 14% | 0.14 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 177.2 | -70.3 | 0 | 0 | 0 | 0 | 111.6 | Q194 L195 V196 L201 D202 | Q194-S198 PolarHBondContact O-N 3.37Å; Q194-S198 PolarHBondContact O-OG 2.78Å; L195-S198 PolarHBondContact O-N 3.1Å; V196-S198 VanDerWaalsContact C-N 3.34Å; V196-S198 PolarHBondContact O-N 2.72Å; S198-L201 PolarHBondContact O-N 3.48Å; S198-D202 PolarHBondContact O-N 3Å |
| 199 | V | 91.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.7 | -42.7 | -175.2 | 169.6 | 0 | 0 | 0 | 0 | 112.2 | L176 L195 V196 L201 D202 V203 L216 | L176-V199 HydrophobicContact CB-CB 4.42Å; L176-V199 HydrophobicContact CB-CG1 4.25Å; L176-V199 HydrophobicContact CB-CG2 3.58Å; L176-V199 HydrophobicContact CD1-CG2 3.98Å; L176-V199 HydrophobicContact CD2-CB 4.36Å; L176-V199 HydrophobicContact CD2-CG1 4.39Å; L176-V199 HydrophobicContact CD2-CG2 4.12Å; L176-V199 HydrophobicContact CG-CG2 4.06Å; L195-V199 WeakPolarHBondContact O-CG2 3.44Å; L195-V199 PolarHBondContact O-N 3.36Å; L195-V199 VanDerWaalsContact O-N 3.08Å; V196-V199 PolarHBondContact O-N 3.37Å; V199-L201 VanDerWaalsContact C-N 3.28Å; V199-L201 PolarHBondContact O-N 2.78Å; V199-D202 CarbonylContact O-C 3.5Å; V199-D202 PolarHBondContact O-N 2.97Å; V199-V203 HydrophobicContact CG1-CG2 4.24Å; V199-V203 WeakPolarHBondContact O-CB 3.26Å; V199-V203 WeakPolarHBondContact O-CG2 3.48Å; V199-V203 PolarHBondContact O-N 3.19Å; V199-L216 HydrophobicContact CG2-CD1 3.66Å; V199-L216 HydrophobicContact CG2-CD2 4.04Å; V199-L216 HydrophobicContact CG2-CG 4.04Å |
| 200 | T | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.9 | -33 | 177 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | V196 N197 I204 Q322 T325 A326 L329 E464 | V196-T200 HydrophobicContact CG1-CG2 4.01Å; V196-T200 WeakPolarHBondContact O-CB 3.36Å; V196-T200 VanDerWaalsContact O-CG2 3.3Å; V196-T200 WeakPolarHBondContact O-CG2 3.39Å; V196-T200 PolarHBondContact O-N 3.21Å; V196-T200 PolarHBondContact O-OG1 3.14Å; N197-T200 PolarHBondContact O-OG1 3.09Å; N197-T200 VanDerWaalsContact O-OG1 3.08Å; T200-I204 PolarHBondContact O-N 3.48Å; T200-I204 VanDerWaalsContact O-N 3.09Å; T200-Q322 WeakPolarHBondContact OG1-CA 3.44Å; T200-T325 HydrophobicContact CG2-CG2 4.45Å; T200-A326 HydrophobicContact CG2-CB 3.98Å; T200-A326 WeakPolarHBondContact OG1-CB 3.36Å; T200-L329 HydrophobicContact CG2-CD1 4.22Å; T200-E464 WeakPolarHBondContact CA-OE1 3.24Å |
| 201 | L | 89.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.5 | -42.4 | 170.8 | -178.8 | 55.2 | 0 | 0 | 0 | 111.8 | N197 S198 V199 V203 I204 A205 L213 L215 F222 P223 I226 F317 Q322 | N197-L201 WeakPolarHBondContact O-CB 3.19Å; N197-L201 PolarHBondContact O-N 3.44Å; N197-L201 VanDerWaalsContact O-N 3.16Å; S198-L201 PolarHBondContact O-N 3.48Å; V199-L201 VanDerWaalsContact C-N 3.28Å; V199-L201 PolarHBondContact O-N 2.78Å; L201-V203 VanDerWaalsContact C-N 3.32Å; L201-V203 PolarHBondContact O-N 3.13Å; L201-I204 HydrophobicContact CD1-CG2 4Å; L201-I204 VanDerWaalsContact O-CG2 3.27Å; L201-I204 WeakPolarHBondContact O-CG2 3.21Å; L201-I204 PolarHBondContact O-N 3.16Å; L201-A205 VanDerWaalsContact O-CB 3.28Å; L201-A205 WeakPolarHBondContact O-CB 3.32Å; L201-A205 PolarHBondContact O-N 3.46Å; L201-L213 HydrophobicContact CD2-CD1 4.42Å; L201-L213 HydrophobicContact CG-CD1 4.13Å; L201-L215 HydrophobicContact CB-CD1 3.71Å; L201-L215 HydrophobicContact CD2-CD1 3.26Å; L201-L215 HydrophobicContact CG-CD1 3.49Å; L201-L215 VanDerWaalsContact CG-CD1 3.49Å; L201-F222 HydrophobicContact CD1-CD1 4.22Å; L201-F222 HydrophobicContact CD1-CE1 4.18Å; L201-F222 HydrophobicContact CD2-CD1 4.1Å; L201-P223 HydrophobicContact CD2-CB 4.05Å; L201-P223 HydrophobicContact CD2-CG 3.66Å; L201-I226 HydrophobicContact CD1-CD1 4.17Å; L201-I226 HydrophobicContact CD2-CD1 4.45Å; L201-F317 HydrophobicContact CD1-CD1 3.47Å; L201-F317 VanDerWaalsContact CD1-CD1 3.47Å; L201-F317 HydrophobicContact CD1-CE1 3.67Å; L201-Q322 HydrophobicContact CB-CB 4.03Å; L201-Q322 HydrophobicContact CB-CG 3.95Å; L201-Q322 HydrophobicContact CD1-CB 4.43Å; L201-Q322 VanDerWaalsContact CD2-OE1 3.23Å |
| 202 | D | 89.9 | Confident | 89.2 | Confident | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | 174.5 | -78.2 | -16.7 | 0 | 0 | 0 | 112 | S198 V199 A205 K206 L213 D214 L215 | S198-D202 PolarHBondContact O-N 3Å; V199-D202 CarbonylContact O-C 3.5Å; V199-D202 PolarHBondContact O-N 2.97Å; D202-A205 PolarHBondContact O-N 3.21Å; D202-K206 WeakPolarHBondContact O-CB 3.42Å; D202-K206 PolarHBondContact O-N 2.72Å; D202-L213 WeakPolarHBondContact OD1-CB 3.48Å; D202-D214 PolarHBondContact OD1-N 2.72Å; D202-L215 WeakPolarHBondContact OD1-CD1 3.32Å; D202-L215 VanDerWaalsContact OD1-CG 3.23Å; D202-L215 WeakPolarHBondContact OD1-CG 3.27Å; D202-L215 PolarHBondContact OD1-N 3.42Å; D202-L215 PolarHBondContact OD2-N 3.2Å |
| 203 | V | 90.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.3 | -52.5 | 175.8 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | F169 R172 V199 L201 A205 K206 V207 F460 E464 | F169-V203 HydrophobicContact CD1-CG1 3.66Å; F169-V203 HydrophobicContact CE1-CG1 3.57Å; R172-V203 HydrophobicContact CB-CG2 3.43Å; R172-V203 VanDerWaalsContact CB-CG2 3.43Å; R172-V203 HydrophobicContact CG-CG2 4.08Å; V199-V203 HydrophobicContact CG1-CG2 4.24Å; V199-V203 WeakPolarHBondContact O-CB 3.26Å; V199-V203 WeakPolarHBondContact O-CG2 3.48Å; V199-V203 PolarHBondContact O-N 3.19Å; L201-V203 VanDerWaalsContact C-N 3.32Å; L201-V203 PolarHBondContact O-N 3.13Å; V203-A205 PolarHBondContact O-N 2.99Å; V203-K206 PolarHBondContact O-N 3.21Å; V203-V207 HydrophobicContact CG1-CG2 4.06Å; V203-V207 VanDerWaalsContact O-CB 3.25Å; V203-V207 WeakPolarHBondContact O-CB 3.39Å; V203-V207 WeakPolarHBondContact O-CG2 3.32Å; V203-V207 PolarHBondContact O-N 3.36Å; V203-F460 HydrophobicContact CG1-CE1 4.06Å; V203-F460 HydrophobicContact CG1-CZ 3.8Å; V203-E464 VanDerWaalsContact CB-OE1 3.32Å; V203-E464 WeakPolarHBondContact CB-OE1 3.42Å; V203-E464 HydrophobicContact CG1-CG 4.22Å; V203-E464 VanDerWaalsContact CG1-OE1 3.25Å; V203-E464 WeakPolarHBondContact CG1-OE1 3.11Å |
| 204 | I | 88.9 | Confident | 88 | Confident | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.4 | -38.1 | 179.3 | -168.4 | 67.5 | 0 | 0 | 0 | 111.5 | T200 L201 K206 A208 F317 F460 | T200-I204 PolarHBondContact O-N 3.48Å; T200-I204 VanDerWaalsContact O-N 3.09Å; L201-I204 HydrophobicContact CD1-CG2 4Å; L201-I204 VanDerWaalsContact O-CG2 3.27Å; L201-I204 WeakPolarHBondContact O-CG2 3.21Å; L201-I204 PolarHBondContact O-N 3.16Å; I204-K206 VanDerWaalsContact C-N 3.35Å; I204-K206 PolarHBondContact O-N 3.41Å; I204-A208 HydrophobicContact CD1-CB 3.85Å; I204-A208 HydrophobicContact CG1-CB 4.19Å; I204-A208 WeakPolarHBondContact O-CA 3.13Å; I204-A208 WeakPolarHBondContact O-CB 3.29Å; I204-A208 PolarHBondContact O-N 3.46Å; I204-F317 HydrophobicContact CG2-CD1 3.96Å; I204-F317 HydrophobicContact CG2-CE1 3.87Å; I204-F460 HydrophobicContact CB-CZ 4.49Å; I204-F460 HydrophobicContact CD1-CE1 4.12Å; I204-F460 HydrophobicContact CD1-CE2 4.05Å; I204-F460 HydrophobicContact CD1-CZ 3.68Å |
| 205 | A | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L201 D202 V203 F209 G210 V211 L213 F317 | L201-A205 VanDerWaalsContact O-CB 3.28Å; L201-A205 WeakPolarHBondContact O-CB 3.32Å; L201-A205 PolarHBondContact O-N 3.46Å; D202-A205 PolarHBondContact O-N 3.21Å; V203-A205 PolarHBondContact O-N 2.99Å; A205-F209 CarbonylContact O-C 3.57Å; A205-F209 WeakPolarHBondContact O-CA 3.21Å; A205-F209 WeakPolarHBondContact O-CB 3.46Å; A205-F209 PolarHBondContact O-N 3.17Å; A205-G210 PolarHBondContact O-N 2.9Å; A205-V211 CarbonylContact C-O 3.54Å; A205-V211 VanDerWaalsContact C-O 3.28Å; A205-V211 PolarHBondContact O-N 3.08Å; A205-V211 VanDerWaalsContact O-N 3.13Å; A205-L213 HydrophobicContact CB-CD1 3.66Å; A205-L213 HydrophobicContact CB-CG 3.9Å; A205-F317 HydrophobicContact CB-CE1 4.33Å |
| 206 | K | 89.6 | Confident | 86.8 | Confident | 60 Ų | 60 | 17.7 Ų | 17.7 | 26% | 0.261 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -75.4 | -50.3 | -178.8 | -171.8 | 67.5 | 174.6 | -176.9 | 0 | 112.4 | T168 D202 V203 I204 G210 V211 | T168-K206 HydrophobicContact CG2-CB 4.05Å; T168-K206 HydrophobicContact CG2-CG 3.41Å; T168-K206 VanDerWaalsContact CG2-CG 3.41Å; D202-K206 WeakPolarHBondContact O-CB 3.42Å; D202-K206 PolarHBondContact O-N 2.72Å; V203-K206 PolarHBondContact O-N 3.21Å; I204-K206 VanDerWaalsContact C-N 3.35Å; I204-K206 PolarHBondContact O-N 3.41Å; K206-G210 WeakPolarHBondContact O-CA 3.37Å; K206-G210 PolarHBondContact O-N 3.01Å; K206-V211 VanDerWaalsContact CA-O 3.31Å; K206-V211 WeakPolarHBondContact CA-O 3.3Å; K206-V211 PolarHBondContact N-O 2.94Å |
| 207 | V | 87.1 | Confident | 85.8 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.1 | -38.7 | -176.3 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | L165 T168 F169 V203 D286 I287 F460 | L165-V207 HydrophobicContact CB-CG1 4.06Å; L165-V207 HydrophobicContact CD1-CG1 3.35Å; L165-V207 HydrophobicContact CG-CG1 4.15Å; T168-V207 HydrophobicContact CG2-CG2 3.51Å; F169-V207 HydrophobicContact CE1-CG2 4.42Å; F169-V207 HydrophobicContact CZ-CG1 4.47Å; F169-V207 HydrophobicContact CZ-CG2 4.49Å; V203-V207 HydrophobicContact CG1-CG2 4.06Å; V203-V207 VanDerWaalsContact O-CB 3.25Å; V203-V207 WeakPolarHBondContact O-CB 3.39Å; V203-V207 WeakPolarHBondContact O-CG2 3.32Å; V203-V207 PolarHBondContact O-N 3.36Å; V207-D286 WeakPolarHBondContact O-CB 3.25Å; V207-I287 HydrophobicContact CG1-CD1 4.25Å; V207-I287 PolarHBondContact O-N 2.87Å; V207-F460 HydrophobicContact CB-CE2 3.89Å; V207-F460 HydrophobicContact CB-CZ 4.15Å; V207-F460 HydrophobicContact CG1-CD2 4.46Å; V207-F460 HydrophobicContact CG1-CE2 3.55Å; V207-F460 HydrophobicContact CG1-CZ 4.29Å; V207-F460 HydrophobicContact CG2-CE2 4.49Å |
| 208 | A | 84.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -85.3 | -35.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I204 I287 L288 | I204-A208 HydrophobicContact CD1-CB 3.85Å; I204-A208 HydrophobicContact CG1-CB 4.19Å; I204-A208 WeakPolarHBondContact O-CA 3.13Å; I204-A208 WeakPolarHBondContact O-CB 3.29Å; I204-A208 PolarHBondContact O-N 3.46Å; A208-I287 HydrophobicContact CB-CB 4.18Å; A208-I287 HydrophobicContact CB-CD1 4.05Å; A208-I287 HydrophobicContact CB-CG1 4.46Å; A208-L288 VanDerWaalsContact O-CB 3.22Å; A208-L288 WeakPolarHBondContact O-CB 3.4Å; A208-L288 PolarHBondContact O-N 3.22Å |
| 209 | F | 85.9 | Confident | 84.4 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -126.8 | -2.2 | -170 | -53.3 | -73.7 | 0 | 0 | 0 | 114.6 | A205 V211 W269 R273 D286 L288 F313 F316 F317 | A205-F209 CarbonylContact O-C 3.57Å; A205-F209 WeakPolarHBondContact O-CA 3.21Å; A205-F209 WeakPolarHBondContact O-CB 3.46Å; A205-F209 PolarHBondContact O-N 3.17Å; F209-V211 HydrophobicContact CB-CG2 4.18Å; F209-V211 PolarHBondContact O-N 2.73Å; F209-W269 HydrophobicContact CB-CE3 3.64Å; F209-W269 HydrophobicContact CB-CZ3 3.85Å; F209-W269 HydrophobicContact CD1-CE3 4.48Å; F209-W269 HydrophobicContact CD2-CE3 4.36Å; F209-W269 HydrophobicContact CD2-CZ3 4.08Å; F209-W269 AromaticContact CG-CE3 3.91Å; F209-W269 HydrophobicContact CG-CE3 3.91Å; F209-W269 HydrophobicContact CG-CZ3 4.06Å; F209-R273 PolarHBondContact O-NH2 2.86Å; F209-D286 VanDerWaalsContact C-OD2 3.29Å; F209-L288 HydrophobicContact CD1-CB 3.93Å; F209-L288 HydrophobicContact CD1-CD2 3.99Å; F209-L288 HydrophobicContact CD1-CG 4.37Å; F209-L288 HydrophobicContact CE1-CB 4.46Å; F209-F313 AromaticContact CD1-CD2 3.7Å; F209-F313 HydrophobicContact CD1-CD2 3.7Å; F209-F313 AromaticContact CD1-CE2 3.65Å; F209-F313 HydrophobicContact CD1-CE2 3.65Å; F209-F313 HydrophobicContact CD2-CE2 4.2Å; F209-F313 HydrophobicContact CE1-CB 4.47Å; F209-F313 AromaticContact CE1-CD2 3.13Å; F209-F313 HydrophobicContact CE1-CD2 3.13Å; F209-F313 AromaticContact CE1-CE2 3.52Å; F209-F313 HydrophobicContact CE1-CE2 3.52Å; F209-F313 HydrophobicContact CE1-CG 4.11Å; F209-F313 HydrophobicContact CE2-CD2 4.22Å; F209-F313 HydrophobicContact CE2-CE2 4.07Å; F209-F313 HydrophobicContact CG-CD2 4.43Å; F209-F313 AromaticContact CG-CE2 3.98Å; F209-F313 HydrophobicContact CG-CE2 3.98Å; F209-F313 HydrophobicContact CZ-CB 4.48Å; F209-F313 AromaticContact CZ-CD2 3.4Å; F209-F313 HydrophobicContact CZ-CD2 3.4Å; F209-F313 AromaticContact CZ-CE2 3.7Å; F209-F313 HydrophobicContact CZ-CE2 3.7Å; F209-F313 HydrophobicContact CZ-CG 4.07Å; F209-F316 HydrophobicContact CE1-CD2 4.45Å; F209-F316 HydrophobicContact CZ-CB 4.32Å; F209-F316 AromaticContact CZ-CD2 3.8Å; F209-F316 HydrophobicContact CZ-CD2 3.8Å; F209-F317 HydrophobicContact CD2-CE1 4.44Å; F209-F317 AromaticContact CD2-CE2 3.69Å; F209-F317 HydrophobicContact CD2-CE2 3.69Å; F209-F317 AromaticContact CD2-CZ 3.42Å; F209-F317 HydrophobicContact CD2-CZ 3.42Å; F209-F317 VanDerWaalsContact CD2-CZ 3.42Å; F209-F317 HydrophobicContact CE2-CD2 4.05Å; F209-F317 HydrophobicContact CE2-CE1 4.22Å; F209-F317 AromaticContact CE2-CE2 3.12Å; F209-F317 HydrophobicContact CE2-CE2 3.12Å; F209-F317 AromaticContact CE2-CZ 3.26Å; F209-F317 HydrophobicContact CE2-CZ 3.26Å; F209-F317 HydrophobicContact CZ-CD2 4.47Å; F209-F317 AromaticContact CZ-CE2 3.74Å; F209-F317 HydrophobicContact CZ-CE2 3.74Å; F209-F317 HydrophobicContact CZ-CZ 4.3Å |
| 210 | G | 83.4 | Confident | 84 | Confident | 23 Ų | 23 | 33.9 Ų | 33.9 | 24% | 0.237 | 19% | 0.194 | C | C | . | . | trans | 71.2 | 9.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A205 K206 D286 | A205-G210 PolarHBondContact O-N 2.9Å; K206-G210 WeakPolarHBondContact O-CA 3.37Å; K206-G210 PolarHBondContact O-N 3.01Å; G210-D286 WeakPolarHBondContact CA-OD2 3.44Å; G210-D286 PolarHBondContact N-OD2 3.21Å | ||
| 211 | V | 85.2 | Confident | 83.8 | Confident | 36 Ų | 36 | 38.1 Ų | 38.1 | 22% | 0.218 | 22% | 0.222 | C | C | . | . | trans | -94.8 | 136.3 | -173.9 | 179.6 | 0 | 0 | 0 | 0 | 111 | A205 K206 F209 L213 W269 | A205-V211 CarbonylContact C-O 3.54Å; A205-V211 VanDerWaalsContact C-O 3.28Å; A205-V211 PolarHBondContact O-N 3.08Å; A205-V211 VanDerWaalsContact O-N 3.13Å; K206-V211 VanDerWaalsContact CA-O 3.31Å; K206-V211 WeakPolarHBondContact CA-O 3.3Å; K206-V211 PolarHBondContact N-O 2.94Å; F209-V211 HydrophobicContact CB-CG2 4.18Å; F209-V211 PolarHBondContact O-N 2.73Å; V211-L213 HydrophobicContact CG1-CD2 4.12Å; V211-L213 HydrophobicContact CG1-CG 4.46Å; V211-W269 HydrophobicContact CB-CE3 4.22Å; V211-W269 HydrophobicContact CB-CH2 3.79Å; V211-W269 HydrophobicContact CB-CZ2 4.13Å; V211-W269 HydrophobicContact CB-CZ3 3.81Å; V211-W269 HydrophobicContact CG1-CH2 3.65Å; V211-W269 HydrophobicContact CG1-CZ2 3.63Å; V211-W269 HydrophobicContact CG1-CZ3 4.21Å; V211-W269 HydrophobicContact CG2-CD2 3.71Å; V211-W269 HydrophobicContact CG2-CE3 3.55Å; V211-W269 HydrophobicContact CG2-CG 4.39Å; V211-W269 HydrophobicContact CG2-CH2 3.96Å; V211-W269 HydrophobicContact CG2-CZ2 4.05Å; V211-W269 HydrophobicContact CG2-CZ3 3.69Å | ||
| 212 | D | 83.1 | Confident | 83.5 | Confident | 71 Ų | 71 | 38.4 Ų | 38.4 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | trans | -98.8 | 111.2 | 170.7 | -157.2 | -20.8 | 0 | 0 | 0 | 109.5 | R172 K175 D214 | R172-D212 IonicContact CZ-OD1 2.93Å; R172-D212 IonicContact CZ-OD2 3.56Å; R172-D212 IonicContact NH1-OD1 3.49Å; R172-D212 PolarHBondContact NH1-OD1 3.34Å; R172-D212 IonicContact NH1-OD2 3.39Å; R172-D212 PolarHBondContact NH1-OD2 3.16Å; R172-D212 VanDerWaalsContact NH1-OD2 3.16Å; R172-D212 IonicContact NH2-OD1 2.77Å; R172-D212 IonicContact NH2-OD2 3.24Å; R172-D212 PolarHBondContact NH2-OD2 2.7Å; K175-D212 IonicContact NZ-OD1 3.31Å; K175-D212 IonicContact NZ-OD2 2.97Å; K175-D212 PolarHBondContact NZ-OD2 3.29Å; D212-D214 PolarHBondContact OD1-N 3.3Å; D212-D214 VanDerWaalsContact OD1-N 3.08Å | ||
| 213 | L | 81.5 | Confident | 83.4 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | trans | -89.8 | -20 | 174.1 | -62.3 | 174.3 | 0 | 0 | 0 | 112 | L201 D202 A205 V211 L215 F222 W269 | L201-L213 HydrophobicContact CD2-CD1 4.42Å; L201-L213 HydrophobicContact CG-CD1 4.13Å; D202-L213 WeakPolarHBondContact OD1-CB 3.48Å; A205-L213 HydrophobicContact CB-CD1 3.66Å; A205-L213 HydrophobicContact CB-CG 3.9Å; V211-L213 HydrophobicContact CG1-CD2 4.12Å; V211-L213 HydrophobicContact CG1-CG 4.46Å; L213-L215 VanDerWaalsContact C-N 3.35Å; L213-L215 HydrophobicContact CB-CD1 4.23Å; L213-L215 HydrophobicContact CB-CD2 4.08Å; L213-L215 HydrophobicContact CB-CG 3.78Å; L213-L215 HydrophobicContact CD1-CD1 4.17Å; L213-L215 PolarHBondContact O-N 3Å; L213-F222 HydrophobicContact CD1-CD1 4.37Å; L213-W269 HydrophobicContact CD2-CH2 4.06Å; L213-W269 HydrophobicContact CD2-CZ2 4.17Å | ||
| 214 | D | 80.3 | Confident | 83.3 | Confident | 35 Ų | 35 | 44.8 Ų | 44.8 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | trans | 42.1 | 53.6 | -177.1 | -155.7 | 50.5 | 0 | 0 | 0 | 114.1 | K175 D202 D212 L216 S217 N218 | K175-D214 IonicContact NZ-OD1 3.41Å; K175-D214 PolarHBondContact NZ-OD1 3.31Å; D202-D214 PolarHBondContact OD1-N 2.72Å; D212-D214 PolarHBondContact OD1-N 3.3Å; D212-D214 VanDerWaalsContact OD1-N 3.08Å; D214-L216 PolarHBondContact O-N 3.4Å; D214-L216 VanDerWaalsContact O-N 3.14Å; D214-S217 PolarHBondContact O-N 3.36Å; D214-S217 WeakPolarHBondContact OD2-CB 3.46Å; D214-S217 PolarHBondContact OD2-OG 2.91Å; D214-N218 WeakPolarHBondContact O-CB 3.19Å; D214-N218 PolarHBondContact O-N 3Å | ||
| 215 | L | 81.9 | Confident | 83.4 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8.9 | -169.7 | -65.8 | 170.5 | 0 | 0 | 0 | 114.7 | L201 D202 L213 P223 | L201-L215 HydrophobicContact CB-CD1 3.71Å; L201-L215 HydrophobicContact CD2-CD1 3.26Å; L201-L215 HydrophobicContact CG-CD1 3.49Å; L201-L215 VanDerWaalsContact CG-CD1 3.49Å; D202-L215 WeakPolarHBondContact OD1-CD1 3.32Å; D202-L215 VanDerWaalsContact OD1-CG 3.23Å; D202-L215 WeakPolarHBondContact OD1-CG 3.27Å; D202-L215 PolarHBondContact OD1-N 3.42Å; D202-L215 PolarHBondContact OD2-N 3.2Å; L213-L215 VanDerWaalsContact C-N 3.35Å; L213-L215 HydrophobicContact CB-CD1 4.23Å; L213-L215 HydrophobicContact CB-CD2 4.08Å; L213-L215 HydrophobicContact CB-CG 3.78Å; L213-L215 HydrophobicContact CD1-CD1 4.17Å; L213-L215 PolarHBondContact O-N 3Å; L215-P223 HydrophobicContact CD1-CG 4.07Å; L215-P223 HydrophobicContact CD2-CG 3.83Å |
| 216 | L | 75.6 | Confident | 83.4 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -24.9 | 171.6 | -67.8 | 178.3 | 0 | 0 | 0 | 112.5 | K175 K179 L195 V199 D214 | K175-L216 HydrophobicContact CB-CD1 4.09Å; K175-L216 WeakPolarHBondContact O-CD1 3.44Å; K179-L216 HydrophobicContact CB-CD1 4.35Å; L195-L216 HydrophobicContact CD2-CD2 3.85Å; V199-L216 HydrophobicContact CG2-CD1 3.66Å; V199-L216 HydrophobicContact CG2-CD2 4.04Å; V199-L216 HydrophobicContact CG2-CG 4.04Å; D214-L216 PolarHBondContact O-N 3.4Å; D214-L216 VanDerWaalsContact O-N 3.14Å |
| 217 | S | 72.7 | Confident | 83.3 | Confident | 88 Ų | 88 | 43.8 Ų | 43.8 | 62% | 0.615 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -27.2 | -178 | -39.9 | 0 | 0 | 0 | 0 | 112.5 | D214 | D214-S217 PolarHBondContact O-N 3.36Å; D214-S217 WeakPolarHBondContact OD2-CB 3.46Å; D214-S217 PolarHBondContact OD2-OG 2.91Å |
| 218 | N | 75.2 | Confident | 83.5 | Confident | 93 Ų | 93 | 43.9 Ų | 43.9 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -121.4 | 147.3 | -171.6 | -69 | -44.1 | 0 | 0 | 0 | 113.1 | D214 | D214-N218 WeakPolarHBondContact O-CB 3.19Å; D214-N218 PolarHBondContact O-N 3Å |
| 219 | N | 76 | Confident | 83.9 | Confident | 174 Ų | 174 | 43.9 Ų | 43.9 | 93% | 0.93 | 25% | 0.252 | S | S | * | . | trans | -89.1 | 110.4 | 172.1 | -76.5 | -24.7 | 0 | 0 | 0 | 110.4 | ||||
| 220 | S | 81.9 | Confident | 84 | Confident | 38 Ų | 38 | 44.1 Ų | 44.1 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | trans | -100.4 | 144.7 | 170.5 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | F222 P223 | S220-F222 PolarHBondContact O-N 3.34Å; S220-F222 VanDerWaalsContact OG-CB 3.24Å; S220-F222 WeakPolarHBondContact OG-CB 3.41Å; S220-F222 PolarHBondContact OG-N 3.33Å; S220-F222 VanDerWaalsContact OG-N 3.16Å; S220-P223 VanDerWaalsContact O-CD 3.31Å; S220-P223 WeakPolarHBondContact O-CD 3.42Å | ||
| 221 | P | 85.8 | Confident | 84.3 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 58% | 0.578 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -70.8 | -12 | 169.6 | 30.4 | -35.6 | 0 | 0 | 0 | 112.9 | K224 A225 L261 | P221-K224 PolarHBondContact O-N 3.45Å; P221-A225 PolarHBondContact O-N 3.08Å; P221-L261 HydrophobicContact CB-CD2 3.94Å; P221-L261 HydrophobicContact CG-CD2 4.12Å |
| 222 | F | 85.6 | Confident | 84.6 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -48.4 | -170.7 | -158.6 | -98.3 | 0 | 0 | 0 | 114.5 | L201 L213 S220 K224 A225 I226 L262 T265 F313 F317 | L201-F222 HydrophobicContact CD1-CD1 4.22Å; L201-F222 HydrophobicContact CD1-CE1 4.18Å; L201-F222 HydrophobicContact CD2-CD1 4.1Å; L213-F222 HydrophobicContact CD1-CD1 4.37Å; S220-F222 PolarHBondContact O-N 3.34Å; S220-F222 VanDerWaalsContact OG-CB 3.24Å; S220-F222 WeakPolarHBondContact OG-CB 3.41Å; S220-F222 PolarHBondContact OG-N 3.33Å; S220-F222 VanDerWaalsContact OG-N 3.16Å; F222-K224 VanDerWaalsContact C-N 3.26Å; F222-K224 PolarHBondContact O-N 2.88Å; F222-A225 PolarHBondContact O-N 3.05Å; F222-I226 HydrophobicContact CD1-CD1 3.69Å; F222-I226 HydrophobicContact CE1-CD1 3.6Å; F222-I226 HydrophobicContact CE1-CG1 4.48Å; F222-I226 PolarHBondContact O-N 2.86Å; F222-I226 VanDerWaalsContact O-N 3.11Å; F222-L262 HydrophobicContact CD1-CD2 4.41Å; F222-L262 HydrophobicContact CD2-CD2 3.61Å; F222-L262 HydrophobicContact CE1-CD2 4.16Å; F222-L262 HydrophobicContact CE2-CD2 3.32Å; F222-L262 HydrophobicContact CG-CD2 4.15Å; F222-L262 HydrophobicContact CZ-CD2 3.63Å; F222-T265 HydrophobicContact CE2-CG2 4.12Å; F222-F313 HydrophobicContact CZ-CE1 4.45Å; F222-F317 HydrophobicContact CE1-CB 4.25Å; F222-F317 AromaticContact CE1-CD1 3.46Å; F222-F317 HydrophobicContact CE1-CD1 3.46Å; F222-F317 VanDerWaalsContact CE1-CD1 3.46Å; F222-F317 HydrophobicContact CE1-CD2 4.05Å; F222-F317 AromaticContact CE1-CE1 3.62Å; F222-F317 HydrophobicContact CE1-CE1 3.62Å; F222-F317 HydrophobicContact CE1-CE2 4.22Å; F222-F317 AromaticContact CE1-CG 3.64Å; F222-F317 HydrophobicContact CE1-CG 3.64Å; F222-F317 HydrophobicContact CE1-CZ 4Å; F222-F317 HydrophobicContact CZ-CB 4.46Å; F222-F317 HydrophobicContact CZ-CD1 4.02Å; F222-F317 AromaticContact CZ-CD2 3.73Å; F222-F317 HydrophobicContact CZ-CD2 3.73Å; F222-F317 HydrophobicContact CZ-CE1 4.1Å; F222-F317 AromaticContact CZ-CE2 3.86Å; F222-F317 HydrophobicContact CZ-CE2 3.86Å; F222-F317 AromaticContact CZ-CG 3.8Å; F222-F317 HydrophobicContact CZ-CG 3.8Å; F222-F317 HydrophobicContact CZ-CZ 4.01Å |
| 223 | P | 86.3 | Confident | 84.9 | Confident | 34 Ų | 34 | 41.6 Ų | 41.6 | 22% | 0.221 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.2 | -39 | 176.4 | -17.6 | 28.1 | 0 | 0 | 0 | 112.1 | L201 L215 S220 I226 E227 | L201-P223 HydrophobicContact CD2-CB 4.05Å; L201-P223 HydrophobicContact CD2-CG 3.66Å; L215-P223 HydrophobicContact CD1-CG 4.07Å; L215-P223 HydrophobicContact CD2-CG 3.83Å; S220-P223 VanDerWaalsContact O-CD 3.31Å; S220-P223 WeakPolarHBondContact O-CD 3.42Å; P223-I226 PolarHBondContact O-N 3.32Å; P223-E227 PolarHBondContact O-N 3.49Å |
| 224 | K | 88.1 | Confident | 85.2 | Confident | 104 Ų | 104 | 40.7 Ų | 40.7 | 45% | 0.452 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 179.3 | -174.9 | 62.2 | -173.6 | 176.2 | 0 | 111.8 | P221 F222 I226 E227 T228 | P221-K224 PolarHBondContact O-N 3.45Å; F222-K224 VanDerWaalsContact C-N 3.26Å; F222-K224 PolarHBondContact O-N 2.88Å; K224-I226 VanDerWaalsContact C-N 3.32Å; K224-I226 PolarHBondContact O-N 3.24Å; K224-E227 IonicContact NZ-OE2 2.63Å; K224-E227 PolarHBondContact NZ-OE2 3.47Å; K224-E227 PolarHBondContact O-N 3.09Å; K224-T228 WeakPolarHBondContact O-CB 3.42Å; K224-T228 PolarHBondContact O-N 2.87Å; K224-T228 PolarHBondContact O-OG1 3.43Å |
| 225 | A | 91.3 | Very high | 85.7 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P221 F222 C229 A258 L261 L262 | P221-A225 PolarHBondContact O-N 3.08Å; F222-A225 PolarHBondContact O-N 3.05Å; A225-C229 WeakPolarHBondContact O-CB 3.28Å; A225-C229 PolarHBondContact O-N 3.22Å; A225-C229 PolarHBondContact O-SG 2.7Å; A225-A258 HydrophobicContact CB-CB 3.89Å; A225-L261 HydrophobicContact CB-CD2 3.99Å; A225-L262 HydrophobicContact CB-CD1 4.49Å; A225-L262 HydrophobicContact CB-CD2 4.05Å; A225-L262 HydrophobicContact CB-CG 4.12Å |
| 226 | I | 89.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -51.5 | 174.1 | -70.2 | 167.5 | 0 | 0 | 0 | 110.6 | L201 F222 P223 K224 T228 C229 L230 L262 F317 I318 E323 | L201-I226 HydrophobicContact CD1-CD1 4.17Å; L201-I226 HydrophobicContact CD2-CD1 4.45Å; F222-I226 HydrophobicContact CD1-CD1 3.69Å; F222-I226 HydrophobicContact CE1-CD1 3.6Å; F222-I226 HydrophobicContact CE1-CG1 4.48Å; F222-I226 PolarHBondContact O-N 2.86Å; F222-I226 VanDerWaalsContact O-N 3.11Å; P223-I226 PolarHBondContact O-N 3.32Å; K224-I226 VanDerWaalsContact C-N 3.32Å; K224-I226 PolarHBondContact O-N 3.24Å; I226-T228 VanDerWaalsContact C-N 3.33Å; I226-T228 PolarHBondContact O-N 3.45Å; I226-C229 PolarHBondContact O-N 3.2Å; I226-L230 HydrophobicContact CG2-CD1 3.85Å; I226-L230 WeakPolarHBondContact O-CG 3.44Å; I226-L230 PolarHBondContact O-N 2.96Å; I226-L262 HydrophobicContact CG1-CD1 4.26Å; I226-L262 HydrophobicContact CG1-CD2 3.97Å; I226-F317 HydrophobicContact CD1-CB 3.89Å; I226-F317 HydrophobicContact CD1-CD1 4.44Å; I226-F317 HydrophobicContact CD1-CG 4.49Å; I226-I318 HydrophobicContact CB-CD1 4.28Å; I226-I318 HydrophobicContact CG1-CD1 4.11Å; I226-I318 HydrophobicContact CG2-CD1 3.92Å; I226-E323 HydrophobicContact CG2-CG 4.18Å |
| 227 | E | 87.9 | Confident | 86.6 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 179.2 | -167.2 | -158.4 | -178.6 | 0 | 0 | 111.7 | P223 K224 C229 L230 K231 R495 | P223-E227 PolarHBondContact O-N 3.49Å; K224-E227 IonicContact NZ-OE2 2.63Å; K224-E227 PolarHBondContact NZ-OE2 3.47Å; K224-E227 PolarHBondContact O-N 3.09Å; E227-C229 PolarHBondContact O-N 2.89Å; E227-L230 PolarHBondContact O-N 2.8Å; E227-K231 HydrophobicContact CG-CD 4.44Å; E227-K231 WeakPolarHBondContact O-CG 3.46Å; E227-K231 PolarHBondContact O-N 3.18Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 3.63Å; E227-K231 PolarHBondContact OE1-NZ 2.98Å; E227-K231 IonicContact OE2-NZ 3.56Å; E227-R495 IonicContact OE1-NH1 2.72Å; E227-R495 IonicContact OE1-NH2 2.7Å |
| 228 | T | 91.8 | Very high | 87.3 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 178.4 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | K224 I226 G232 F251 E254 V255 A258 | K224-T228 WeakPolarHBondContact O-CB 3.42Å; K224-T228 PolarHBondContact O-N 2.87Å; K224-T228 PolarHBondContact O-OG1 3.43Å; I226-T228 VanDerWaalsContact C-N 3.33Å; I226-T228 PolarHBondContact O-N 3.45Å; T228-G232 PolarHBondContact O-N 3.08Å; T228-F251 HydrophobicContact CG2-CE2 4.44Å; T228-E254 HydrophobicContact CG2-CG 4.05Å; T228-E254 PolarHBondContact OG1-OE1 3.24Å; T228-E254 VanDerWaalsContact OG1-OE1 3.11Å; T228-V255 HydrophobicContact CG2-CB 4.39Å; T228-V255 HydrophobicContact CG2-CG2 3.7Å; T228-A258 HydrophobicContact CG2-CB 4.25Å |
| 229 | C | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 175.9 | -71 | 0 | 0 | 0 | 0 | 112.8 | L127 F132 A225 I226 E227 G232 I233 I318 | L127-C229 HydrophobicContact CD2-CB 4.01Å; L127-C229 WeakPolarHBondContact CD2-O 3.3Å; F132-C229 HydrophobicContact CE1-CB 4.22Å; F132-C229 HydrophobicContact CE2-CB 3.66Å; F132-C229 VanDerWaalsContact CE2-SG 3.53Å; F132-C229 HydrophobicContact CZ-CB 3.38Å; A225-C229 WeakPolarHBondContact O-CB 3.28Å; A225-C229 PolarHBondContact O-N 3.22Å; A225-C229 PolarHBondContact O-SG 2.7Å; I226-C229 PolarHBondContact O-N 3.2Å; E227-C229 PolarHBondContact O-N 2.89Å; C229-G232 CarbonylContact O-C 3.56Å; C229-G232 WeakPolarHBondContact O-CA 3.23Å; C229-G232 PolarHBondContact O-N 3.28Å; C229-G232 VanDerWaalsContact O-N 3.09Å; C229-I233 PolarHBondContact O-N 3.17Å; C229-I318 HydrophobicContact CB-CD1 4.46Å |
| 230 | L | 88.8 | Confident | 88.3 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 178.3 | -75.1 | 165.2 | 0 | 0 | 0 | 112.1 | I226 E227 G232 I233 V234 I318 E323 | I226-L230 HydrophobicContact CG2-CD1 3.85Å; I226-L230 WeakPolarHBondContact O-CG 3.44Å; I226-L230 PolarHBondContact O-N 2.96Å; E227-L230 PolarHBondContact O-N 2.8Å; L230-G232 VanDerWaalsContact C-N 3.26Å; L230-G232 PolarHBondContact O-N 2.81Å; L230-I233 HydrophobicContact CD2-CD1 4.28Å; L230-I233 WeakPolarHBondContact O-CB 3.49Å; L230-I233 PolarHBondContact O-N 3.43Å; L230-I233 VanDerWaalsContact O-N 3.11Å; L230-V234 PolarHBondContact O-N 2.93Å; L230-V234 VanDerWaalsContact O-N 3.13Å; L230-I318 HydrophobicContact CD2-CG2 3.85Å; L230-E323 HydrophobicContact CD1-CB 4.15Å; L230-E323 HydrophobicContact CD1-CG 3.4Å |
| 231 | K | 89.4 | Confident | 88.6 | Confident | 60 Ų | 60 | 31.3 Ų | 31.3 | 26% | 0.261 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 170.4 | -74.5 | 171.3 | 170.2 | 169.1 | 0 | 111.3 | E227 I233 V234 Y235 F251 | E227-K231 HydrophobicContact CG-CD 4.44Å; E227-K231 WeakPolarHBondContact O-CG 3.46Å; E227-K231 PolarHBondContact O-N 3.18Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 3.63Å; E227-K231 PolarHBondContact OE1-NZ 2.98Å; E227-K231 IonicContact OE2-NZ 3.56Å; K231-I233 VanDerWaalsContact C-N 3.34Å; K231-I233 PolarHBondContact O-N 3Å; K231-V234 PolarHBondContact O-N 2.96Å; K231-Y235 WeakPolarHBondContact O-CD2 3.27Å; K231-Y235 PolarHBondContact O-N 2.86Å; K231-Y235 VanDerWaalsContact O-N 3.11Å; K231-F251 HydrophobicContact CB-CZ 4.01Å |
| 232 | G | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.7 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T228 C229 L230 Y235 Q236 | T228-G232 PolarHBondContact O-N 3.08Å; C229-G232 CarbonylContact O-C 3.56Å; C229-G232 WeakPolarHBondContact O-CA 3.23Å; C229-G232 PolarHBondContact O-N 3.28Å; C229-G232 VanDerWaalsContact O-N 3.09Å; L230-G232 VanDerWaalsContact C-N 3.26Å; L230-G232 PolarHBondContact O-N 2.81Å; G232-Y235 PolarHBondContact O-N 3.23Å; G232-Q236 WeakPolarHBondContact O-CB 3.38Å; G232-Q236 PolarHBondContact O-N 2.88Å |
| 233 | I | 89.5 | Confident | 89 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 8% | 0.082 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 178.1 | -68.3 | 165 | 0 | 0 | 0 | 110.1 | M124 L127 F132 C229 L230 K231 Y235 Q236 V237 I318 | M124-I233 HydrophobicContact CG-CG2 4.07Å; L127-I233 HydrophobicContact CD1-CB 4.49Å; L127-I233 HydrophobicContact CD1-CG1 3.89Å; L127-I233 HydrophobicContact CD2-CG1 4.41Å; F132-I233 HydrophobicContact CD1-CD1 4.42Å; F132-I233 HydrophobicContact CE1-CD1 3.69Å; F132-I233 HydrophobicContact CE1-CG1 4.28Å; C229-I233 PolarHBondContact O-N 3.17Å; L230-I233 HydrophobicContact CD2-CD1 4.28Å; L230-I233 WeakPolarHBondContact O-CB 3.49Å; L230-I233 PolarHBondContact O-N 3.43Å; L230-I233 VanDerWaalsContact O-N 3.11Å; K231-I233 VanDerWaalsContact C-N 3.34Å; K231-I233 PolarHBondContact O-N 3Å; I233-Y235 VanDerWaalsContact C-N 3.33Å; I233-Y235 PolarHBondContact O-N 2.86Å; I233-Q236 PolarHBondContact O-N 2.81Å; I233-V237 HydrophobicContact CG2-CG2 4.07Å; I233-V237 WeakPolarHBondContact O-CB 3.35Å; I233-V237 VanDerWaalsContact O-CG2 3.24Å; I233-V237 WeakPolarHBondContact O-CG2 3.33Å; I233-V237 PolarHBondContact O-N 3.46Å; I233-I318 HydrophobicContact CD1-CG2 4.4Å |
| 234 | V | 88.3 | Confident | 89.3 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56 | -49.5 | -179.8 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | M66 L230 K231 V237 R238 | M66-V234 HydrophobicContact CE-CG1 3.54Å; M66-V234 HydrophobicContact SD-CG1 4.29Å; L230-V234 PolarHBondContact O-N 2.93Å; L230-V234 VanDerWaalsContact O-N 3.13Å; K231-V234 PolarHBondContact O-N 2.96Å; V234-V237 PolarHBondContact O-N 2.99Å; V234-R238 WeakPolarHBondContact O-CB 2.92Å; V234-R238 WeakPolarHBondContact O-CG 3.25Å; V234-R238 PolarHBondContact O-N 3.29Å |
| 235 | Y | 91 | Very high | 89.4 | Confident | 91 Ų | 91 | 34.4 Ų | 34.4 | 36% | 0.357 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 179.8 | -73.8 | -57.8 | 0 | 0 | 0 | 112.6 | M66 K231 G232 I233 V237 D239 F242 F251 | M66-Y235 HydrophobicContact CE-CD1 3.87Å; M66-Y235 HydrophobicContact CE-CE1 3.94Å; K231-Y235 WeakPolarHBondContact O-CD2 3.27Å; K231-Y235 PolarHBondContact O-N 2.86Å; K231-Y235 VanDerWaalsContact O-N 3.11Å; G232-Y235 PolarHBondContact O-N 3.23Å; I233-Y235 VanDerWaalsContact C-N 3.33Å; I233-Y235 PolarHBondContact O-N 2.86Å; Y235-V237 VanDerWaalsContact C-N 3.33Å; Y235-V237 PolarHBondContact O-N 3.3Å; Y235-D239 WeakPolarHBondContact O-CA 3.37Å; Y235-D239 PolarHBondContact O-N 3.49Å; Y235-F242 AromaticContact CD1-CD2 3.68Å; Y235-F242 HydrophobicContact CD1-CD2 3.68Å; Y235-F242 AromaticContact CD1-CE2 3.38Å; Y235-F242 HydrophobicContact CD1-CE2 3.38Å; Y235-F242 HydrophobicContact CD1-CZ 4.13Å; Y235-F242 HydrophobicContact CD2-CE2 4.03Å; Y235-F242 AromaticContact CD2-CZ 3.93Å; Y235-F242 HydrophobicContact CD2-CZ 3.93Å; Y235-F242 AromaticContact CE1-CE2 3.92Å; Y235-F242 HydrophobicContact CE1-CE2 3.92Å; Y235-F242 HydrophobicContact CE2-CE2 4.48Å; Y235-F242 HydrophobicContact CE2-CZ 4.48Å; Y235-F242 AromaticContact CG-CD2 3.85Å; Y235-F242 HydrophobicContact CG-CD2 3.85Å; Y235-F242 HydrophobicContact CG-CE1 4.35Å; Y235-F242 AromaticContact CG-CE2 3.46Å; Y235-F242 HydrophobicContact CG-CE2 3.46Å; Y235-F242 VanDerWaalsContact CG-CE2 3.46Å; Y235-F242 HydrophobicContact CG-CG 4.45Å; Y235-F242 AromaticContact CG-CZ 3.74Å; Y235-F242 HydrophobicContact CG-CZ 3.74Å; Y235-F251 AromaticContact CD2-CE1 3.6Å; Y235-F251 HydrophobicContact CD2-CE1 3.6Å; Y235-F251 AromaticContact CD2-CZ 3.93Å; Y235-F251 HydrophobicContact CD2-CZ 3.93Å; Y235-F251 HydrophobicContact CE2-CE1 4.06Å; Y235-F251 HydrophobicContact CE2-CZ 4.07Å |
| 236 | Q | 90 | Very high | 89.5 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -34.4 | -179.4 | -173.8 | 172.9 | -23 | 0 | 0 | 112.9 | R123 N126 L127 F128 G232 I233 | R123-Q236 HydrophobicContact CB-CG 4.23Å; R123-Q236 VanDerWaalsContact CD-O 3.3Å; R123-Q236 WeakPolarHBondContact CD-O 3.3Å; R123-Q236 HydrophobicContact CG-CG 4.21Å; R123-Q236 PolarHBondContact NE-O 3.15Å; R123-Q236 PolarHBondContact O-NE2 2.87Å; N126-Q236 PolarHBondContact O-NE2 3.39Å; L127-Q236 VanDerWaalsContact CA-OE1 3.31Å; L127-Q236 HydrophobicContact CD1-CB 4.45Å; F128-Q236 HydrophobicContact CE1-CB 3.9Å; F128-Q236 HydrophobicContact CE1-CG 4.26Å; F128-Q236 HydrophobicContact CZ-CB 4.02Å; G232-Q236 WeakPolarHBondContact O-CB 3.38Å; G232-Q236 PolarHBondContact O-N 2.88Å; I233-Q236 PolarHBondContact O-N 2.81Å |
| 237 | V | 85.9 | Confident | 89.7 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -78.5 | -44.6 | -179.9 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | L120 R123 I233 V234 Y235 | L120-V237 HydrophobicContact CD1-CB 4.21Å; L120-V237 HydrophobicContact CD1-CG1 3.46Å; L120-V237 VanDerWaalsContact CD1-CG1 3.46Å; L120-V237 HydrophobicContact CD1-CG2 3.63Å; R123-V237 HydrophobicContact CB-CG2 4.11Å; I233-V237 HydrophobicContact CG2-CG2 4.07Å; I233-V237 WeakPolarHBondContact O-CB 3.35Å; I233-V237 VanDerWaalsContact O-CG2 3.24Å; I233-V237 WeakPolarHBondContact O-CG2 3.33Å; I233-V237 PolarHBondContact O-N 3.46Å; V234-V237 PolarHBondContact O-N 2.99Å; Y235-V237 VanDerWaalsContact C-N 3.33Å; Y235-V237 PolarHBondContact O-N 3.3Å |
| 238 | R | 86.3 | Confident | 90.1 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -98.5 | -28.2 | -167.6 | -59.8 | 179.9 | -177.9 | 170.6 | -5.4 | 114.5 | M66 H73 V234 D490 | M66-R238 HydrophobicContact CE-CB 4.39Å; M66-R238 HydrophobicContact SD-CB 3.47Å; M66-R238 WeakPolarHBondContact SD-CB 3.49Å; M66-R238 VanDerWaalsContact SD-CD 3.52Å; M66-R238 HydrophobicContact SD-CG 4.15Å; H73-R238 PolarHBondContact NE2-NH2 3.21Å; V234-R238 WeakPolarHBondContact O-CB 2.92Å; V234-R238 WeakPolarHBondContact O-CG 3.25Å; V234-R238 PolarHBondContact O-N 3.29Å; R238-D490 IonicContact CZ-OD1 2.82Å; R238-D490 IonicContact CZ-OD2 3.98Å; R238-D490 IonicContact NH1-OD1 3.81Å; R238-D490 PolarHBondContact NH1-OD1 3.41Å; R238-D490 IonicContact NH1-OD2 3.26Å; R238-D490 PolarHBondContact NH1-OD2 3.25Å; R238-D490 IonicContact NH2-OD1 2.67Å; R238-D490 PolarHBondContact NH2-OD1 3.43Å; R238-D490 IonicContact NH2-OD2 2.79Å; R238-D490 PolarHBondContact NH2-OD2 2.98Å |
| 239 | D | 88.4 | Confident | 90.2 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | trans | -107.5 | 91.8 | 171.6 | -177.6 | -0.7 | 0 | 0 | 0 | 109.7 | V63 Y235 L241 F242 K245 | V63-D239 HydrophobicContact CG2-CB 3.75Å; Y235-D239 WeakPolarHBondContact O-CA 3.37Å; Y235-D239 PolarHBondContact O-N 3.49Å; D239-L241 PolarHBondContact O-N 3.48Å; D239-L241 PolarHBondContact OD1-N 2.99Å; D239-F242 HydrophobicContact CB-CB 3.9Å; D239-F242 HydrophobicContact CB-CD2 4.33Å; D239-F242 VanDerWaalsContact O-CB 3.23Å; D239-F242 WeakPolarHBondContact O-CB 3.39Å; D239-F242 PolarHBondContact O-N 3.26Å; D239-F242 PolarHBondContact OD1-N 2.81Å; D239-K245 IonicContact OD1-NZ 2.65Å; D239-K245 PolarHBondContact OD1-NZ 2.63Å; D239-K245 IonicContact OD2-NZ 2.72Å; D239-K245 PolarHBondContact OD2-NZ 3.28Å | ||
| 240 | S | 83.6 | Confident | 90.4 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -17.1 | -179 | -48.3 | 0 | 0 | 0 | 0 | 114 | ||
| 241 | L | 88.6 | Confident | 90.7 | Very high | 75 Ų | 75 | 59 Ų | 59 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 3.8 | 179.2 | -60.9 | -180 | 0 | 0 | 0 | 113.1 | L56 D239 Q243 F244 | L56-L241 HydrophobicContact CD1-CD1 4.05Å; L56-L241 HydrophobicContact CD2-CD1 4.41Å; L56-L241 HydrophobicContact CD2-CG 4.42Å; D239-L241 PolarHBondContact O-N 3.48Å; D239-L241 PolarHBondContact OD1-N 2.99Å; L241-Q243 PolarHBondContact O-N 3.47Å; L241-F244 HydrophobicContact CD2-CD2 4.29Å; L241-F244 PolarHBondContact O-N 2.9Å |
| 242 | F | 90.4 | Very high | 91 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 6% | 0.057 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -58.1 | -46.8 | -171.6 | -169.6 | -91.8 | 0 | 0 | 0 | 112.9 | F128 Y235 D239 F244 K245 N248 F251 I252 | F128-F242 AromaticContact CE1-CD1 3.77Å; F128-F242 HydrophobicContact CE1-CD1 3.77Å; F128-F242 HydrophobicContact CE1-CE1 4.32Å; F128-F242 AromaticContact CZ-CD1 3.71Å; F128-F242 HydrophobicContact CZ-CD1 3.71Å; F128-F242 AromaticContact CZ-CE1 3.87Å; F128-F242 HydrophobicContact CZ-CE1 3.87Å; Y235-F242 AromaticContact CD1-CD2 3.68Å; Y235-F242 HydrophobicContact CD1-CD2 3.68Å; Y235-F242 AromaticContact CD1-CE2 3.38Å; Y235-F242 HydrophobicContact CD1-CE2 3.38Å; Y235-F242 HydrophobicContact CD1-CZ 4.13Å; Y235-F242 HydrophobicContact CD2-CE2 4.03Å; Y235-F242 AromaticContact CD2-CZ 3.93Å; Y235-F242 HydrophobicContact CD2-CZ 3.93Å; Y235-F242 AromaticContact CE1-CE2 3.92Å; Y235-F242 HydrophobicContact CE1-CE2 3.92Å; Y235-F242 HydrophobicContact CE2-CE2 4.48Å; Y235-F242 HydrophobicContact CE2-CZ 4.48Å; Y235-F242 AromaticContact CG-CD2 3.85Å; Y235-F242 HydrophobicContact CG-CD2 3.85Å; Y235-F242 HydrophobicContact CG-CE1 4.35Å; Y235-F242 AromaticContact CG-CE2 3.46Å; Y235-F242 HydrophobicContact CG-CE2 3.46Å; Y235-F242 VanDerWaalsContact CG-CE2 3.46Å; Y235-F242 HydrophobicContact CG-CG 4.45Å; Y235-F242 AromaticContact CG-CZ 3.74Å; Y235-F242 HydrophobicContact CG-CZ 3.74Å; D239-F242 HydrophobicContact CB-CB 3.9Å; D239-F242 HydrophobicContact CB-CD2 4.33Å; D239-F242 VanDerWaalsContact O-CB 3.23Å; D239-F242 WeakPolarHBondContact O-CB 3.39Å; D239-F242 PolarHBondContact O-N 3.26Å; D239-F242 PolarHBondContact OD1-N 2.81Å; F242-F244 VanDerWaalsContact C-N 3.27Å; F242-F244 PolarHBondContact O-N 2.87Å; F242-K245 PolarHBondContact O-N 3.44Å; F242-N248 HydrophobicContact CD1-CB 4.2Å; F242-N248 VanDerWaalsContact CD2-ND2 3.26Å; F242-N248 WeakPolarHBondContact CD2-ND2 3.48Å; F242-N248 HydrophobicContact CE1-CB 3.8Å; F242-N248 HydrophobicContact CE2-CB 4.4Å; F242-N248 WeakPolarHBondContact CE2-ND2 3.41Å; F242-N248 WeakPolarHBondContact CG-ND2 3.41Å; F242-N248 HydrophobicContact CZ-CB 3.91Å; F242-N248 PolarHBondContact O-ND2 3.35Å; F242-F251 AromaticContact CE1-CD1 3.74Å; F242-F251 HydrophobicContact CE1-CD1 3.74Å; F242-F251 HydrophobicContact CE1-CE1 4.13Å; F242-F251 AromaticContact CZ-CD1 3.64Å; F242-F251 HydrophobicContact CZ-CD1 3.64Å; F242-F251 HydrophobicContact CZ-CE1 4.01Å; F242-I252 HydrophobicContact CD1-CD1 4.27Å; F242-I252 HydrophobicContact CD1-CG1 4.35Å; F242-I252 HydrophobicContact CE1-CD1 4.3Å; F242-I252 HydrophobicContact CE1-CG1 4Å |
| 243 | Q | 90.8 | Very high | 91.3 | Very high | 87 Ų | 87 | 59.3 Ų | 59.3 | 41% | 0.407 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -69.9 | -21.9 | -176.2 | 66.9 | -178.4 | -11.1 | 0 | 0 | 114.3 | F128 L241 W249 I252 | F128-Q243 HydrophobicContact CD1-CB 4.16Å; F128-Q243 HydrophobicContact CE1-CB 4.37Å; L241-Q243 PolarHBondContact O-N 3.47Å; Q243-W249 PolarHBondContact O-NE1 2.8Å; Q243-I252 HydrophobicContact CB-CD1 4.19Å |
| 244 | F | 90.6 | Very high | 91.6 | Very high | 138 Ų | 138 | 62.6 Ų | 62.6 | 61% | 0.605 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -88.2 | -5.1 | -177 | -56 | -65.3 | 0 | 0 | 0 | 113 | L241 F242 P246 | L241-F244 HydrophobicContact CD2-CD2 4.29Å; L241-F244 PolarHBondContact O-N 2.9Å; F242-F244 VanDerWaalsContact C-N 3.27Å; F242-F244 PolarHBondContact O-N 2.87Å; F244-P246 WeakPolarHBondContact O-CD 3.22Å |
| 245 | K | 91.4 | Very high | 92 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 26% | 0.261 | 30% | 0.297 | S | S | . | . | trans | -91.6 | 114.9 | 178.8 | -66 | 166.8 | -168.4 | 164.5 | 0 | 109.3 | D239 F242 K247 N248 | D239-K245 IonicContact OD1-NZ 2.65Å; D239-K245 PolarHBondContact OD1-NZ 2.63Å; D239-K245 IonicContact OD2-NZ 2.72Å; D239-K245 PolarHBondContact OD2-NZ 3.28Å; F242-K245 PolarHBondContact O-N 3.44Å; K245-K247 HydrophobicContact CB-CG 4.21Å; K245-K247 PolarHBondContact O-N 3.48Å; K245-K247 VanDerWaalsContact O-N 3.14Å; K245-N248 WeakPolarHBondContact O-CB 3.39Å; K245-N248 PolarHBondContact O-N 3.18Å | ||
| 246 | P | 93.3 | Very high | 92.2 | Very high | 89 Ų | 89 | 62 Ų | 62 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -55.8 | -35.2 | -176.8 | -28.6 | 36.2 | 0 | 0 | 0 | 114.2 | F244 N248 W249 | F244-P246 WeakPolarHBondContact O-CD 3.22Å; P246-N248 PolarHBondContact O-N 2.96Å; P246-W249 VanDerWaalsContact O-CB 3.3Å; P246-W249 WeakPolarHBondContact O-CB 3.45Å; P246-W249 PolarHBondContact O-N 3.21Å |
| 247 | K | 94.4 | Very high | 92.5 | Very high | 165 Ų | 165 | 66.4 Ų | 66.4 | 72% | 0.717 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -58 | -21.9 | 176 | 65.7 | 171.5 | -171.3 | 174 | 0 | 114.8 | K245 | K245-K247 HydrophobicContact CB-CG 4.21Å; K245-K247 PolarHBondContact O-N 3.48Å; K245-K247 VanDerWaalsContact O-N 3.14Å |
| 248 | N | 94.9 | Very high | 92.9 | Very high | 24 Ų | 24 | 66 Ų | 66 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -91.3 | -9.5 | -179.2 | -65.6 | -13.3 | 0 | 0 | 0 | 112.3 | F242 K245 P246 P250 F251 I252 | F242-N248 HydrophobicContact CD1-CB 4.2Å; F242-N248 VanDerWaalsContact CD2-ND2 3.26Å; F242-N248 WeakPolarHBondContact CD2-ND2 3.48Å; F242-N248 HydrophobicContact CE1-CB 3.8Å; F242-N248 HydrophobicContact CE2-CB 4.4Å; F242-N248 WeakPolarHBondContact CE2-ND2 3.41Å; F242-N248 WeakPolarHBondContact CG-ND2 3.41Å; F242-N248 HydrophobicContact CZ-CB 3.91Å; F242-N248 PolarHBondContact O-ND2 3.35Å; K245-N248 WeakPolarHBondContact O-CB 3.39Å; K245-N248 PolarHBondContact O-N 3.18Å; P246-N248 PolarHBondContact O-N 2.96Å; N248-P250 VanDerWaalsContact C-CD 3.5Å; N248-F251 PolarHBondContact O-N 3.28Å; N248-I252 HydrophobicContact CB-CD1 4.25Å; N248-I252 WeakPolarHBondContact O-CG1 3.44Å; N248-I252 PolarHBondContact O-N 3.18Å |
| 249 | W | 94.3 | Very high | 93.3 | Very high | 157 Ų | 157 | 64.4 Ų | 64.4 | 60% | 0.595 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.9 | -37.6 | -176.2 | -68.7 | 3.3 | 0 | 0 | 0 | 114.5 | Q243 P246 F251 I252 D253 | Q243-W249 PolarHBondContact O-NE1 2.8Å; P246-W249 VanDerWaalsContact O-CB 3.3Å; P246-W249 WeakPolarHBondContact O-CB 3.45Å; P246-W249 PolarHBondContact O-N 3.21Å; W249-F251 PolarHBondContact O-N 2.93Å; W249-I252 PolarHBondContact O-N 3.3Å; W249-D253 PolarHBondContact O-N 3.36Å |
| 250 | P | 96.8 | Very high | 93.7 | Very high | 96 Ų | 96 | 68.5 Ų | 68.5 | 62% | 0.623 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.8 | -45.2 | 174.7 | -25.6 | 35.8 | 0 | 0 | 0 | 112.7 | N248 D253 E254 | N248-P250 VanDerWaalsContact C-CD 3.5Å; P250-D253 PolarHBondContact O-N 3.13Å; P250-E254 PolarHBondContact O-N 3.28Å |
| 251 | F | 95.8 | Very high | 94.2 | Very high | 47 Ų | 47 | 70.6 Ų | 70.6 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 176.1 | 175 | -100.8 | 0 | 0 | 0 | 111.7 | T228 K231 Y235 F242 N248 W249 D253 E254 V255 | T228-F251 HydrophobicContact CG2-CE2 4.44Å; K231-F251 HydrophobicContact CB-CZ 4.01Å; Y235-F251 AromaticContact CD2-CE1 3.6Å; Y235-F251 HydrophobicContact CD2-CE1 3.6Å; Y235-F251 AromaticContact CD2-CZ 3.93Å; Y235-F251 HydrophobicContact CD2-CZ 3.93Å; Y235-F251 HydrophobicContact CE2-CE1 4.06Å; Y235-F251 HydrophobicContact CE2-CZ 4.07Å; F242-F251 AromaticContact CE1-CD1 3.74Å; F242-F251 HydrophobicContact CE1-CD1 3.74Å; F242-F251 HydrophobicContact CE1-CE1 4.13Å; F242-F251 AromaticContact CZ-CD1 3.64Å; F242-F251 HydrophobicContact CZ-CD1 3.64Å; F242-F251 HydrophobicContact CZ-CE1 4.01Å; N248-F251 PolarHBondContact O-N 3.28Å; W249-F251 PolarHBondContact O-N 2.93Å; F251-D253 VanDerWaalsContact C-N 3.32Å; F251-D253 PolarHBondContact O-N 3.39Å; F251-E254 WeakPolarHBondContact O-CB 3.13Å; F251-E254 PolarHBondContact O-N 3.11Å; F251-V255 HydrophobicContact CD1-CG2 4.17Å; F251-V255 HydrophobicContact CE1-CG2 3.69Å; F251-V255 HydrophobicContact CE2-CG2 4.09Å; F251-V255 HydrophobicContact CZ-CG2 3.64Å; F251-V255 VanDerWaalsContact O-CG2 3.31Å; F251-V255 WeakPolarHBondContact O-CG2 3.32Å; F251-V255 PolarHBondContact O-N 3.04Å |
| 252 | I | 95.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 175 | -69.3 | 165.1 | 0 | 0 | 0 | 110.7 | F128 F242 Q243 N248 W249 E254 V255 R256 | F128-I252 HydrophobicContact CB-CG2 3.61Å; F128-I252 HydrophobicContact CD1-CD1 4.34Å; F128-I252 HydrophobicContact CD1-CG1 4.08Å; F128-I252 HydrophobicContact CD1-CG2 4.36Å; F128-I252 HydrophobicContact CD2-CB 4.47Å; F128-I252 HydrophobicContact CD2-CG1 4.17Å; F128-I252 HydrophobicContact CD2-CG2 4.16Å; F128-I252 HydrophobicContact CE1-CD1 4.44Å; F128-I252 HydrophobicContact CE1-CG1 4.15Å; F128-I252 HydrophobicContact CE2-CG1 4.23Å; F128-I252 HydrophobicContact CG-CB 4.44Å; F128-I252 HydrophobicContact CG-CG1 4.1Å; F128-I252 HydrophobicContact CG-CG2 3.8Å; F128-I252 HydrophobicContact CZ-CG1 4.22Å; F242-I252 HydrophobicContact CD1-CD1 4.27Å; F242-I252 HydrophobicContact CD1-CG1 4.35Å; F242-I252 HydrophobicContact CE1-CD1 4.3Å; F242-I252 HydrophobicContact CE1-CG1 4Å; Q243-I252 HydrophobicContact CB-CD1 4.19Å; N248-I252 HydrophobicContact CB-CD1 4.25Å; N248-I252 WeakPolarHBondContact O-CG1 3.44Å; N248-I252 PolarHBondContact O-N 3.18Å; W249-I252 PolarHBondContact O-N 3.3Å; I252-E254 VanDerWaalsContact C-N 3.35Å; I252-V255 PolarHBondContact O-N 3.11Å; I252-R256 HydrophobicContact CG2-CG 4.44Å; I252-R256 VanDerWaalsContact O-CG 3.25Å; I252-R256 WeakPolarHBondContact O-CG 3.46Å; I252-R256 PolarHBondContact O-N 3.13Å |
| 253 | D | 96.4 | Very high | 94.5 | Very high | 60 Ų | 60 | 67.9 Ų | 67.9 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 176.2 | -175.1 | 59.6 | 0 | 0 | 0 | 112.2 | W249 P250 F251 V255 R256 K257 | W249-D253 PolarHBondContact O-N 3.36Å; P250-D253 PolarHBondContact O-N 3.13Å; F251-D253 VanDerWaalsContact C-N 3.32Å; F251-D253 PolarHBondContact O-N 3.39Å; D253-V255 PolarHBondContact O-N 3.35Å; D253-R256 PolarHBondContact O-N 3.01Å; D253-K257 WeakPolarHBondContact O-CG 3.42Å; D253-K257 PolarHBondContact O-N 3.11Å; D253-K257 WeakPolarHBondContact OD2-CE 3.42Å; D253-K257 IonicContact OD2-NZ 3.67Å; D253-K257 PolarHBondContact OD2-NZ 3.46Å |
| 254 | E | 96.6 | Very high | 94.6 | Very high | 85 Ų | 85 | 68.3 Ų | 68.3 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 172.3 | -165.7 | -164.5 | 150.6 | 0 | 0 | 111.5 | T228 P250 F251 I252 R256 K257 A258 | T228-E254 HydrophobicContact CG2-CG 4.05Å; T228-E254 PolarHBondContact OG1-OE1 3.24Å; T228-E254 VanDerWaalsContact OG1-OE1 3.11Å; P250-E254 PolarHBondContact O-N 3.28Å; F251-E254 WeakPolarHBondContact O-CB 3.13Å; F251-E254 PolarHBondContact O-N 3.11Å; I252-E254 VanDerWaalsContact C-N 3.35Å; E254-R256 VanDerWaalsContact C-N 3.34Å; E254-R256 PolarHBondContact O-N 3.09Å; E254-K257 WeakPolarHBondContact O-CB 3.49Å; E254-K257 PolarHBondContact O-N 2.95Å; E254-A258 WeakPolarHBondContact O-CB 3.5Å; E254-A258 PolarHBondContact O-N 3.43Å |
| 255 | V | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | L127 F128 T228 F251 I252 D253 K257 A258 C259 | L127-V255 HydrophobicContact CD2-CG1 3.29Å; L127-V255 HydrophobicContact CG-CG1 3.59Å; F128-V255 HydrophobicContact CD2-CB 4.03Å; F128-V255 HydrophobicContact CD2-CG1 3.74Å; F128-V255 HydrophobicContact CD2-CG2 4.46Å; F128-V255 HydrophobicContact CE2-CB 4.27Å; F128-V255 HydrophobicContact CE2-CG1 4.06Å; F128-V255 HydrophobicContact CE2-CG2 4.19Å; T228-V255 HydrophobicContact CG2-CB 4.39Å; T228-V255 HydrophobicContact CG2-CG2 3.7Å; F251-V255 HydrophobicContact CD1-CG2 4.17Å; F251-V255 HydrophobicContact CE1-CG2 3.69Å; F251-V255 HydrophobicContact CE2-CG2 4.09Å; F251-V255 HydrophobicContact CZ-CG2 3.64Å; F251-V255 VanDerWaalsContact O-CG2 3.31Å; F251-V255 WeakPolarHBondContact O-CG2 3.32Å; F251-V255 PolarHBondContact O-N 3.04Å; I252-V255 PolarHBondContact O-N 3.11Å; D253-V255 PolarHBondContact O-N 3.35Å; V255-K257 VanDerWaalsContact C-N 3.34Å; V255-K257 PolarHBondContact O-N 2.96Å; V255-A258 WeakPolarHBondContact O-CB 3.33Å; V255-A258 PolarHBondContact O-N 3.5Å; V255-C259 PolarHBondContact O-N 3.18Å; V255-C259 PolarHBondContact O-SG 3.18Å |
| 256 | R | 96.3 | Very high | 94.7 | Very high | 90 Ų | 90 | 60.3 Ų | 60.3 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 177.2 | -69.1 | -178.8 | 175.6 | 156.5 | -1.8 | 112.1 | F128 Q130 I252 D253 E254 C259 R260 | F128-R256 VanDerWaalsContact O-CZ 3.29Å; F128-R256 PolarHBondContact O-NE 3.37Å; F128-R256 PolarHBondContact O-NH2 3.36Å; Q130-R256 HydrophobicContact CG-CB 3.72Å; Q130-R256 HydrophobicContact CG-CG 3.47Å; Q130-R256 VanDerWaalsContact CG-CG 3.47Å; I252-R256 HydrophobicContact CG2-CG 4.44Å; I252-R256 VanDerWaalsContact O-CG 3.25Å; I252-R256 WeakPolarHBondContact O-CG 3.46Å; I252-R256 PolarHBondContact O-N 3.13Å; D253-R256 PolarHBondContact O-N 3.01Å; E254-R256 VanDerWaalsContact C-N 3.34Å; E254-R256 PolarHBondContact O-N 3.09Å; R256-C259 PolarHBondContact O-N 3.35Å; R256-R260 WeakPolarHBondContact O-CG 3.43Å; R256-R260 PolarHBondContact O-N 3.05Å |
| 257 | K | 96.4 | Very high | 94.6 | Very high | 119 Ų | 119 | 57.4 Ų | 57.4 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 174 | -74.7 | 167.2 | 172.2 | 159.6 | 0 | 111.2 | D253 E254 V255 R260 L261 | D253-K257 WeakPolarHBondContact O-CG 3.42Å; D253-K257 PolarHBondContact O-N 3.11Å; D253-K257 WeakPolarHBondContact OD2-CE 3.42Å; D253-K257 IonicContact OD2-NZ 3.67Å; D253-K257 PolarHBondContact OD2-NZ 3.46Å; E254-K257 WeakPolarHBondContact O-CB 3.49Å; E254-K257 PolarHBondContact O-N 2.95Å; V255-K257 VanDerWaalsContact C-N 3.34Å; V255-K257 PolarHBondContact O-N 2.96Å; K257-R260 PolarHBondContact O-N 2.92Å; K257-L261 PolarHBondContact O-N 3.42Å |
| 258 | A | 95 | Very high | 94.4 | Very high | 8 Ų | 8 | 53 Ų | 53 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A225 T228 E254 V255 R260 L261 L262 | A225-A258 HydrophobicContact CB-CB 3.89Å; T228-A258 HydrophobicContact CG2-CB 4.25Å; E254-A258 WeakPolarHBondContact O-CB 3.5Å; E254-A258 PolarHBondContact O-N 3.43Å; V255-A258 WeakPolarHBondContact O-CB 3.33Å; V255-A258 PolarHBondContact O-N 3.5Å; A258-R260 VanDerWaalsContact C-N 3.33Å; A258-R260 PolarHBondContact O-N 3.17Å; A258-L261 PolarHBondContact O-N 3.19Å; A258-L262 WeakPolarHBondContact O-CG 3.35Å; A258-L262 PolarHBondContact O-N 3.16Å |
| 259 | C | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 174.5 | -65 | 0 | 0 | 0 | 0 | 112 | Q130 F132 V255 R256 L262 R263 | Q130-C259 HydrophobicContact CB-CB 4.36Å; F132-C259 HydrophobicContact CD2-CB 4.19Å; F132-C259 VanDerWaalsContact CD2-SG 3.54Å; V255-C259 PolarHBondContact O-N 3.18Å; V255-C259 PolarHBondContact O-SG 3.18Å; R256-C259 PolarHBondContact O-N 3.35Å; C259-L262 PolarHBondContact O-N 3.3Å; C259-R263 WeakPolarHBondContact O-CB 3.42Å; C259-R263 WeakPolarHBondContact O-CG 3.08Å; C259-R263 PolarHBondContact O-N 3.11Å; C259-R263 VanDerWaalsContact O-N 3.1Å |
| 260 | R | 95.2 | Very high | 93.9 | Very high | 104 Ų | 104 | 47.4 Ų | 47.4 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 178 | -75.2 | -172.5 | -68.7 | -100.8 | 5.2 | 111.6 | R256 K257 A258 L262 R263 T264 | R256-R260 WeakPolarHBondContact O-CG 3.43Å; R256-R260 PolarHBondContact O-N 3.05Å; K257-R260 PolarHBondContact O-N 2.92Å; A258-R260 VanDerWaalsContact C-N 3.33Å; A258-R260 PolarHBondContact O-N 3.17Å; R260-L262 PolarHBondContact O-N 3.42Å; R260-R263 PolarHBondContact O-N 3.09Å; R260-T264 WeakPolarHBondContact O-CB 3.49Å; R260-T264 PolarHBondContact O-N 2.93Å; R260-T264 PolarHBondContact O-OG1 3.06Å |
| 261 | L | 94.1 | Very high | 93.6 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 32% | 0.319 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56 | -54.2 | 177.1 | 177.7 | 64.7 | 0 | 0 | 0 | 111.3 | P221 A225 K257 A258 R263 T264 T265 | P221-L261 HydrophobicContact CB-CD2 3.94Å; P221-L261 HydrophobicContact CG-CD2 4.12Å; A225-L261 HydrophobicContact CB-CD2 3.99Å; K257-L261 PolarHBondContact O-N 3.42Å; A258-L261 PolarHBondContact O-N 3.19Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 2.91Å; L261-T264 PolarHBondContact O-N 3.42Å; L261-T265 WeakPolarHBondContact O-CB 3.27Å; L261-T265 PolarHBondContact O-N 2.88Å; L261-T265 PolarHBondContact O-OG1 3.34Å; L261-T265 VanDerWaalsContact O-OG1 3.05Å |
| 262 | L | 92.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -41.6 | -178.4 | -65.1 | 174.8 | 0 | 0 | 0 | 111.9 | F132 F222 A225 I226 A258 C259 R260 G266 V314 I318 | F132-L262 HydrophobicContact CE2-CD1 3.98Å; F222-L262 HydrophobicContact CD1-CD2 4.41Å; F222-L262 HydrophobicContact CD2-CD2 3.61Å; F222-L262 HydrophobicContact CE1-CD2 4.16Å; F222-L262 HydrophobicContact CE2-CD2 3.32Å; F222-L262 HydrophobicContact CG-CD2 4.15Å; F222-L262 HydrophobicContact CZ-CD2 3.63Å; A225-L262 HydrophobicContact CB-CD1 4.49Å; A225-L262 HydrophobicContact CB-CD2 4.05Å; A225-L262 HydrophobicContact CB-CG 4.12Å; I226-L262 HydrophobicContact CG1-CD1 4.26Å; I226-L262 HydrophobicContact CG1-CD2 3.97Å; A258-L262 WeakPolarHBondContact O-CG 3.35Å; A258-L262 PolarHBondContact O-N 3.16Å; C259-L262 PolarHBondContact O-N 3.3Å; R260-L262 PolarHBondContact O-N 3.42Å; L262-G266 PolarHBondContact O-N 3.02Å; L262-V314 HydrophobicContact CB-CG1 4.48Å; L262-V314 HydrophobicContact CD1-CG1 4.49Å; L262-I318 HydrophobicContact CD1-CD1 4.31Å |
| 263 | R | 93.4 | Very high | 93 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.2 | -41.8 | -180 | -70.3 | -177.1 | 65.6 | 85.1 | 8.9 | 113 | R131 F132 C259 R260 L261 T265 G266 A267 E307 L310 D311 V314 | R131-R263 WeakPolarHBondContact O-CD 3.39Å; F132-R263 PolarHBondContact O-NH1 3.33Å; C259-R263 WeakPolarHBondContact O-CB 3.42Å; C259-R263 WeakPolarHBondContact O-CG 3.08Å; C259-R263 PolarHBondContact O-N 3.11Å; C259-R263 VanDerWaalsContact O-N 3.1Å; R260-R263 PolarHBondContact O-N 3.09Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 2.91Å; R263-T265 VanDerWaalsContact C-N 3.34Å; R263-G266 PolarHBondContact O-N 3.5Å; R263-A267 WeakPolarHBondContact O-CB 3.48Å; R263-A267 PolarHBondContact O-N 3.2Å; R263-E307 IonicContact CZ-OE1 3.64Å; R263-E307 IonicContact NH1-OE1 2.72Å; R263-E307 IonicContact NH2-OE1 3.15Å; R263-E307 PolarHBondContact NH2-OE1 3.47Å; R263-E307 IonicContact NH2-OE2 3.51Å; R263-L310 VanDerWaalsContact NH2-CD2 3.35Å; R263-L310 WeakPolarHBondContact O-CD1 3.42Å; R263-D311 IonicContact CZ-OD1 3.78Å; R263-D311 IonicContact NH1-OD1 3.88Å; R263-D311 PolarHBondContact NH1-OD1 3.47Å; R263-D311 IonicContact NH2-OD1 2.8Å; R263-V314 HydrophobicContact CG-CG2 3.81Å |
| 264 | T | 93.7 | Very high | 92.5 | Very high | 95 Ų | 95 | 52.8 Ų | 52.8 | 58% | 0.583 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.5 | -41.3 | 176.7 | -60.6 | 0 | 0 | 0 | 0 | 111 | R260 L261 A267 Q268 | R260-T264 WeakPolarHBondContact O-CB 3.49Å; R260-T264 PolarHBondContact O-N 2.93Å; R260-T264 PolarHBondContact O-OG1 3.06Å; L261-T264 PolarHBondContact O-N 3.42Å; T264-A267 PolarHBondContact O-N 3.18Å; T264-Q268 WeakPolarHBondContact O-CB 3.16Å; T264-Q268 PolarHBondContact O-N 2.81Å |
| 265 | T | 91.9 | Very high | 92.1 | Very high | 30 Ų | 30 | 52 Ų | 52 | 18% | 0.184 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 173.9 | -60 | 0 | 0 | 0 | 0 | 111.6 | F222 L261 R263 A267 Q268 W269 | F222-T265 HydrophobicContact CE2-CG2 4.12Å; L261-T265 WeakPolarHBondContact O-CB 3.27Å; L261-T265 PolarHBondContact O-N 2.88Å; L261-T265 PolarHBondContact O-OG1 3.34Å; L261-T265 VanDerWaalsContact O-OG1 3.05Å; R263-T265 VanDerWaalsContact C-N 3.34Å; T265-A267 PolarHBondContact O-N 3.05Å; T265-Q268 WeakPolarHBondContact O-CB 3.21Å; T265-Q268 PolarHBondContact O-N 3.29Å; T265-W269 HydrophobicContact CG2-CD2 4.2Å; T265-W269 VanDerWaalsContact CG2-CE2 3.49Å; T265-W269 HydrophobicContact CG2-CH2 4.47Å; T265-W269 HydrophobicContact CG2-CZ2 3.63Å; T265-W269 PolarHBondContact O-N 2.77Å |
| 266 | G | 90.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L262 R263 Q268 W269 I270 | L262-G266 PolarHBondContact O-N 3.02Å; R263-G266 PolarHBondContact O-N 3.5Å; G266-Q268 PolarHBondContact O-N 3.02Å; G266-W269 PolarHBondContact O-N 3.26Å; G266-I270 WeakPolarHBondContact O-CB 3.25Å; G266-I270 WeakPolarHBondContact O-CD1 3.05Å; G266-I270 VanDerWaalsContact O-CG1 3.25Å; G266-I270 WeakPolarHBondContact O-CG1 3.31Å; G266-I270 PolarHBondContact O-N 2.89Å |
| 267 | A | 91.4 | Very high | 91.3 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 24% | 0.24 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -36.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R263 T264 T265 R271 L310 | R263-A267 WeakPolarHBondContact O-CB 3.48Å; R263-A267 PolarHBondContact O-N 3.2Å; T264-A267 PolarHBondContact O-N 3.18Å; T265-A267 PolarHBondContact O-N 3.05Å; A267-R271 WeakPolarHBondContact O-CB 3.41Å; A267-R271 WeakPolarHBondContact O-CG 3.48Å; A267-R271 PolarHBondContact O-N 3.2Å; A267-R271 VanDerWaalsContact O-N 3.12Å; A267-R271 PolarHBondContact O-NE 3.25Å; A267-L310 HydrophobicContact CB-CD1 4.29Å; A267-L310 HydrophobicContact CB-CD2 4.19Å |
| 268 | Q | 91.4 | Very high | 90.8 | Very high | 73 Ų | 73 | 52 Ų | 52 | 34% | 0.341 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64 | -52.5 | 174.9 | -171.8 | 58.1 | 38.3 | 0 | 0 | 111.4 | T264 T265 G266 I270 R271 D272 | T264-Q268 WeakPolarHBondContact O-CB 3.16Å; T264-Q268 PolarHBondContact O-N 2.81Å; T265-Q268 WeakPolarHBondContact O-CB 3.21Å; T265-Q268 PolarHBondContact O-N 3.29Å; G266-Q268 PolarHBondContact O-N 3.02Å; Q268-I270 VanDerWaalsContact C-N 3.35Å; Q268-I270 PolarHBondContact O-N 2.99Å; Q268-R271 PolarHBondContact O-N 2.83Å; Q268-R271 VanDerWaalsContact O-N 3.17Å; Q268-D272 WeakPolarHBondContact CG-OD2 3.47Å; Q268-D272 PolarHBondContact NE2-OD1 3.42Å; Q268-D272 PolarHBondContact NE2-OD2 3.02Å; Q268-D272 VanDerWaalsContact O-CG 3.23Å; Q268-D272 PolarHBondContact O-N 3.32Å |
| 269 | W | 90.1 | Very high | 90.5 | Very high | 43 Ų | 43 | 57 Ų | 57 | 16% | 0.163 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | -176.8 | -64 | 2.2 | 0 | 0 | 0 | 113 | F209 V211 L213 T265 G266 R273 F313 F317 | F209-W269 HydrophobicContact CB-CE3 3.64Å; F209-W269 HydrophobicContact CB-CZ3 3.85Å; F209-W269 HydrophobicContact CD1-CE3 4.48Å; F209-W269 HydrophobicContact CD2-CE3 4.36Å; F209-W269 HydrophobicContact CD2-CZ3 4.08Å; F209-W269 AromaticContact CG-CE3 3.91Å; F209-W269 HydrophobicContact CG-CE3 3.91Å; F209-W269 HydrophobicContact CG-CZ3 4.06Å; V211-W269 HydrophobicContact CB-CE3 4.22Å; V211-W269 HydrophobicContact CB-CH2 3.79Å; V211-W269 HydrophobicContact CB-CZ2 4.13Å; V211-W269 HydrophobicContact CB-CZ3 3.81Å; V211-W269 HydrophobicContact CG1-CH2 3.65Å; V211-W269 HydrophobicContact CG1-CZ2 3.63Å; V211-W269 HydrophobicContact CG1-CZ3 4.21Å; V211-W269 HydrophobicContact CG2-CD2 3.71Å; V211-W269 HydrophobicContact CG2-CE3 3.55Å; V211-W269 HydrophobicContact CG2-CG 4.39Å; V211-W269 HydrophobicContact CG2-CH2 3.96Å; V211-W269 HydrophobicContact CG2-CZ2 4.05Å; V211-W269 HydrophobicContact CG2-CZ3 3.69Å; L213-W269 HydrophobicContact CD2-CH2 4.06Å; L213-W269 HydrophobicContact CD2-CZ2 4.17Å; T265-W269 HydrophobicContact CG2-CD2 4.2Å; T265-W269 VanDerWaalsContact CG2-CE2 3.49Å; T265-W269 HydrophobicContact CG2-CH2 4.47Å; T265-W269 HydrophobicContact CG2-CZ2 3.63Å; T265-W269 PolarHBondContact O-N 2.77Å; G266-W269 PolarHBondContact O-N 3.26Å; W269-R273 WeakPolarHBondContact O-CB 3.33Å; W269-R273 PolarHBondContact O-N 2.73Å; W269-F313 HydrophobicContact CB-CE2 4.34Å; W269-F313 HydrophobicContact CD2-CE2 4.12Å; W269-F313 HydrophobicContact CD2-CZ 4.09Å; W269-F313 AromaticContact CE3-CE2 3.45Å; W269-F313 HydrophobicContact CE3-CE2 3.45Å; W269-F313 VanDerWaalsContact CE3-CE2 3.45Å; W269-F313 AromaticContact CE3-CZ 3.6Å; W269-F313 HydrophobicContact CE3-CZ 3.6Å; W269-F313 HydrophobicContact CZ3-CE2 4.04Å; W269-F313 AromaticContact CZ3-CZ 3.9Å; W269-F313 HydrophobicContact CZ3-CZ 3.9Å; W269-F317 HydrophobicContact CH2-CZ 4.42Å; W269-F317 HydrophobicContact CZ3-CE2 4.38Å; W269-F317 AromaticContact CZ3-CZ 3.9Å; W269-F317 HydrophobicContact CZ3-CZ 3.9Å |
| 270 | I | 88.8 | Confident | 90.1 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.5 | -66.9 | 165.9 | 0 | 0 | 0 | 110.3 | G266 Q268 R273 R274 L288 M309 L310 F313 | G266-I270 WeakPolarHBondContact O-CB 3.25Å; G266-I270 WeakPolarHBondContact O-CD1 3.05Å; G266-I270 VanDerWaalsContact O-CG1 3.25Å; G266-I270 WeakPolarHBondContact O-CG1 3.31Å; G266-I270 PolarHBondContact O-N 2.89Å; Q268-I270 VanDerWaalsContact C-N 3.35Å; Q268-I270 PolarHBondContact O-N 2.99Å; I270-R273 PolarHBondContact O-N 2.63Å; I270-R274 WeakPolarHBondContact O-CB 3.48Å; I270-R274 PolarHBondContact O-N 2.48Å; I270-L288 HydrophobicContact CG1-CD1 4.17Å; I270-M309 HydrophobicContact CD1-CB 4.23Å; I270-M309 HydrophobicContact CG2-CE 3.98Å; I270-L310 HydrophobicContact CD1-CB 4.32Å; I270-L310 HydrophobicContact CD1-CD1 4.34Å; I270-F313 HydrophobicContact CD1-CB 4.17Å |
| 271 | R | 89.4 | Confident | 89.7 | Confident | 141 Ų | 141 | 59.4 Ų | 59.4 | 53% | 0.532 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 178.6 | -76.1 | -175.7 | -58.5 | 170.7 | 5.1 | 112.4 | A267 Q268 R274 T275 | A267-R271 WeakPolarHBondContact O-CB 3.41Å; A267-R271 WeakPolarHBondContact O-CG 3.48Å; A267-R271 PolarHBondContact O-N 3.2Å; A267-R271 VanDerWaalsContact O-N 3.12Å; A267-R271 PolarHBondContact O-NE 3.25Å; Q268-R271 PolarHBondContact O-N 2.83Å; Q268-R271 VanDerWaalsContact O-N 3.17Å; R271-R274 PolarHBondContact O-N 3.29Å; R271-T275 WeakPolarHBondContact O-CB 3.37Å; R271-T275 PolarHBondContact O-N 3.05Å; R271-T275 PolarHBondContact O-OG1 3.12Å |
| 272 | D | 89.8 | Confident | 89.2 | Confident | 81 Ų | 81 | 64.3 Ų | 64.3 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 179.2 | -67.4 | -21.5 | 0 | 0 | 0 | 110.6 | Q268 R274 T275 A276 | Q268-D272 WeakPolarHBondContact CG-OD2 3.47Å; Q268-D272 PolarHBondContact NE2-OD1 3.42Å; Q268-D272 PolarHBondContact NE2-OD2 3.02Å; Q268-D272 VanDerWaalsContact O-CG 3.23Å; Q268-D272 PolarHBondContact O-N 3.32Å; D272-R274 PolarHBondContact O-N 3.03Å; D272-T275 PolarHBondContact O-N 2.82Å; D272-A276 PolarHBondContact O-N 2.94Å |
| 273 | R | 89.3 | Confident | 88.8 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 10% | 0.102 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 177.2 | -175.7 | 55.6 | 58 | 111.8 | 13.4 | 112 | F209 W269 I270 A276 M277 P284 D286 L288 T289 I292 | F209-R273 PolarHBondContact O-NH2 2.86Å; W269-R273 WeakPolarHBondContact O-CB 3.33Å; W269-R273 PolarHBondContact O-N 2.73Å; I270-R273 PolarHBondContact O-N 2.63Å; R273-A276 PolarHBondContact O-N 2.76Å; R273-M277 HydrophobicContact CG-SD 4.27Å; R273-M277 VanDerWaalsContact O-CG 3.31Å; R273-M277 WeakPolarHBondContact O-CG 3.11Å; R273-M277 PolarHBondContact O-N 3.01Å; R273-P284 PolarHBondContact NH1-O 3.39Å; R273-P284 VanDerWaalsContact NH1-O 3.11Å; R273-D286 IonicContact CZ-OD1 3.04Å; R273-D286 IonicContact CZ-OD2 3.36Å; R273-D286 VanDerWaalsContact NH1-CG 3.26Å; R273-D286 IonicContact NH1-OD1 3.86Å; R273-D286 PolarHBondContact NH1-OD1 3.05Å; R273-D286 VanDerWaalsContact NH1-OD1 3.13Å; R273-D286 IonicContact NH1-OD2 2.79Å; R273-D286 PolarHBondContact NH1-OD2 2.74Å; R273-D286 IonicContact NH2-OD2 3.82Å; R273-D286 PolarHBondContact NH2-OD2 2.67Å; R273-L288 HydrophobicContact CB-CD2 3.86Å; R273-L288 HydrophobicContact CG-CD2 4.02Å; R273-L288 HydrophobicContact CG-CG 4.29Å; R273-T289 PolarHBondContact NH1-OG1 2.81Å; R273-I292 HydrophobicContact CB-CD1 4.12Å; R273-I292 HydrophobicContact CG-CD1 3.64Å |
| 274 | R | 85.7 | Confident | 88.2 | Confident | 73 Ų | 73 | 67 Ų | 67 | 28% | 0.275 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 179.9 | -175.1 | 175.3 | 179.4 | 176.3 | -5.4 | 111.9 | I270 R271 D272 M277 Q278 M301 E306 | I270-R274 WeakPolarHBondContact O-CB 3.48Å; I270-R274 PolarHBondContact O-N 2.48Å; R271-R274 PolarHBondContact O-N 3.29Å; D272-R274 PolarHBondContact O-N 3.03Å; R274-M277 PolarHBondContact O-N 3.15Å; R274-Q278 WeakPolarHBondContact O-CG 3.38Å; R274-Q278 PolarHBondContact O-N 2.91Å; R274-M301 VanDerWaalsContact NH1-CE 3.29Å; R274-E306 IonicContact CZ-OE1 3.72Å; R274-E306 IonicContact NH1-OE1 3.56Å; R274-E306 PolarHBondContact NH1-OE1 2.93Å; R274-E306 IonicContact NH2-OE1 2.7Å |
| 275 | T | 88.3 | Confident | 87.7 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 176.6 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | R271 D272 M277 Q278 N279 | R271-T275 WeakPolarHBondContact O-CB 3.37Å; R271-T275 PolarHBondContact O-N 3.05Å; R271-T275 PolarHBondContact O-OG1 3.12Å; D272-T275 PolarHBondContact O-N 2.82Å; T275-M277 VanDerWaalsContact C-N 3.34Å; T275-M277 PolarHBondContact O-N 3.44Å; T275-Q278 PolarHBondContact O-N 3.22Å; T275-Q278 VanDerWaalsContact O-N 3.16Å; T275-N279 VanDerWaalsContact O-CG 3.25Å; T275-N279 PolarHBondContact O-N 3.4Å; T275-N279 PolarHBondContact O-ND2 3.31Å |
| 276 | A | 88.3 | Confident | 87.3 | Confident | 24 Ų | 24 | 69.6 Ų | 69.6 | 20% | 0.198 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D272 R273 Q278 N279 G280 D281 V283 | D272-A276 PolarHBondContact O-N 2.94Å; R273-A276 PolarHBondContact O-N 2.76Å; A276-Q278 VanDerWaalsContact C-N 3.34Å; A276-Q278 PolarHBondContact O-N 3.45Å; A276-N279 PolarHBondContact O-N 3.42Å; A276-G280 PolarHBondContact O-N 3.39Å; A276-D281 WeakPolarHBondContact CA-OD2 3.34Å; A276-D281 HydrophobicContact CB-CB 4.19Å; A276-D281 WeakPolarHBondContact O-CB 3.47Å; A276-D281 PolarHBondContact O-N 3.11Å; A276-V283 HydrophobicContact CB-CG1 3.79Å |
| 277 | M | 86.9 | Confident | 87.1 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 26% | 0.256 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 176 | -71.5 | -179.6 | 66.5 | 0 | 0 | 113.2 | R273 R274 T275 G280 V283 T289 I292 K293 | R273-M277 HydrophobicContact CG-SD 4.27Å; R273-M277 VanDerWaalsContact O-CG 3.31Å; R273-M277 WeakPolarHBondContact O-CG 3.11Å; R273-M277 PolarHBondContact O-N 3.01Å; R274-M277 PolarHBondContact O-N 3.15Å; T275-M277 VanDerWaalsContact C-N 3.34Å; T275-M277 PolarHBondContact O-N 3.44Å; M277-G280 PolarHBondContact O-N 2.99Å; M277-V283 HydrophobicContact CG-CB 4.31Å; M277-V283 HydrophobicContact CG-CG1 3.76Å; M277-V283 HydrophobicContact CG-CG2 3.85Å; M277-T289 HydrophobicContact CE-CG2 4.46Å; M277-T289 HydrophobicContact SD-CG2 4.24Å; M277-I292 HydrophobicContact CE-CB 4.37Å; M277-I292 HydrophobicContact CE-CG2 3.8Å; M277-I292 HydrophobicContact SD-CB 4.03Å; M277-I292 HydrophobicContact SD-CD1 4.15Å; M277-I292 HydrophobicContact SD-CG2 3.64Å; M277-K293 HydrophobicContact CE-CG 3.67Å |
| 278 | Q | 86.3 | Confident | 86.9 | Confident | 133 Ų | 133 | 68.6 Ų | 68.6 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -71.4 | -34.5 | 178.3 | -74.8 | 173.9 | -18.5 | 0 | 0 | 112.3 | R274 T275 A276 G280 | R274-Q278 WeakPolarHBondContact O-CG 3.38Å; R274-Q278 PolarHBondContact O-N 2.91Å; T275-Q278 PolarHBondContact O-N 3.22Å; T275-Q278 VanDerWaalsContact O-N 3.16Å; A276-Q278 VanDerWaalsContact C-N 3.34Å; A276-Q278 PolarHBondContact O-N 3.45Å; Q278-G280 PolarHBondContact O-N 3.24Å |
| 279 | N | 89.8 | Confident | 86.6 | Confident | 112 Ų | 112 | 65.2 Ų | 65.2 | 60% | 0.599 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -73.5 | -10.5 | 176 | -67.3 | -14.1 | 0 | 0 | 0 | 113.1 | T275 A276 D281 | T275-N279 VanDerWaalsContact O-CG 3.25Å; T275-N279 PolarHBondContact O-N 3.4Å; T275-N279 PolarHBondContact O-ND2 3.31Å; A276-N279 PolarHBondContact O-N 3.42Å; N279-D281 VanDerWaalsContact C-N 3.33Å |
| 280 | G | 84.9 | Confident | 86.4 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 18.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A276 M277 Q278 | A276-G280 PolarHBondContact O-N 3.39Å; M277-G280 PolarHBondContact O-N 2.99Å; Q278-G280 PolarHBondContact O-N 3.24Å |
| 281 | D | 86.9 | Confident | 86.2 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 47% | 0.471 | 34% | 0.341 | S | S | . | . | trans | -67.1 | 152.9 | 177 | -60.4 | -37.5 | 0 | 0 | 0 | 110.7 | A276 N279 V283 | A276-D281 WeakPolarHBondContact CA-OD2 3.34Å; A276-D281 HydrophobicContact CB-CB 4.19Å; A276-D281 WeakPolarHBondContact O-CB 3.47Å; A276-D281 PolarHBondContact O-N 3.11Å; N279-D281 VanDerWaalsContact C-N 3.33Å; D281-V283 PolarHBondContact O-N 2.82Å; D281-V283 VanDerWaalsContact O-N 3.13Å | ||
| 282 | D | 83.4 | Confident | 86 | Confident | 164 Ų | 164 | 59.1 Ų | 59.1 | 88% | 0.877 | 32% | 0.319 | S | S | * | . | trans | -69.5 | 110.5 | 171.6 | -172.2 | 32.3 | 0 | 0 | 0 | 109.6 | ||||
| 283 | V | 84.1 | Confident | 85.7 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | trans | -101.8 | 140.2 | -178.5 | -67.5 | 0 | 0 | 0 | 0 | 111.5 | A276 M277 D281 K285 T289 | A276-V283 HydrophobicContact CB-CG1 3.79Å; M277-V283 HydrophobicContact CG-CB 4.31Å; M277-V283 HydrophobicContact CG-CG1 3.76Å; M277-V283 HydrophobicContact CG-CG2 3.85Å; D281-V283 PolarHBondContact O-N 2.82Å; D281-V283 VanDerWaalsContact O-N 3.13Å; V283-K285 PolarHBondContact O-N 3.34Å; V283-T289 HydrophobicContact CG2-CG2 3.74Å | ||
| 284 | P | 80.8 | Confident | 85.4 | Confident | 65 Ų | 65 | 60 Ų | 60 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | trans | -52.3 | 139.6 | 176.1 | -24.6 | 27.1 | 0 | 0 | 0 | 112.9 | R273 D286 T289 | R273-P284 PolarHBondContact NH1-O 3.39Å; R273-P284 VanDerWaalsContact NH1-O 3.11Å; P284-D286 PolarHBondContact O-N 3.39Å; P284-T289 WeakPolarHBondContact O-CB 3.24Å; P284-T289 PolarHBondContact O-OG1 3.18Å | ||
| 285 | K | 82.5 | Confident | 85.2 | Confident | 176 Ų | 176 | 57 Ų | 57 | 77% | 0.765 | 31% | 0.312 | S | S | * | . | trans | -78.9 | 68.5 | 174.1 | -64.5 | 177.4 | -176.3 | 171.6 | 0 | 110.3 | Y161 L165 V283 | Y161-K285 VanDerWaalsContact OH-C 3.26Å; Y161-K285 PolarHBondContact OH-O 2.87Å; L165-K285 WeakPolarHBondContact CD2-O 3.2Å; V283-K285 PolarHBondContact O-N 3.34Å | ||
| 286 | D | 85.1 | Confident | 84.7 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -110.4 | 170.5 | 179.2 | 56.7 | 31.7 | 0 | 0 | 0 | 113.1 | Y161 V207 F209 G210 R273 P284 L288 T289 Q290 | Y161-D286 VanDerWaalsContact OH-C 3.25Å; Y161-D286 PolarHBondContact OH-N 3.22Å; Y161-D286 PolarHBondContact OH-O 2.96Å; V207-D286 WeakPolarHBondContact O-CB 3.25Å; F209-D286 VanDerWaalsContact C-OD2 3.29Å; G210-D286 WeakPolarHBondContact CA-OD2 3.44Å; G210-D286 PolarHBondContact N-OD2 3.21Å; R273-D286 IonicContact CZ-OD1 3.04Å; R273-D286 IonicContact CZ-OD2 3.36Å; R273-D286 VanDerWaalsContact NH1-CG 3.26Å; R273-D286 IonicContact NH1-OD1 3.86Å; R273-D286 PolarHBondContact NH1-OD1 3.05Å; R273-D286 VanDerWaalsContact NH1-OD1 3.13Å; R273-D286 IonicContact NH1-OD2 2.79Å; R273-D286 PolarHBondContact NH1-OD2 2.74Å; R273-D286 IonicContact NH2-OD2 3.82Å; R273-D286 PolarHBondContact NH2-OD2 2.67Å; P284-D286 PolarHBondContact O-N 3.39Å; D286-L288 VanDerWaalsContact C-N 3.28Å; D286-L288 PolarHBondContact O-N 3.11Å; D286-T289 PolarHBondContact O-N 3.16Å; D286-T289 VanDerWaalsContact O-N 3.15Å; D286-T289 VanDerWaalsContact OD1-CB 3.24Å; D286-T289 WeakPolarHBondContact OD1-CB 3.43Å; D286-T289 PolarHBondContact OD1-N 2.72Å; D286-T289 PolarHBondContact OD1-OG1 2.72Å; D286-Q290 PolarHBondContact O-N 3.38Å |
| 287 | I | 85.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.1 | -42.2 | -178.1 | -59.1 | 178.4 | 0 | 0 | 0 | 110.8 | A156 F157 Y161 L165 V207 A208 T289 Q290 I291 F460 | A156-I287 HydrophobicContact CB-CB 4.28Å; A156-I287 HydrophobicContact CB-CG2 3.62Å; F157-I287 HydrophobicContact CD1-CD1 4.46Å; F157-I287 HydrophobicContact CD2-CG2 4.33Å; F157-I287 HydrophobicContact CE1-CD1 3.92Å; F157-I287 HydrophobicContact CE2-CD1 4.46Å; F157-I287 HydrophobicContact CE2-CG2 3.61Å; F157-I287 HydrophobicContact CZ-CD1 3.93Å; F157-I287 HydrophobicContact CZ-CG2 3.89Å; Y161-I287 HydrophobicContact CE1-CG1 4.4Å; L165-I287 HydrophobicContact CD1-CG1 4.4Å; V207-I287 HydrophobicContact CG1-CD1 4.25Å; V207-I287 PolarHBondContact O-N 2.87Å; A208-I287 HydrophobicContact CB-CB 4.18Å; A208-I287 HydrophobicContact CB-CD1 4.05Å; A208-I287 HydrophobicContact CB-CG1 4.46Å; I287-T289 PolarHBondContact O-N 3.13Å; I287-Q290 PolarHBondContact O-N 3.01Å; I287-I291 HydrophobicContact CG2-CD1 3.71Å; I287-I291 HydrophobicContact CG2-CG1 4.26Å; I287-I291 WeakPolarHBondContact O-CB 3.17Å; I287-I291 VanDerWaalsContact O-CG1 3.27Å; I287-I291 WeakPolarHBondContact O-CG1 3.11Å; I287-I291 PolarHBondContact O-N 3.08Å; I287-F460 HydrophobicContact CD1-CD2 4.3Å; I287-F460 HydrophobicContact CD1-CE2 4.18Å |
| 288 | L | 86.9 | Confident | 83.3 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 178.6 | 176.4 | 62 | 0 | 0 | 0 | 111.3 | A208 F209 I270 R273 D286 Q290 I291 I292 M309 | A208-L288 VanDerWaalsContact O-CB 3.22Å; A208-L288 WeakPolarHBondContact O-CB 3.4Å; A208-L288 PolarHBondContact O-N 3.22Å; F209-L288 HydrophobicContact CD1-CB 3.93Å; F209-L288 HydrophobicContact CD1-CD2 3.99Å; F209-L288 HydrophobicContact CD1-CG 4.37Å; F209-L288 HydrophobicContact CE1-CB 4.46Å; I270-L288 HydrophobicContact CG1-CD1 4.17Å; R273-L288 HydrophobicContact CB-CD2 3.86Å; R273-L288 HydrophobicContact CG-CD2 4.02Å; R273-L288 HydrophobicContact CG-CG 4.29Å; D286-L288 VanDerWaalsContact C-N 3.28Å; D286-L288 PolarHBondContact O-N 3.11Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 3.26Å; L288-I291 PolarHBondContact O-N 3.14Å; L288-I292 HydrophobicContact CD1-CD1 3.92Å; L288-I292 HydrophobicContact CD1-CG1 4.16Å; L288-I292 HydrophobicContact CD2-CD1 4.47Å; L288-I292 HydrophobicContact CG-CD1 3.86Å; L288-I292 HydrophobicContact CG-CG1 4.48Å; L288-I292 WeakPolarHBondContact O-CG1 3.31Å; L288-I292 PolarHBondContact O-N 2.91Å; L288-M309 HydrophobicContact CD1-CE 3.93Å |
| 289 | T | 85.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.4 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | R273 M277 V283 P284 D286 I287 I292 K293 | R273-T289 PolarHBondContact NH1-OG1 2.81Å; M277-T289 HydrophobicContact CE-CG2 4.46Å; M277-T289 HydrophobicContact SD-CG2 4.24Å; V283-T289 HydrophobicContact CG2-CG2 3.74Å; P284-T289 WeakPolarHBondContact O-CB 3.24Å; P284-T289 PolarHBondContact O-OG1 3.18Å; D286-T289 PolarHBondContact O-N 3.16Å; D286-T289 VanDerWaalsContact O-N 3.15Å; D286-T289 VanDerWaalsContact OD1-CB 3.24Å; D286-T289 WeakPolarHBondContact OD1-CB 3.43Å; D286-T289 PolarHBondContact OD1-N 2.72Å; D286-T289 PolarHBondContact OD1-OG1 2.72Å; I287-T289 PolarHBondContact O-N 3.13Å; T289-I292 PolarHBondContact O-N 3.47Å; T289-K293 HydrophobicContact CG2-CD 4.27Å; T289-K293 WeakPolarHBondContact O-CB 3.43Å; T289-K293 VanDerWaalsContact O-CG 3.3Å; T289-K293 WeakPolarHBondContact O-CG 3.37Å; T289-K293 PolarHBondContact O-N 3.01Å |
| 290 | Q | 85.3 | Confident | 79.9 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 25% | 0.248 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 176.8 | -172.4 | 60 | 24.2 | 0 | 0 | 112.2 | A156 Y161 D286 I287 L288 T294 | A156-Q290 HydrophobicContact CB-CB 3.88Å; A156-Q290 HydrophobicContact CB-CG 3.78Å; Y161-Q290 HydrophobicContact CD2-CG 4.43Å; Y161-Q290 HydrophobicContact CE1-CB 4.39Å; Y161-Q290 HydrophobicContact CE2-CB 4.13Å; Y161-Q290 HydrophobicContact CE2-CG 4.05Å; D286-Q290 PolarHBondContact O-N 3.38Å; I287-Q290 PolarHBondContact O-N 3.01Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 3.26Å; Q290-T294 WeakPolarHBondContact O-CB 3.4Å; Q290-T294 PolarHBondContact O-N 3.13Å; Q290-T294 PolarHBondContact O-OG1 2.97Å |
| 291 | I | 85.3 | Confident | 78.5 | Confident | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 175.1 | -72.4 | 171.8 | 0 | 0 | 0 | 110.4 | I152 M153 A156 I287 L288 K293 T294 A295 M309 F316 | I152-I291 HydrophobicContact CG2-CG2 4.06Å; M153-I291 HydrophobicContact CG-CD1 4.06Å; M153-I291 HydrophobicContact CG-CG1 4.23Å; M153-I291 HydrophobicContact SD-CD1 4.38Å; A156-I291 HydrophobicContact CB-CG1 4.19Å; I287-I291 HydrophobicContact CG2-CD1 3.71Å; I287-I291 HydrophobicContact CG2-CG1 4.26Å; I287-I291 WeakPolarHBondContact O-CB 3.17Å; I287-I291 VanDerWaalsContact O-CG1 3.27Å; I287-I291 WeakPolarHBondContact O-CG1 3.11Å; I287-I291 PolarHBondContact O-N 3.08Å; L288-I291 PolarHBondContact O-N 3.14Å; I291-K293 VanDerWaalsContact C-N 3.35Å; I291-K293 PolarHBondContact O-N 2.95Å; I291-T294 PolarHBondContact O-N 3.27Å; I291-A295 VanDerWaalsContact O-CB 3.31Å; I291-A295 WeakPolarHBondContact O-CB 3.25Å; I291-A295 PolarHBondContact O-N 2.95Å; I291-M309 HydrophobicContact CG2-CE 4.32Å; I291-F316 HydrophobicContact CD1-CE2 3.75Å; I291-F316 HydrophobicContact CD1-CZ 3.94Å |
| 292 | I | 85.1 | Confident | 77.5 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 178.7 | -68.3 | 166.4 | 0 | 0 | 0 | 110.7 | R273 M277 L288 T289 T294 A295 A296 M309 | R273-I292 HydrophobicContact CB-CD1 4.12Å; R273-I292 HydrophobicContact CG-CD1 3.64Å; M277-I292 HydrophobicContact CE-CB 4.37Å; M277-I292 HydrophobicContact CE-CG2 3.8Å; M277-I292 HydrophobicContact SD-CB 4.03Å; M277-I292 HydrophobicContact SD-CD1 4.15Å; M277-I292 HydrophobicContact SD-CG2 3.64Å; L288-I292 HydrophobicContact CD1-CD1 3.92Å; L288-I292 HydrophobicContact CD1-CG1 4.16Å; L288-I292 HydrophobicContact CD2-CD1 4.47Å; L288-I292 HydrophobicContact CG-CD1 3.86Å; L288-I292 HydrophobicContact CG-CG1 4.48Å; L288-I292 WeakPolarHBondContact O-CG1 3.31Å; L288-I292 PolarHBondContact O-N 2.91Å; T289-I292 PolarHBondContact O-N 3.47Å; I292-T294 PolarHBondContact O-N 3.38Å; I292-A295 PolarHBondContact O-N 2.92Å; I292-A296 WeakPolarHBondContact O-CB 3.25Å; I292-A296 PolarHBondContact O-N 2.93Å; I292-M309 HydrophobicContact CD1-CE 4.14Å; I292-M309 HydrophobicContact CG1-CE 3.34Å; I292-M309 HydrophobicContact CG1-SD 4.5Å |
| 293 | K | 84.6 | Confident | 76.7 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 45% | 0.452 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 177.2 | -75.1 | 179.3 | 179.1 | 179 | 0 | 111.9 | M277 T289 I291 A296 T297 | M277-K293 HydrophobicContact CE-CG 3.67Å; T289-K293 HydrophobicContact CG2-CD 4.27Å; T289-K293 WeakPolarHBondContact O-CB 3.43Å; T289-K293 VanDerWaalsContact O-CG 3.3Å; T289-K293 WeakPolarHBondContact O-CG 3.37Å; T289-K293 PolarHBondContact O-N 3.01Å; I291-K293 VanDerWaalsContact C-N 3.35Å; I291-K293 PolarHBondContact O-N 2.95Å; K293-A296 PolarHBondContact O-N 3.44Å; K293-T297 PolarHBondContact O-N 3.47Å |
| 294 | T | 82.6 | Confident | 76.1 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 14% | 0.135 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.7 | -43.7 | -180 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | P155 Q290 I291 I292 A296 T297 | P155-T294 HydrophobicContact CG-CG2 4.44Å; Q290-T294 WeakPolarHBondContact O-CB 3.4Å; Q290-T294 PolarHBondContact O-N 3.13Å; Q290-T294 PolarHBondContact O-OG1 2.97Å; I291-T294 PolarHBondContact O-N 3.27Å; I292-T294 PolarHBondContact O-N 3.38Å; T294-A296 VanDerWaalsContact C-N 3.3Å; T294-A296 PolarHBondContact O-N 3.04Å; T294-T297 PolarHBondContact O-N 2.99Å; T294-T297 VanDerWaalsContact O-N 3.13Å; T294-T297 PolarHBondContact O-OG1 2.97Å |
| 295 | A | 80.9 | Confident | 75.7 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 8% | 0.083 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I152 I291 I292 T297 E298 M301 | I152-A295 HydrophobicContact CG2-CB 4.12Å; I291-A295 VanDerWaalsContact O-CB 3.31Å; I291-A295 WeakPolarHBondContact O-CB 3.25Å; I291-A295 PolarHBondContact O-N 2.95Å; I292-A295 PolarHBondContact O-N 2.92Å; A295-T297 VanDerWaalsContact C-N 3.25Å; A295-T297 PolarHBondContact O-N 2.76Å; A295-E298 WeakPolarHBondContact O-CB 3.26Å; A295-E298 PolarHBondContact O-N 3.34Å; A295-M301 HydrophobicContact CB-SD 4.48Å |
| 296 | A | 77.8 | Confident | 75.4 | Confident | 72 Ų | 72 | 63 Ų | 63 | 60% | 0.595 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.1 | -22.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | I292 K293 T294 E298 | I292-A296 WeakPolarHBondContact O-CB 3.25Å; I292-A296 PolarHBondContact O-N 2.93Å; K293-A296 PolarHBondContact O-N 3.44Å; T294-A296 VanDerWaalsContact C-N 3.3Å; T294-A296 PolarHBondContact O-N 3.04Å; A296-E298 VanDerWaalsContact C-N 3.35Å |
| 297 | T | 76.1 | Confident | 75.4 | Confident | 110 Ų | 110 | 65.6 Ų | 65.6 | 68% | 0.675 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -78.4 | -20.9 | 174.9 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | K293 T294 A295 K299 | K293-T297 PolarHBondContact O-N 3.47Å; T294-T297 PolarHBondContact O-N 2.99Å; T294-T297 VanDerWaalsContact O-N 3.13Å; T294-T297 PolarHBondContact O-OG1 2.97Å; A295-T297 VanDerWaalsContact C-N 3.25Å; A295-T297 PolarHBondContact O-N 2.76Å; T297-K299 PolarHBondContact O-N 3.3Å |
| 298 | E | 68.8 | Low | 75.4 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -78.7 | 111.5 | 170.6 | -61.8 | -79.8 | 177.3 | 0 | 0 | 107.5 | R151 I152 A295 A296 N300 | R151-E298 IonicContact CZ-OE1 3.2Å; R151-E298 IonicContact CZ-OE2 3.61Å; R151-E298 IonicContact NE-OE1 2.73Å; R151-E298 PolarHBondContact NE-OE1 3.45Å; R151-E298 IonicContact NH2-OE1 3.38Å; R151-E298 PolarHBondContact NH2-OE1 2.72Å; R151-E298 IonicContact NH2-OE2 3.19Å; R151-E298 PolarHBondContact NH2-OE2 2.65Å; I152-E298 HydrophobicContact CG1-CG 4.34Å; A295-E298 WeakPolarHBondContact O-CB 3.26Å; A295-E298 PolarHBondContact O-N 3.34Å; A296-E298 VanDerWaalsContact C-N 3.35Å; E298-N300 PolarHBondContact O-N 3.42Å |
| 299 | K | 51.7 | Low | 75.3 | Confident | 198 Ų | 198 | 67.2 Ų | 67.2 | 86% | 0.861 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -54.8 | 135 | -176.9 | -69.1 | -178.8 | 179 | 180 | 0 | 110.9 | T297 | T297-K299 PolarHBondContact O-N 3.3Š|
| 300 | N | 53.6 | Low | 75.5 | Confident | 152 Ų | 152 | 68 Ų | 68 | 81% | 0.813 | 35% | 0.349 | S | S | * | . | trans | 68.7 | 79.2 | 178.3 | -58.4 | -19.4 | 0 | 0 | 0 | 115.1 | E298 S302 | E298-N300 PolarHBondContact O-N 3.42Å; N300-S302 PolarHBondContact O-N 2.87Å; N300-S302 VanDerWaalsContact O-N 3.16Å | ||
| 301 | M | 55.9 | Low | 75.7 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 30% | 0.296 | 34% | 0.337 | S | S | . | . | trans | -69.7 | 107.9 | 165.2 | -164.4 | 167.4 | 65.3 | 0 | 0 | 109.3 | R274 A295 D305 | R274-M301 VanDerWaalsContact NH1-CE 3.29Å; A295-M301 HydrophobicContact CB-SD 4.48Å; M301-D305 HydrophobicContact CG-CB 3.73Å | ||
| 302 | S | 65.4 | Low | 75.9 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | trans | -84.8 | 165.7 | 179.1 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | N300 E304 D305 E306 | N300-S302 PolarHBondContact O-N 2.87Å; N300-S302 VanDerWaalsContact O-N 3.16Å; S302-E304 PolarHBondContact O-N 3.31Å; S302-E304 VanDerWaalsContact O-N 3.17Å; S302-E304 WeakPolarHBondContact OG-CB 3.47Å; S302-E304 PolarHBondContact OG-N 3.45Å; S302-D305 PolarHBondContact N-OD2 3.23Å; S302-D305 WeakPolarHBondContact O-CB 3.32Å; S302-D305 PolarHBondContact O-N 3.23Å; S302-D305 PolarHBondContact OG-N 3.49Å; S302-D305 PolarHBondContact OG-OD2 3.44Å; S302-E306 PolarHBondContact O-N 2.89Å | ||
| 303 | E | 67.1 | Low | 76.1 | Confident | 174 Ų | 174 | 64.7 Ų | 64.7 | 81% | 0.813 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -55.2 | -29.5 | 168.9 | -69.8 | -176.8 | 170.7 | 0 | 0 | 111.9 | D305 E306 E307 | E303-D305 VanDerWaalsContact C-N 3.3Å; E303-D305 PolarHBondContact O-N 3.29Å; E303-E306 PolarHBondContact O-N 3.28Å; E303-E307 PolarHBondContact O-N 3.4Å |
| 304 | E | 71.5 | Confident | 76.4 | Confident | 123 Ų | 123 | 59.8 Ų | 59.8 | 58% | 0.575 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.7 | -33 | 175.6 | -158.8 | -178.7 | -175.7 | 0 | 0 | 112.2 | S302 E307 F308 | S302-E304 PolarHBondContact O-N 3.31Å; S302-E304 VanDerWaalsContact O-N 3.17Å; S302-E304 WeakPolarHBondContact OG-CB 3.47Å; S302-E304 PolarHBondContact OG-N 3.45Å; E304-E307 PolarHBondContact O-N 2.89Å; E304-F308 HydrophobicContact CB-CE2 4.42Å; E304-F308 HydrophobicContact CG-CD2 4.4Å; E304-F308 HydrophobicContact CG-CE1 4.24Å; E304-F308 HydrophobicContact CG-CE2 3.67Å; E304-F308 HydrophobicContact CG-CZ 3.58Å; E304-F308 WeakPolarHBondContact O-CD2 3.36Å; E304-F308 VanDerWaalsContact O-CG 3.24Å; E304-F308 WeakPolarHBondContact O-CG 3.39Å; E304-F308 PolarHBondContact O-N 2.94Å; E304-F308 WeakPolarHBondContact OE1-CZ 3.32Å |
| 305 | D | 72.1 | Confident | 76.7 | Confident | 18 Ų | 18 | 59 Ų | 59 | 10% | 0.096 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.2 | -33.8 | 178.1 | -63.7 | -56.4 | 0 | 0 | 0 | 112.2 | K148 M301 S302 E303 E307 F308 M309 | K148-D305 IonicContact NZ-OD1 2.64Å; K148-D305 PolarHBondContact NZ-OD1 2.92Å; K148-D305 IonicContact NZ-OD2 3.63Å; M301-D305 HydrophobicContact CG-CB 3.73Å; S302-D305 PolarHBondContact N-OD2 3.23Å; S302-D305 WeakPolarHBondContact O-CB 3.32Å; S302-D305 PolarHBondContact O-N 3.23Å; S302-D305 PolarHBondContact OG-N 3.49Å; S302-D305 PolarHBondContact OG-OD2 3.44Å; E303-D305 VanDerWaalsContact C-N 3.3Å; E303-D305 PolarHBondContact O-N 3.29Å; D305-E307 VanDerWaalsContact C-N 3.34Å; D305-F308 PolarHBondContact O-N 3.02Å; D305-M309 WeakPolarHBondContact O-CG 3.14Å; D305-M309 PolarHBondContact O-N 3.23Å |
| 306 | E | 76.3 | Confident | 77 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 42% | 0.416 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 172.1 | -65.6 | -174.1 | -173.2 | 0 | 0 | 111.3 | R274 S302 E303 M309 L310 | R274-E306 IonicContact CZ-OE1 3.72Å; R274-E306 IonicContact NH1-OE1 3.56Å; R274-E306 PolarHBondContact NH1-OE1 2.93Å; R274-E306 IonicContact NH2-OE1 2.7Å; S302-E306 PolarHBondContact O-N 2.89Å; E303-E306 PolarHBondContact O-N 3.28Å; E306-M309 WeakPolarHBondContact O-CB 3.48Å; E306-M309 PolarHBondContact O-N 3.07Å; E306-L310 PolarHBondContact O-N 3.25Å |
| 307 | E | 86.1 | Confident | 77.3 | Confident | 59 Ų | 59 | 56.2 Ų | 56.2 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 176.7 | -170.8 | 61.4 | -161.8 | 0 | 0 | 111.4 | R131 R263 E303 E304 D305 L310 D311 | R131-E307 WeakPolarHBondContact CD-OE1 3.31Å; R131-E307 IonicContact CZ-OE1 3.47Å; R131-E307 IonicContact NE-OE1 2.72Å; R131-E307 PolarHBondContact NE-OE1 2.81Å; R131-E307 IonicContact NH2-OE1 3.95Å; R263-E307 IonicContact CZ-OE1 3.64Å; R263-E307 IonicContact NH1-OE1 2.72Å; R263-E307 IonicContact NH2-OE1 3.15Å; R263-E307 PolarHBondContact NH2-OE1 3.47Å; R263-E307 IonicContact NH2-OE2 3.51Å; E303-E307 PolarHBondContact O-N 3.4Å; E304-E307 PolarHBondContact O-N 2.89Å; D305-E307 VanDerWaalsContact C-N 3.34Å; E307-L310 PolarHBondContact O-N 3.05Å; E307-D311 WeakPolarHBondContact O-CB 3.46Å; E307-D311 PolarHBondContact O-N 3.14Å |
| 308 | F | 84.8 | Confident | 77.6 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 171.8 | -66.8 | -34.8 | 0 | 0 | 0 | 112.2 | T135 T145 E304 D305 L310 D311 N312 | T135-F308 HydrophobicContact CG2-CE1 3.97Å; T145-F308 HydrophobicContact CG2-CE1 4.3Å; T145-F308 HydrophobicContact CG2-CZ 4.04Å; E304-F308 HydrophobicContact CB-CE2 4.42Å; E304-F308 HydrophobicContact CG-CD2 4.4Å; E304-F308 HydrophobicContact CG-CE1 4.24Å; E304-F308 HydrophobicContact CG-CE2 3.67Å; E304-F308 HydrophobicContact CG-CZ 3.58Å; E304-F308 WeakPolarHBondContact O-CD2 3.36Å; E304-F308 VanDerWaalsContact O-CG 3.24Å; E304-F308 WeakPolarHBondContact O-CG 3.39Å; E304-F308 PolarHBondContact O-N 2.94Å; E304-F308 WeakPolarHBondContact OE1-CZ 3.32Å; D305-F308 PolarHBondContact O-N 3.02Å; F308-L310 VanDerWaalsContact C-N 3.31Å; F308-L310 PolarHBondContact O-N 3.45Å; F308-D311 PolarHBondContact O-N 2.97Å; F308-N312 WeakPolarHBondContact O-CB 3.27Å; F308-N312 PolarHBondContact O-N 3.25Å; F308-N312 PolarHBondContact O-ND2 3.38Å |
| 309 | M | 84.2 | Confident | 78 | Confident | 23 Ų | 23 | 51 Ų | 51 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 175.1 | -77.9 | -174.9 | 70.3 | 0 | 0 | 111.6 | I270 L288 I291 I292 D305 E306 N312 F313 | I270-M309 HydrophobicContact CD1-CB 4.23Å; I270-M309 HydrophobicContact CG2-CE 3.98Å; L288-M309 HydrophobicContact CD1-CE 3.93Å; I291-M309 HydrophobicContact CG2-CE 4.32Å; I292-M309 HydrophobicContact CD1-CE 4.14Å; I292-M309 HydrophobicContact CG1-CE 3.34Å; I292-M309 HydrophobicContact CG1-SD 4.5Å; D305-M309 WeakPolarHBondContact O-CG 3.14Å; D305-M309 PolarHBondContact O-N 3.23Å; E306-M309 WeakPolarHBondContact O-CB 3.48Å; E306-M309 PolarHBondContact O-N 3.07Å; M309-N312 PolarHBondContact O-N 2.95Å; M309-F313 PolarHBondContact O-N 2.71Å |
| 310 | L | 89.8 | Confident | 78.9 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.2 | -41.1 | 177.8 | -179 | 56.1 | 0 | 0 | 0 | 112.6 | R263 A267 I270 E306 E307 F308 N312 F313 V314 | R263-L310 VanDerWaalsContact NH2-CD2 3.35Å; R263-L310 WeakPolarHBondContact O-CD1 3.42Å; A267-L310 HydrophobicContact CB-CD1 4.29Å; A267-L310 HydrophobicContact CB-CD2 4.19Å; I270-L310 HydrophobicContact CD1-CB 4.32Å; I270-L310 HydrophobicContact CD1-CD1 4.34Å; E306-L310 PolarHBondContact O-N 3.25Å; E307-L310 PolarHBondContact O-N 3.05Å; F308-L310 VanDerWaalsContact C-N 3.31Å; F308-L310 PolarHBondContact O-N 3.45Å; L310-N312 VanDerWaalsContact C-N 3.28Å; L310-N312 PolarHBondContact O-N 2.78Å; L310-F313 WeakPolarHBondContact O-CB 3.23Å; L310-F313 PolarHBondContact O-N 3.28Å; L310-V314 PolarHBondContact O-N 3.18Å; L310-V314 VanDerWaalsContact O-N 3.16Å |
| 311 | D | 91.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 174.8 | -75.9 | -16.7 | 0 | 0 | 0 | 111.8 | R131 I133 G134 T135 R263 E307 F308 T315 | R131-D311 IonicContact CZ-OD1 3.58Å; R131-D311 IonicContact CZ-OD2 3.14Å; R131-D311 IonicContact NE-OD1 2.67Å; R131-D311 PolarHBondContact NE-OD1 3.25Å; R131-D311 IonicContact NE-OD2 2.75Å; R131-D311 PolarHBondContact NE-OD2 3.29Å; R131-D311 IonicContact NH2-OD1 3.63Å; R131-D311 IonicContact NH2-OD2 2.78Å; R131-D311 PolarHBondContact NH2-OD2 2.99Å; I133-D311 WeakPolarHBondContact O-CB 3.17Å; G134-D311 WeakPolarHBondContact CA-OD1 3.25Å; G134-D311 WeakPolarHBondContact CA-OD2 3.24Å; T135-D311 PolarHBondContact N-OD2 3.41Å; R263-D311 IonicContact CZ-OD1 3.78Å; R263-D311 IonicContact NH1-OD1 3.88Å; R263-D311 PolarHBondContact NH1-OD1 3.47Å; R263-D311 IonicContact NH2-OD1 2.8Å; E307-D311 WeakPolarHBondContact O-CB 3.46Å; E307-D311 PolarHBondContact O-N 3.14Å; F308-D311 PolarHBondContact O-N 2.97Å; D311-T315 WeakPolarHBondContact O-CB 3.49Å; D311-T315 PolarHBondContact O-N 3.31Å; D311-T315 PolarHBondContact O-OG1 3.4Å |
| 312 | N | 88.9 | Confident | 79.9 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.9 | -33 | 177.1 | -75.1 | -66.7 | 0 | 0 | 0 | 113.4 | G136 L137 Q149 M153 F308 M309 L310 V314 T315 F316 | G136-N312 WeakPolarHBondContact CA-OD1 3.19Å; L137-N312 WeakPolarHBondContact CD1-OD1 3.42Å; L137-N312 PolarHBondContact N-OD1 3.44Å; Q149-N312 PolarHBondContact OE1-ND2 2.84Å; M153-N312 HydrophobicContact CE-CB 3.43Å; M153-N312 VanDerWaalsContact CE-CB 3.43Å; M153-N312 WeakPolarHBondContact CE-ND2 3.48Å; M153-N312 HydrophobicContact SD-CB 4.07Å; F308-N312 WeakPolarHBondContact O-CB 3.27Å; F308-N312 PolarHBondContact O-N 3.25Å; F308-N312 PolarHBondContact O-ND2 3.38Å; M309-N312 PolarHBondContact O-N 2.95Å; L310-N312 VanDerWaalsContact C-N 3.28Å; L310-N312 PolarHBondContact O-N 2.78Å; N312-V314 PolarHBondContact O-N 2.93Å; N312-T315 CarbonylContact O-C 3.49Å; N312-T315 WeakPolarHBondContact O-CA 3.5Å; N312-T315 WeakPolarHBondContact O-CB 3.29Å; N312-T315 PolarHBondContact O-N 3.42Å; N312-T315 VanDerWaalsContact O-N 3.16Å; N312-F316 HydrophobicContact CB-CZ 4.48Å; N312-F316 WeakPolarHBondContact O-CD1 3.45Å; N312-F316 VanDerWaalsContact O-CG 3.29Å; N312-F316 WeakPolarHBondContact O-CG 3.22Å; N312-F316 PolarHBondContact O-N 3.13Å |
| 313 | F | 88.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -52.9 | -54.8 | 169.6 | 174.7 | -81.2 | 0 | 0 | 0 | 110.5 | F209 F222 W269 I270 M309 L310 T315 F316 F317 | F209-F313 AromaticContact CD1-CD2 3.7Å; F209-F313 HydrophobicContact CD1-CD2 3.7Å; F209-F313 AromaticContact CD1-CE2 3.65Å; F209-F313 HydrophobicContact CD1-CE2 3.65Å; F209-F313 HydrophobicContact CD2-CE2 4.2Å; F209-F313 HydrophobicContact CE1-CB 4.47Å; F209-F313 AromaticContact CE1-CD2 3.13Å; F209-F313 HydrophobicContact CE1-CD2 3.13Å; F209-F313 AromaticContact CE1-CE2 3.52Å; F209-F313 HydrophobicContact CE1-CE2 3.52Å; F209-F313 HydrophobicContact CE1-CG 4.11Å; F209-F313 HydrophobicContact CE2-CD2 4.22Å; F209-F313 HydrophobicContact CE2-CE2 4.07Å; F209-F313 HydrophobicContact CG-CD2 4.43Å; F209-F313 AromaticContact CG-CE2 3.98Å; F209-F313 HydrophobicContact CG-CE2 3.98Å; F209-F313 HydrophobicContact CZ-CB 4.48Å; F209-F313 AromaticContact CZ-CD2 3.4Å; F209-F313 HydrophobicContact CZ-CD2 3.4Å; F209-F313 AromaticContact CZ-CE2 3.7Å; F209-F313 HydrophobicContact CZ-CE2 3.7Å; F209-F313 HydrophobicContact CZ-CG 4.07Å; F222-F313 HydrophobicContact CZ-CE1 4.45Å; W269-F313 HydrophobicContact CB-CE2 4.34Å; W269-F313 HydrophobicContact CD2-CE2 4.12Å; W269-F313 HydrophobicContact CD2-CZ 4.09Å; W269-F313 AromaticContact CE3-CE2 3.45Å; W269-F313 HydrophobicContact CE3-CE2 3.45Å; W269-F313 VanDerWaalsContact CE3-CE2 3.45Å; W269-F313 AromaticContact CE3-CZ 3.6Å; W269-F313 HydrophobicContact CE3-CZ 3.6Å; W269-F313 HydrophobicContact CZ3-CE2 4.04Å; W269-F313 AromaticContact CZ3-CZ 3.9Å; W269-F313 HydrophobicContact CZ3-CZ 3.9Å; I270-F313 HydrophobicContact CD1-CB 4.17Å; M309-F313 PolarHBondContact O-N 2.71Å; L310-F313 WeakPolarHBondContact O-CB 3.23Å; L310-F313 PolarHBondContact O-N 3.28Å; F313-T315 VanDerWaalsContact C-N 3.27Å; F313-T315 PolarHBondContact O-N 2.81Å; F313-F316 PolarHBondContact O-N 2.77Å; F313-F317 HydrophobicContact CD1-CD2 4.17Å; F313-F317 HydrophobicContact CD1-CE2 4.17Å; F313-F317 HydrophobicContact CD2-CE2 4.32Å; F313-F317 AromaticContact CE1-CD2 3.81Å; F313-F317 HydrophobicContact CE1-CD2 3.81Å; F313-F317 AromaticContact CE1-CE2 3.58Å; F313-F317 HydrophobicContact CE1-CE2 3.58Å; F313-F317 AromaticContact CE2-CE2 3.74Å; F313-F317 HydrophobicContact CE2-CE2 3.74Å; F313-F317 HydrophobicContact CG-CE2 4.49Å; F313-F317 HydrophobicContact CZ-CD2 4.06Å; F313-F317 AromaticContact CZ-CE2 3.33Å; F313-F317 HydrophobicContact CZ-CE2 3.33Å; F313-F317 HydrophobicContact CZ-CZ 4.2Å; F313-F317 VanDerWaalsContact O-CD2 3.3Å; F313-F317 WeakPolarHBondContact O-CD2 3.42Å |
| 314 | V | 89.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -38 | 179 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | F132 I133 L262 R263 L310 N312 F316 F317 I318 | F132-V314 HydrophobicContact CD2-CG1 4.03Å; F132-V314 HydrophobicContact CE2-CG1 3.72Å; F132-V314 HydrophobicContact CZ-CG1 4.33Å; I133-V314 HydrophobicContact CG2-CB 4.11Å; I133-V314 HydrophobicContact CG2-CG1 3.69Å; L262-V314 HydrophobicContact CB-CG1 4.48Å; L262-V314 HydrophobicContact CD1-CG1 4.49Å; R263-V314 HydrophobicContact CG-CG2 3.81Å; L310-V314 PolarHBondContact O-N 3.18Å; L310-V314 VanDerWaalsContact O-N 3.16Å; N312-V314 PolarHBondContact O-N 2.93Å; V314-F316 VanDerWaalsContact C-N 3.31Å; V314-F316 PolarHBondContact O-N 2.93Å; V314-F317 PolarHBondContact O-N 2.93Å; V314-I318 HydrophobicContact CG1-CG1 3.99Å; V314-I318 VanDerWaalsContact O-CG1 3.3Å; V314-I318 WeakPolarHBondContact O-CG1 3.35Å; V314-I318 PolarHBondContact O-N 2.87Å |
| 315 | T | 89.5 | Confident | 82.4 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58 | -40 | 176.5 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | V138 D311 N312 F313 F317 I318 A319 | V138-T315 HydrophobicContact CB-CG2 4.02Å; V138-T315 HydrophobicContact CG2-CG2 3.47Å; V138-T315 VanDerWaalsContact CG2-CG2 3.47Å; D311-T315 WeakPolarHBondContact O-CB 3.49Å; D311-T315 PolarHBondContact O-N 3.31Å; D311-T315 PolarHBondContact O-OG1 3.4Å; N312-T315 CarbonylContact O-C 3.49Å; N312-T315 WeakPolarHBondContact O-CA 3.5Å; N312-T315 WeakPolarHBondContact O-CB 3.29Å; N312-T315 PolarHBondContact O-N 3.42Å; N312-T315 VanDerWaalsContact O-N 3.16Å; F313-T315 VanDerWaalsContact C-N 3.27Å; F313-T315 PolarHBondContact O-N 2.81Å; T315-F317 VanDerWaalsContact C-N 3.3Å; T315-F317 PolarHBondContact O-N 2.69Å; T315-I318 PolarHBondContact O-N 3.27Å; T315-A319 HydrophobicContact CG2-CB 4.3Å; T315-A319 WeakPolarHBondContact O-CA 3.46Å; T315-A319 VanDerWaalsContact O-CB 3.23Å; T315-A319 WeakPolarHBondContact O-CB 3.24Å; T315-A319 PolarHBondContact O-N 3.18Å |
| 316 | F | 87.1 | Confident | 83.3 | Confident | 23 Ų | 23 | 17.5 Ų | 17.5 | 10% | 0.101 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66 | -31.1 | 179 | -64.4 | -20 | 0 | 0 | 0 | 113.2 | M153 F157 F209 I291 N312 F313 V314 G320 L456 | M153-F316 HydrophobicContact SD-CE1 4.07Å; M153-F316 HydrophobicContact SD-CZ 3.58Å; M153-F316 VanDerWaalsContact SD-CZ 3.58Å; F157-F316 HydrophobicContact CE2-CE1 4.16Å; F157-F316 HydrophobicContact CE2-CE2 4.36Å; F157-F316 AromaticContact CE2-CZ 3.79Å; F157-F316 HydrophobicContact CE2-CZ 3.79Å; F157-F316 HydrophobicContact CZ-CD1 4.43Å; F157-F316 AromaticContact CZ-CE1 3.98Å; F157-F316 HydrophobicContact CZ-CE1 3.98Å; F157-F316 HydrophobicContact CZ-CE2 4.27Å; F157-F316 AromaticContact CZ-CZ 3.89Å; F157-F316 HydrophobicContact CZ-CZ 3.89Å; F209-F316 HydrophobicContact CE1-CD2 4.45Å; F209-F316 HydrophobicContact CZ-CB 4.32Å; F209-F316 AromaticContact CZ-CD2 3.8Å; F209-F316 HydrophobicContact CZ-CD2 3.8Å; I291-F316 HydrophobicContact CD1-CE2 3.75Å; I291-F316 HydrophobicContact CD1-CZ 3.94Å; N312-F316 HydrophobicContact CB-CZ 4.48Å; N312-F316 WeakPolarHBondContact O-CD1 3.45Å; N312-F316 VanDerWaalsContact O-CG 3.29Å; N312-F316 WeakPolarHBondContact O-CG 3.22Å; N312-F316 PolarHBondContact O-N 3.13Å; F313-F316 PolarHBondContact O-N 2.77Å; V314-F316 VanDerWaalsContact C-N 3.31Å; V314-F316 PolarHBondContact O-N 2.93Å; F316-G320 WeakPolarHBondContact O-CA 3.35Å; F316-G320 PolarHBondContact O-N 3.11Å; F316-L456 HydrophobicContact CE1-CD2 4.34Å |
| 317 | F | 84 | Confident | 84.1 | Confident | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -81.1 | -34.6 | 176.1 | -72 | -70.1 | 0 | 0 | 0 | 113.3 | L201 I204 A205 F209 F222 I226 W269 F313 V314 T315 | L201-F317 HydrophobicContact CD1-CD1 3.47Å; L201-F317 VanDerWaalsContact CD1-CD1 3.47Å; L201-F317 HydrophobicContact CD1-CE1 3.67Å; I204-F317 HydrophobicContact CG2-CD1 3.96Å; I204-F317 HydrophobicContact CG2-CE1 3.87Å; A205-F317 HydrophobicContact CB-CE1 4.33Å; F209-F317 HydrophobicContact CD2-CE1 4.44Å; F209-F317 AromaticContact CD2-CE2 3.69Å; F209-F317 HydrophobicContact CD2-CE2 3.69Å; F209-F317 AromaticContact CD2-CZ 3.42Å; F209-F317 HydrophobicContact CD2-CZ 3.42Å; F209-F317 VanDerWaalsContact CD2-CZ 3.42Å; F209-F317 HydrophobicContact CE2-CD2 4.05Å; F209-F317 HydrophobicContact CE2-CE1 4.22Å; F209-F317 AromaticContact CE2-CE2 3.12Å; F209-F317 HydrophobicContact CE2-CE2 3.12Å; F209-F317 AromaticContact CE2-CZ 3.26Å; F209-F317 HydrophobicContact CE2-CZ 3.26Å; F209-F317 HydrophobicContact CZ-CD2 4.47Å; F209-F317 AromaticContact CZ-CE2 3.74Å; F209-F317 HydrophobicContact CZ-CE2 3.74Å; F209-F317 HydrophobicContact CZ-CZ 4.3Å; F222-F317 HydrophobicContact CE1-CB 4.25Å; F222-F317 AromaticContact CE1-CD1 3.46Å; F222-F317 HydrophobicContact CE1-CD1 3.46Å; F222-F317 VanDerWaalsContact CE1-CD1 3.46Å; F222-F317 HydrophobicContact CE1-CD2 4.05Å; F222-F317 AromaticContact CE1-CE1 3.62Å; F222-F317 HydrophobicContact CE1-CE1 3.62Å; F222-F317 HydrophobicContact CE1-CE2 4.22Å; F222-F317 AromaticContact CE1-CG 3.64Å; F222-F317 HydrophobicContact CE1-CG 3.64Å; F222-F317 HydrophobicContact CE1-CZ 4Å; F222-F317 HydrophobicContact CZ-CB 4.46Å; F222-F317 HydrophobicContact CZ-CD1 4.02Å; F222-F317 AromaticContact CZ-CD2 3.73Å; F222-F317 HydrophobicContact CZ-CD2 3.73Å; F222-F317 HydrophobicContact CZ-CE1 4.1Å; F222-F317 AromaticContact CZ-CE2 3.86Å; F222-F317 HydrophobicContact CZ-CE2 3.86Å; F222-F317 AromaticContact CZ-CG 3.8Å; F222-F317 HydrophobicContact CZ-CG 3.8Å; F222-F317 HydrophobicContact CZ-CZ 4.01Å; I226-F317 HydrophobicContact CD1-CB 3.89Å; I226-F317 HydrophobicContact CD1-CD1 4.44Å; I226-F317 HydrophobicContact CD1-CG 4.49Å; W269-F317 HydrophobicContact CH2-CZ 4.42Å; W269-F317 HydrophobicContact CZ3-CE2 4.38Å; W269-F317 AromaticContact CZ3-CZ 3.9Å; W269-F317 HydrophobicContact CZ3-CZ 3.9Å; F313-F317 HydrophobicContact CD1-CD2 4.17Å; F313-F317 HydrophobicContact CD1-CE2 4.17Å; F313-F317 HydrophobicContact CD2-CE2 4.32Å; F313-F317 AromaticContact CE1-CD2 3.81Å; F313-F317 HydrophobicContact CE1-CD2 3.81Å; F313-F317 AromaticContact CE1-CE2 3.58Å; F313-F317 HydrophobicContact CE1-CE2 3.58Å; F313-F317 AromaticContact CE2-CE2 3.74Å; F313-F317 HydrophobicContact CE2-CE2 3.74Å; F313-F317 HydrophobicContact CG-CE2 4.49Å; F313-F317 HydrophobicContact CZ-CD2 4.06Å; F313-F317 AromaticContact CZ-CE2 3.33Å; F313-F317 HydrophobicContact CZ-CE2 3.33Å; F313-F317 HydrophobicContact CZ-CZ 4.2Å; F313-F317 VanDerWaalsContact O-CD2 3.3Å; F313-F317 WeakPolarHBondContact O-CD2 3.42Å; V314-F317 PolarHBondContact O-N 2.93Å; T315-F317 VanDerWaalsContact C-N 3.3Å; T315-F317 PolarHBondContact O-N 2.69Å |
| 318 | I | 82.9 | Confident | 84.6 | Confident | 10 Ų | 10 | 10.9 Ų | 10.9 | 5% | 0.051 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -80.5 | -38.8 | -179.3 | -61 | -56.9 | 0 | 0 | 0 | 112.3 | F132 I133 I226 C229 L230 I233 L262 V314 T315 | F132-I318 HydrophobicContact CE1-CD1 4.43Å; F132-I318 HydrophobicContact CE1-CG1 4.1Å; F132-I318 HydrophobicContact CE1-CG2 4.27Å; F132-I318 HydrophobicContact CE2-CD1 4.13Å; F132-I318 HydrophobicContact CE2-CG1 4.1Å; F132-I318 HydrophobicContact CZ-CB 4.47Å; F132-I318 HydrophobicContact CZ-CD1 3.47Å; F132-I318 VanDerWaalsContact CZ-CD1 3.47Å; F132-I318 HydrophobicContact CZ-CG1 3.41Å; F132-I318 VanDerWaalsContact CZ-CG1 3.41Å; F132-I318 HydrophobicContact CZ-CG2 4.3Å; I133-I318 HydrophobicContact CG2-CB 4.38Å; I133-I318 HydrophobicContact CG2-CG1 4.19Å; I226-I318 HydrophobicContact CB-CD1 4.28Å; I226-I318 HydrophobicContact CG1-CD1 4.11Å; I226-I318 HydrophobicContact CG2-CD1 3.92Å; C229-I318 HydrophobicContact CB-CD1 4.46Å; L230-I318 HydrophobicContact CD2-CG2 3.85Å; I233-I318 HydrophobicContact CD1-CG2 4.4Å; L262-I318 HydrophobicContact CD1-CD1 4.31Å; V314-I318 HydrophobicContact CG1-CG1 3.99Å; V314-I318 VanDerWaalsContact O-CG1 3.3Å; V314-I318 WeakPolarHBondContact O-CG1 3.35Å; V314-I318 PolarHBondContact O-N 2.87Å; T315-I318 PolarHBondContact O-N 3.27Å |
| 319 | A | 78.1 | Confident | 85.1 | Confident | 45 Ų | 45 | 10 Ų | 10 | 37% | 0.372 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -100.7 | -7.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V138 T315 | V138-A319 HydrophobicContact CG2-CB 3.98Å; T315-A319 HydrophobicContact CG2-CB 4.3Å; T315-A319 WeakPolarHBondContact O-CA 3.46Å; T315-A319 VanDerWaalsContact O-CB 3.23Å; T315-A319 WeakPolarHBondContact O-CB 3.24Å; T315-A319 PolarHBondContact O-N 3.18Å |
| 320 | G | 69.1 | Low | 85.7 | Confident | 16 Ų | 16 | 9 Ų | 9 | 17% | 0.165 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -88 | -154.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | F316 Q322 T324 | F316-G320 WeakPolarHBondContact O-CA 3.35Å; F316-G320 PolarHBondContact O-N 3.11Å; G320-Q322 PolarHBondContact O-N 2.73Å; G320-T324 PolarHBondContact O-N 2.79Å; G320-T324 PolarHBondContact O-OG1 3.3Å |
| 321 | S | 63.2 | Low | 86 | Confident | 3 Ų | 3 | 8 Ų | 8 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -33.7 | -158.8 | -67 | 0 | 0 | 0 | 0 | 116.2 | E323 T325 A326 F460 E464 | S321-E323 PolarHBondContact O-N 3.4Å; S321-T325 WeakPolarHBondContact CA-OG1 3.5Å; S321-T325 WeakPolarHBondContact O-CA 3.3Å; S321-T325 VanDerWaalsContact O-CB 3.3Å; S321-T325 WeakPolarHBondContact O-CB 3.3Å; S321-T325 PolarHBondContact O-N 2.82Å; S321-T325 PolarHBondContact OG-OG1 2.89Å; S321-A326 PolarHBondContact O-N 2.93Å; S321-F460 WeakPolarHBondContact OG-CE1 3.41Å; S321-E464 WeakPolarHBondContact CB-OE1 3.37Å; S321-E464 WeakPolarHBondContact CB-OE2 3.34Å; S321-E464 PolarHBondContact OG-OE1 2.8Å; S321-E464 PolarHBondContact OG-OE2 2.83Å |
| 322 | Q | 68.1 | Low | 86.3 | Confident | 9 Ų | 9 | 8 Ų | 8 | 4% | 0.042 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -36.9 | -176.5 | -174.7 | -173 | -8.8 | 0 | 0 | 113 | N197 T200 L201 G320 A326 | N197-Q322 PolarHBondContact OD1-O 3.22Å; T200-Q322 WeakPolarHBondContact OG1-CA 3.44Å; L201-Q322 HydrophobicContact CB-CB 4.03Å; L201-Q322 HydrophobicContact CB-CG 3.95Å; L201-Q322 HydrophobicContact CD1-CB 4.43Å; L201-Q322 VanDerWaalsContact CD2-OE1 3.23Å; G320-Q322 PolarHBondContact O-N 2.73Å; Q322-A326 WeakPolarHBondContact O-CB 3.43Å |
| 323 | E | 77.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 8 Ų | 8 | 3% | 0.033 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | -21 | -171 | -71.9 | -80.2 | 173.7 | 0 | 0 | 112.2 | I226 L230 S321 N327 T493 | I226-E323 HydrophobicContact CG2-CG 4.18Å; L230-E323 HydrophobicContact CD1-CB 4.15Å; L230-E323 HydrophobicContact CD1-CG 3.4Å; S321-E323 PolarHBondContact O-N 3.4Å; E323-N327 PolarHBondContact O-ND2 2.98Å; E323-T493 HydrophobicContact CB-CG2 4.2Å; E323-T493 PolarHBondContact OE2-OG1 3.49Å |
| 324 | T | 85.6 | Confident | 86.9 | Confident | 32 Ų | 32 | 8 Ų | 8 | 20% | 0.196 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -56 | 178.2 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | G320 Q328 T384 T493 | G320-T324 PolarHBondContact O-N 2.79Å; G320-T324 PolarHBondContact O-OG1 3.3Å; T324-Q328 WeakPolarHBondContact O-CB 3.39Å; T324-Q328 PolarHBondContact O-N 2.9Å; T324-Q328 VanDerWaalsContact O-N 3.13Å; T324-T384 WeakPolarHBondContact O-CG2 3.31Å; T324-T493 HydrophobicContact CG2-CG2 4.33Å |
| 325 | T | 92.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.006 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.4 | -44 | 179.7 | -48.2 | 0 | 0 | 0 | 0 | 111.4 | T200 S321 N327 Q328 L329 A461 E464 A465 | T200-T325 HydrophobicContact CG2-CG2 4.45Å; S321-T325 WeakPolarHBondContact CA-OG1 3.5Å; S321-T325 WeakPolarHBondContact O-CA 3.3Å; S321-T325 VanDerWaalsContact O-CB 3.3Å; S321-T325 WeakPolarHBondContact O-CB 3.3Å; S321-T325 PolarHBondContact O-N 2.82Å; S321-T325 PolarHBondContact OG-OG1 2.89Å; T325-N327 PolarHBondContact O-N 3.29Å; T325-Q328 WeakPolarHBondContact O-CB 3.26Å; T325-Q328 PolarHBondContact O-N 2.76Å; T325-L329 HydrophobicContact CG2-CD1 3.99Å; T325-L329 HydrophobicContact CG2-CG 4.24Å; T325-L329 WeakPolarHBondContact O-CB 3.31Å; T325-L329 VanDerWaalsContact O-CG 3.3Å; T325-L329 WeakPolarHBondContact O-CG 3.47Å; T325-L329 PolarHBondContact O-N 3.28Å; T325-A461 WeakPolarHBondContact OG1-CB 3.49Å; T325-E464 WeakPolarHBondContact CB-OE2 3.5Å; T325-E464 HydrophobicContact CG2-CG 4.25Å; T325-E464 VanDerWaalsContact CG2-OE2 3.31Å; T325-E464 WeakPolarHBondContact CG2-OE2 3.23Å; T325-E464 PolarHBondContact OG1-OE2 3.32Å; T325-E464 VanDerWaalsContact OG1-OE2 3.06Å; T325-A465 HydrophobicContact CG2-CB 3.93Å |
| 326 | A | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V196 N197 T200 S321 Q322 Q328 L329 A330 | V196-A326 HydrophobicContact CG1-CB 3.94Å; N197-A326 HydrophobicContact CB-CB 4.46Å; N197-A326 WeakPolarHBondContact OD1-CB 3.39Å; T200-A326 HydrophobicContact CG2-CB 3.98Å; T200-A326 WeakPolarHBondContact OG1-CB 3.36Å; S321-A326 PolarHBondContact O-N 2.93Å; Q322-A326 WeakPolarHBondContact O-CB 3.43Å; A326-Q328 VanDerWaalsContact C-N 3.32Å; A326-Q328 PolarHBondContact O-N 3.41Å; A326-L329 PolarHBondContact O-N 3.01Å; A326-A330 WeakPolarHBondContact O-CB 3.39Å; A326-A330 PolarHBondContact O-N 3.03Å |
| 327 | N | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | 174.1 | -74.3 | -34.9 | 0 | 0 | 0 | 111 | L193 E323 T325 A330 F331 T384 L494 R495 | L193-N327 WeakPolarHBondContact CD1-OD1 3.44Å; E323-N327 PolarHBondContact O-ND2 2.98Å; T325-N327 PolarHBondContact O-N 3.29Å; N327-A330 PolarHBondContact O-N 2.84Å; N327-F331 WeakPolarHBondContact O-CD2 3.49Å; N327-F331 WeakPolarHBondContact O-CG 3.48Å; N327-F331 PolarHBondContact O-N 3.32Å; N327-T384 HydrophobicContact CB-CG2 3.73Å; N327-L494 WeakPolarHBondContact CB-O 3.32Å; N327-R495 HydrophobicContact CB-CB 4.42Å; N327-R495 WeakPolarHBondContact OD1-CB 3.36Å |
| 328 | Q | 95.7 | Very high | 88.1 | Confident | 10 Ų | 10 | 14.1 Ų | 14.1 | 5% | 0.047 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 172.6 | 178.1 | -171.1 | -2.3 | 0 | 0 | 111.3 | T324 T325 A326 F331 C332 L375 T378 L379 T384 | T324-Q328 WeakPolarHBondContact O-CB 3.39Å; T324-Q328 PolarHBondContact O-N 2.9Å; T324-Q328 VanDerWaalsContact O-N 3.13Å; T325-Q328 WeakPolarHBondContact O-CB 3.26Å; T325-Q328 PolarHBondContact O-N 2.76Å; A326-Q328 VanDerWaalsContact C-N 3.32Å; A326-Q328 PolarHBondContact O-N 3.41Å; Q328-F331 PolarHBondContact O-N 3.25Å; Q328-C332 WeakPolarHBondContact O-CB 3.49Å; Q328-C332 PolarHBondContact O-N 2.84Å; Q328-L375 PolarHBondContact NE2-O 3.44Å; Q328-L375 VanDerWaalsContact NE2-O 3.09Å; Q328-T378 HydrophobicContact CG-CG2 4.25Å; Q328-T378 WeakPolarHBondContact O-CG2 3.24Å; Q328-L379 HydrophobicContact CB-CD2 4.06Å; Q328-L379 VanDerWaalsContact CD-CG 3.49Å; Q328-L379 HydrophobicContact CG-CD2 3.73Å; Q328-L379 HydrophobicContact CG-CG 3.87Å; Q328-T384 HydrophobicContact CB-CG2 4.22Å |
| 329 | L | 96.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 178.7 | -73.6 | 174.8 | 0 | 0 | 0 | 111.9 | V196 T200 T325 A326 C332 I333 L375 A465 V468 M469 | V196-L329 HydrophobicContact CG1-CB 3.72Å; V196-L329 HydrophobicContact CG1-CD1 3.46Å; V196-L329 VanDerWaalsContact CG1-CD1 3.46Å; V196-L329 HydrophobicContact CG1-CG 4.23Å; T200-L329 HydrophobicContact CG2-CD1 4.22Å; T325-L329 HydrophobicContact CG2-CD1 3.99Å; T325-L329 HydrophobicContact CG2-CG 4.24Å; T325-L329 WeakPolarHBondContact O-CB 3.31Å; T325-L329 VanDerWaalsContact O-CG 3.3Å; T325-L329 WeakPolarHBondContact O-CG 3.47Å; T325-L329 PolarHBondContact O-N 3.28Å; A326-L329 PolarHBondContact O-N 3.01Å; L329-C332 VanDerWaalsContact O-CB 3.31Å; L329-C332 WeakPolarHBondContact O-CB 3.41Å; L329-C332 PolarHBondContact O-N 2.83Å; L329-C332 VanDerWaalsContact O-N 3.17Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.13Å; L329-I333 PolarHBondContact O-N 3.43Å; L329-L375 HydrophobicContact CD2-CD2 4.47Å; L329-A465 HydrophobicContact CD2-CB 3.95Å; L329-A465 HydrophobicContact CG-CB 4.41Å; L329-V468 HydrophobicContact CD1-CB 4.14Å; L329-V468 HydrophobicContact CD1-CG1 3.98Å; L329-M469 HydrophobicContact CD2-CG 3.31Å; L329-M469 HydrophobicContact CD2-SD 3.58Å; L329-M469 VanDerWaalsContact CD2-SD 3.58Å |
| 330 | A | 95.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L193 A326 N327 C332 I333 M334 P496 V500 | L193-A330 HydrophobicContact CB-CB 4.24Å; L193-A330 HydrophobicContact CD1-CB 3.6Å; L193-A330 HydrophobicContact CG-CB 4.49Å; A326-A330 WeakPolarHBondContact O-CB 3.39Å; A326-A330 PolarHBondContact O-N 3.03Å; N327-A330 PolarHBondContact O-N 2.84Å; A330-C332 VanDerWaalsContact C-N 3.29Å; A330-C332 PolarHBondContact O-N 3.23Å; A330-I333 PolarHBondContact O-N 2.96Å; A330-M334 WeakPolarHBondContact O-CB 3.23Å; A330-M334 PolarHBondContact O-N 3.44Å; A330-P496 HydrophobicContact CB-CG 4.07Å; A330-V500 HydrophobicContact CB-CG2 3.85Å |
| 331 | F | 96.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.7 | -38.9 | 172.7 | -74.5 | -57.8 | 0 | 0 | 0 | 112.3 | N327 Q328 M334 E335 T378 Y382 L488 L494 P496 | N327-F331 WeakPolarHBondContact O-CD2 3.49Å; N327-F331 WeakPolarHBondContact O-CG 3.48Å; N327-F331 PolarHBondContact O-N 3.32Å; Q328-F331 PolarHBondContact O-N 3.25Å; F331-M334 HydrophobicContact CD1-CE 3.67Å; F331-M334 HydrophobicContact CE1-CE 4.22Å; F331-M334 PolarHBondContact O-N 2.84Å; F331-E335 WeakPolarHBondContact O-CG 3.19Å; F331-E335 PolarHBondContact O-N 2.87Å; F331-T378 HydrophobicContact CB-CG2 3.61Å; F331-Y382 HydrophobicContact CB-CD2 3.82Å; F331-Y382 HydrophobicContact CB-CG 4.03Å; F331-Y382 AromaticContact CD1-CD1 3.76Å; F331-Y382 HydrophobicContact CD1-CD1 3.76Å; F331-Y382 AromaticContact CD1-CD2 3.94Å; F331-Y382 HydrophobicContact CD1-CD2 3.94Å; F331-Y382 HydrophobicContact CD1-CE1 4.19Å; F331-Y382 HydrophobicContact CD1-CE2 4.38Å; F331-Y382 AromaticContact CD1-CG 3.59Å; F331-Y382 HydrophobicContact CD1-CG 3.59Å; F331-Y382 AromaticContact CD2-CG 3.99Å; F331-Y382 HydrophobicContact CD2-CG 3.99Å; F331-Y382 AromaticContact CE1-CD1 3.71Å; F331-Y382 HydrophobicContact CE1-CD1 3.71Å; F331-Y382 HydrophobicContact CE1-CE1 4.18Å; F331-Y382 AromaticContact CE1-CG 3.98Å; F331-Y382 HydrophobicContact CE1-CG 3.98Å; F331-Y382 HydrophobicContact CE2-CG 4.32Å; F331-Y382 HydrophobicContact CG-CD1 4.22Å; F331-Y382 AromaticContact CG-CD2 3.92Å; F331-Y382 HydrophobicContact CG-CD2 3.92Å; F331-Y382 AromaticContact CG-CG 3.62Å; F331-Y382 HydrophobicContact CG-CG 3.62Å; F331-Y382 HydrophobicContact CZ-CD1 4.11Å; F331-Y382 HydrophobicContact CZ-CG 4.32Å; F331-L488 HydrophobicContact CE1-CD2 3.41Å; F331-L488 VanDerWaalsContact CE1-CD2 3.41Å; F331-L488 HydrophobicContact CZ-CD2 3.43Å; F331-L488 VanDerWaalsContact CZ-CD2 3.43Å; F331-L494 HydrophobicContact CE2-CB 4.45Å; F331-L494 WeakPolarHBondContact CE2-O 3.47Å; F331-P496 HydrophobicContact CD1-CG 3.74Å; F331-P496 HydrophobicContact CE1-CB 4.17Å; F331-P496 HydrophobicContact CE1-CG 3.61Å; F331-P496 HydrophobicContact CG-CG 4.25Å; F331-P496 HydrophobicContact CZ-CG 4.04Å |
| 332 | C | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.6 | -49.3 | 177.4 | -168 | 0 | 0 | 0 | 0 | 111.2 | Q328 L329 A330 M334 E335 L336 L375 T378 | Q328-C332 WeakPolarHBondContact O-CB 3.49Å; Q328-C332 PolarHBondContact O-N 2.84Å; L329-C332 VanDerWaalsContact O-CB 3.31Å; L329-C332 WeakPolarHBondContact O-CB 3.41Å; L329-C332 PolarHBondContact O-N 2.83Å; L329-C332 VanDerWaalsContact O-N 3.17Å; A330-C332 VanDerWaalsContact C-N 3.29Å; A330-C332 PolarHBondContact O-N 3.23Å; C332-M334 VanDerWaalsContact C-N 3.3Å; C332-M334 PolarHBondContact O-N 3.22Å; C332-E335 PolarHBondContact O-N 3.45Å; C332-L336 WeakPolarHBondContact O-CB 3.39Å; C332-L336 VanDerWaalsContact O-CG 3.26Å; C332-L336 WeakPolarHBondContact O-CG 3.3Å; C332-L336 PolarHBondContact O-N 3.39Å; C332-L375 HydrophobicContact CB-CD2 4.41Å; C332-T378 HydrophobicContact CB-CG2 4.04Å |
| 333 | I | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 176.8 | -67.6 | 163.3 | 0 | 0 | 0 | 110.4 | M192 V196 L329 A330 L336 A337 M469 L472 F478 V500 | M192-I333 HydrophobicContact CB-CD1 4.22Å; M192-I333 HydrophobicContact CE-CD1 3.83Å; M192-I333 HydrophobicContact CG-CG2 4.41Å; V196-I333 HydrophobicContact CG2-CD1 4.33Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.13Å; L329-I333 PolarHBondContact O-N 3.43Å; A330-I333 PolarHBondContact O-N 2.96Å; I333-L336 PolarHBondContact O-N 3.19Å; I333-A337 WeakPolarHBondContact O-CB 3.45Å; I333-A337 PolarHBondContact O-N 2.89Å; I333-M469 HydrophobicContact CG1-CE 4.12Å; I333-M469 HydrophobicContact CG1-SD 4.06Å; I333-L472 HydrophobicContact CD1-CD2 3.81Å; I333-L472 HydrophobicContact CG1-CD2 3.84Å; I333-F478 HydrophobicContact CB-CE2 4.43Å; I333-F478 HydrophobicContact CG2-CD2 3.88Å; I333-F478 HydrophobicContact CG2-CE2 3.7Å; I333-F478 HydrophobicContact CG2-CZ 4.34Å; I333-F478 WeakPolarHBondContact O-CE2 3.47Å; I333-V500 HydrophobicContact CB-CG1 4.36Å; I333-V500 HydrophobicContact CG2-CG1 3.84Å |
| 334 | M | 95 | Very high | 94.5 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 178.8 | -175.3 | -176.5 | 74 | 0 | 0 | 112.5 | A330 F331 C332 R338 L480 F486 P496 V500 | A330-M334 WeakPolarHBondContact O-CB 3.23Å; A330-M334 PolarHBondContact O-N 3.44Å; F331-M334 HydrophobicContact CD1-CE 3.67Å; F331-M334 HydrophobicContact CE1-CE 4.22Å; F331-M334 PolarHBondContact O-N 2.84Å; C332-M334 VanDerWaalsContact C-N 3.3Å; C332-M334 PolarHBondContact O-N 3.22Å; M334-R338 PolarHBondContact O-N 3.28Å; M334-L480 HydrophobicContact CG-CD1 4.16Å; M334-F486 HydrophobicContact CE-CD1 3.87Å; M334-F486 HydrophobicContact CG-CD1 3.63Å; M334-F486 HydrophobicContact CG-CE1 3.64Å; M334-F486 HydrophobicContact SD-CD1 3.63Å; M334-F486 HydrophobicContact SD-CE1 4.24Å; M334-F486 HydrophobicContact SD-CG 4.46Å; M334-P496 HydrophobicContact SD-CB 4.44Å; M334-V500 HydrophobicContact CB-CG2 4.3Å |
| 335 | E | 95.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.9 | -39.5 | 178 | -71.7 | -56.6 | 131.5 | 0 | 0 | 112.5 | F331 C332 A337 R338 H339 Y382 F429 | F331-E335 WeakPolarHBondContact O-CG 3.19Å; F331-E335 PolarHBondContact O-N 2.87Å; C332-E335 PolarHBondContact O-N 3.45Å; E335-A337 VanDerWaalsContact C-N 3.33Å; E335-A337 PolarHBondContact O-N 3.46Å; E335-R338 WeakPolarHBondContact O-CB 3.23Å; E335-R338 PolarHBondContact O-N 3.03Å; E335-H339 PolarHBondContact O-CD2 3.4Å; E335-H339 PolarHBondContact O-N 3.46Å; E335-H339 IonicContact OE2-CD2 3.29Å; E335-H339 IonicContact OE2-NE2 3.58Å; E335-Y382 HydrophobicContact CG-CD2 4.45Å; E335-Y382 HydrophobicContact CG-CE2 3.65Å; E335-Y382 PolarHBondContact OE1-OH 3.07Å; E335-F429 HydrophobicContact CB-CD1 4.45Å; E335-F429 HydrophobicContact CB-CD2 3.97Å; E335-F429 HydrophobicContact CB-CE1 4.33Å; E335-F429 HydrophobicContact CB-CE2 3.84Å; E335-F429 HydrophobicContact CB-CG 4.3Å; E335-F429 HydrophobicContact CB-CZ 4.04Å; E335-F429 HydrophobicContact CG-CD2 3.78Å; E335-F429 HydrophobicContact CG-CE2 3.9Å; E335-F429 HydrophobicContact CG-CG 4.39Å |
| 336 | L | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.5 | -73.4 | 176.9 | 0 | 0 | 0 | 111.9 | C332 I333 R338 H339 I342 L343 V346 V374 M469 L473 F478 | C332-L336 WeakPolarHBondContact O-CB 3.39Å; C332-L336 VanDerWaalsContact O-CG 3.26Å; C332-L336 WeakPolarHBondContact O-CG 3.3Å; C332-L336 PolarHBondContact O-N 3.39Å; I333-L336 PolarHBondContact O-N 3.19Å; L336-R338 PolarHBondContact O-N 2.82Å; L336-H339 CarbonylContact O-C 3.52Å; L336-H339 PolarHBondContact O-N 2.59Å; L336-H339 VanDerWaalsContact O-N 3.15Å; L336-I342 HydrophobicContact CD2-CG2 3.79Å; L336-L343 HydrophobicContact CB-CD1 4.27Å; L336-L343 HydrophobicContact CD1-CD1 4.49Å; L336-V346 HydrophobicContact CD1-CG1 4.45Å; L336-V346 HydrophobicContact CD2-CG1 4.01Å; L336-V374 HydrophobicContact CD1-CG1 4.49Å; L336-V374 HydrophobicContact CD2-CG1 3.92Å; L336-V374 HydrophobicContact CG-CG1 4.3Å; L336-M469 HydrophobicContact CD1-CE 3.68Å; L336-L473 HydrophobicContact CD1-CD2 4.33Å; L336-F478 HydrophobicContact CB-CE2 4.28Å; L336-F478 HydrophobicContact CB-CZ 4.08Å; L336-F478 HydrophobicContact CD1-CZ 4.37Å |
| 337 | A | 92.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 31.1 Ų | 31.1 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.5 | -20.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I333 E335 F478 L480 | I333-A337 WeakPolarHBondContact O-CB 3.45Å; I333-A337 PolarHBondContact O-N 2.89Å; E335-A337 VanDerWaalsContact C-N 3.33Å; E335-A337 PolarHBondContact O-N 3.46Å; A337-F478 HydrophobicContact CB-CD2 4.22Å; A337-F478 HydrophobicContact CB-CE2 4.09Å; A337-L480 HydrophobicContact CB-CB 4.43Å; A337-L480 HydrophobicContact CB-CD1 3.75Å; A337-L480 HydrophobicContact CB-CG 3.57Å |
| 338 | R | 91.9 | Very high | 95.6 | Very high | 130 Ų | 130 | 37.5 Ų | 37.5 | 49% | 0.491 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -86.4 | -22.5 | 175.3 | -175.3 | -179.2 | 175.5 | -167.3 | -1.9 | 112.7 | M334 E335 L336 P340 F486 | M334-R338 PolarHBondContact O-N 3.28Å; E335-R338 WeakPolarHBondContact O-CB 3.23Å; E335-R338 PolarHBondContact O-N 3.03Å; L336-R338 PolarHBondContact O-N 2.82Å; R338-P340 WeakPolarHBondContact O-CD 3.43Å; R338-F486 HydrophobicContact CB-CE1 4.35Å; R338-F486 HydrophobicContact CG-CZ 4.47Å |
| 339 | H | 95.2 | Very high | 95.6 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 15% | 0.153 | 19% | 0.187 | C | C | . | . | trans | -123.6 | 75.8 | -174.2 | -71.4 | -77.4 | 0 | 0 | 0 | 111.3 | E335 L336 E341 I342 L343 | E335-H339 PolarHBondContact O-CD2 3.4Å; E335-H339 PolarHBondContact O-N 3.46Å; E335-H339 IonicContact OE2-CD2 3.29Å; E335-H339 IonicContact OE2-NE2 3.58Å; L336-H339 CarbonylContact O-C 3.52Å; L336-H339 PolarHBondContact O-N 2.59Å; L336-H339 VanDerWaalsContact O-N 3.15Å; H339-E341 IonicContact CG-OE1 2.7Å; H339-E341 IonicContact ND1-OE1 3.89Å; H339-E341 PolarHBondContact ND1-OE1 3.41Å; H339-E341 PolarHBondContact O-N 2.73Å; H339-E341 VanDerWaalsContact O-N 3.15Å; H339-I342 HydrophobicContact CB-CB 4Å; H339-I342 HydrophobicContact CB-CD1 3.82Å; H339-I342 HydrophobicContact CB-CG1 4.05Å; H339-I342 PolarHBondContact O-N 3.33Å; H339-L343 PolarHBondContact O-N 2.86Å | ||
| 340 | P | 93.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 38.6 Ų | 38.6 | 47% | 0.474 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -53.3 | -35.6 | -179.8 | -25.7 | 34.7 | 0 | 0 | 0 | 113.3 | R338 I342 L343 D344 | R338-P340 WeakPolarHBondContact O-CD 3.43Å; P340-I342 VanDerWaalsContact C-N 3.31Å; P340-I342 PolarHBondContact O-N 3.46Å; P340-L343 PolarHBondContact O-N 3Å; P340-D344 WeakPolarHBondContact O-CB 3.32Å; P340-D344 VanDerWaalsContact O-CG 3.26Å; P340-D344 PolarHBondContact O-N 3.13Å |
| 341 | E | 96.1 | Very high | 95.6 | Very high | 115 Ų | 115 | 41.1 Ų | 41.1 | 54% | 0.537 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.5 | -35.1 | 178.2 | 69.5 | -72 | 174.8 | 0 | 0 | 113.2 | H339 K345 | H339-E341 IonicContact CG-OE1 2.7Å; H339-E341 IonicContact ND1-OE1 3.89Å; H339-E341 PolarHBondContact ND1-OE1 3.41Å; H339-E341 PolarHBondContact O-N 2.73Å; H339-E341 VanDerWaalsContact O-N 3.15Å; E341-K345 PolarHBondContact O-N 2.98Å |
| 342 | I | 97 | Very high | 95.5 | Very high | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -79 | -40.4 | 176.6 | -63.5 | 175.8 | 0 | 0 | 0 | 109.6 | L336 H339 P340 K345 V346 Y370 V374 F429 P431 | L336-I342 HydrophobicContact CD2-CG2 3.79Å; H339-I342 HydrophobicContact CB-CB 4Å; H339-I342 HydrophobicContact CB-CD1 3.82Å; H339-I342 HydrophobicContact CB-CG1 4.05Å; H339-I342 PolarHBondContact O-N 3.33Å; P340-I342 VanDerWaalsContact C-N 3.31Å; P340-I342 PolarHBondContact O-N 3.46Å; I342-K345 PolarHBondContact O-N 3.15Å; I342-V346 WeakPolarHBondContact O-CG1 3.17Å; I342-V346 PolarHBondContact O-N 3.47Å; I342-Y370 HydrophobicContact CG2-CE1 4.23Å; I342-V374 HydrophobicContact CG2-CG2 4.02Å; I342-F429 HydrophobicContact CD1-CD1 3.59Å; I342-F429 HydrophobicContact CD1-CE1 4.01Å; I342-F429 HydrophobicContact CG2-CE1 4.32Å; I342-P431 HydrophobicContact CD1-CG 4.09Å; I342-P431 HydrophobicContact CG2-CG 3.89Å |
| 343 | L | 96.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.7 | -50.7 | 174.8 | 178.5 | 57.8 | 0 | 0 | 0 | 110.8 | L336 H339 P340 K345 V346 T347 L473 F478 | L336-L343 HydrophobicContact CB-CD1 4.27Å; L336-L343 HydrophobicContact CD1-CD1 4.49Å; H339-L343 PolarHBondContact O-N 2.86Å; P340-L343 PolarHBondContact O-N 3Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 3.19Å; L343-V346 VanDerWaalsContact O-CG1 3.28Å; L343-V346 WeakPolarHBondContact O-CG1 3.02Å; L343-V346 PolarHBondContact O-N 2.95Å; L343-T347 WeakPolarHBondContact O-CB 3.32Å; L343-T347 PolarHBondContact O-N 3.29Å; L343-T347 PolarHBondContact O-OG1 3.48Å; L343-L473 HydrophobicContact CD1-CD2 3.4Å; L343-L473 VanDerWaalsContact CD1-CD2 3.4Å; L343-F478 HydrophobicContact CD1-CE1 4.25Å; L343-F478 HydrophobicContact CD1-CZ 4.02Å |
| 344 | D | 95.4 | Very high | 95.2 | Very high | 112 Ų | 112 | 48.7 Ų | 48.7 | 60% | 0.599 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.5 | -41.6 | 178.5 | -70.9 | -15.9 | 0 | 0 | 0 | 111.9 | P340 K348 | P340-D344 WeakPolarHBondContact O-CB 3.32Å; P340-D344 VanDerWaalsContact O-CG 3.26Å; P340-D344 PolarHBondContact O-N 3.13Å; D344-K348 WeakPolarHBondContact O-CB 3.4Å; D344-K348 PolarHBondContact O-N 3.34Å |
| 345 | K | 96.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 49.9 Ų | 49.9 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 179.3 | -174.4 | 174.5 | 167.7 | -169.1 | 0 | 112.3 | E341 I342 L343 E349 Y370 D432 | E341-K345 PolarHBondContact O-N 2.98Å; I342-K345 PolarHBondContact O-N 3.15Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 3.19Å; K345-E349 PolarHBondContact O-N 3.29Å; K345-Y370 HydrophobicContact CB-CD1 4.38Å; K345-Y370 HydrophobicContact CB-CE1 3.76Å; K345-Y370 HydrophobicContact CD-CD1 4.34Å; K345-Y370 HydrophobicContact CD-CD2 4.47Å; K345-Y370 HydrophobicContact CD-CE1 3.72Å; K345-Y370 HydrophobicContact CD-CE2 3.89Å; K345-Y370 VanDerWaalsContact CD-CZ 3.47Å; K345-Y370 VanDerWaalsContact CE-CE2 3.42Å; K345-Y370 HydrophobicContact CG-CD1 3.89Å; K345-Y370 HydrophobicContact CG-CE1 3.54Å; K345-Y370 HydrophobicContact CG-CE2 4.48Å; K345-Y370 HydrophobicContact CG-CG 4.49Å; K345-D432 IonicContact NZ-OD1 2.76Å; K345-D432 PolarHBondContact NZ-OD1 3.33Å; K345-D432 IonicContact NZ-OD2 3.13Å; K345-D432 PolarHBondContact NZ-OD2 2.99Å |
| 346 | V | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.9 | -36.7 | 178.3 | 71 | 0 | 0 | 0 | 0 | 112.1 | L336 I342 L343 K348 E349 V350 Y370 L371 V374 L473 | L336-V346 HydrophobicContact CD1-CG1 4.45Å; L336-V346 HydrophobicContact CD2-CG1 4.01Å; I342-V346 WeakPolarHBondContact O-CG1 3.17Å; I342-V346 PolarHBondContact O-N 3.47Å; L343-V346 VanDerWaalsContact O-CG1 3.28Å; L343-V346 WeakPolarHBondContact O-CG1 3.02Å; L343-V346 PolarHBondContact O-N 2.95Å; V346-K348 VanDerWaalsContact C-N 3.35Å; V346-E349 PolarHBondContact O-N 3.36Å; V346-V350 WeakPolarHBondContact O-CG2 3.38Å; V346-V350 PolarHBondContact O-N 2.86Å; V346-Y370 HydrophobicContact CB-CD1 3.77Å; V346-Y370 HydrophobicContact CB-CE1 4.01Å; V346-Y370 HydrophobicContact CG2-CD1 4.2Å; V346-L371 HydrophobicContact CG2-CB 3.82Å; V346-L371 HydrophobicContact CG2-CD1 3.82Å; V346-L371 HydrophobicContact CG2-CG 4.41Å; V346-V374 HydrophobicContact CB-CG2 4.44Å; V346-V374 HydrophobicContact CG2-CG2 4.41Å; V346-L473 HydrophobicContact CG1-CD1 3.87Å; V346-L473 HydrophobicContact CG1-CD2 4.28Å; V346-L473 HydrophobicContact CG2-CD1 3.95Å |
| 347 | T | 95.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 175.6 | -65.1 | 0 | 0 | 0 | 0 | 110.7 | L343 E349 V350 D351 R507 | L343-T347 WeakPolarHBondContact O-CB 3.32Å; L343-T347 PolarHBondContact O-N 3.29Å; L343-T347 PolarHBondContact O-OG1 3.48Å; T347-E349 PolarHBondContact O-N 3.02Å; T347-V350 WeakPolarHBondContact O-CB 3.09Å; T347-V350 PolarHBondContact O-N 2.94Å; T347-V350 VanDerWaalsContact O-N 3.12Å; T347-D351 VanDerWaalsContact O-CG 3.24Å; T347-D351 PolarHBondContact O-N 3.16Å; T347-R507 VanDerWaalsContact CG2-NH2 3.29Å |
| 348 | K | 95.9 | Very high | 93.7 | Very high | 134 Ų | 134 | 67.9 Ų | 67.9 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.7 | -42.4 | 174.7 | -174.3 | 176.2 | 179.8 | 178.6 | 0 | 112.9 | D344 V346 V350 D351 D352 | D344-K348 WeakPolarHBondContact O-CB 3.4Å; D344-K348 PolarHBondContact O-N 3.34Å; V346-K348 VanDerWaalsContact C-N 3.35Å; K348-V350 VanDerWaalsContact C-N 3.32Å; K348-V350 PolarHBondContact O-N 2.98Å; K348-D351 PolarHBondContact O-N 3.37Å; K348-D352 WeakPolarHBondContact O-CB 3.25Å; K348-D352 VanDerWaalsContact O-CG 3.27Å; K348-D352 PolarHBondContact O-N 3.5Å |
| 349 | E | 96.8 | Very high | 93.7 | Very high | 33 Ų | 33 | 68.7 Ų | 68.7 | 15% | 0.154 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 174.1 | 177.8 | -176.9 | -114.2 | 0 | 0 | 111.6 | K345 V346 T347 D351 D352 V353 L368 V369 Y370 L371 | K345-E349 PolarHBondContact O-N 3.29Å; V346-E349 PolarHBondContact O-N 3.36Å; T347-E349 PolarHBondContact O-N 3.02Å; E349-D351 VanDerWaalsContact C-N 3.31Å; E349-D351 PolarHBondContact O-N 3.5Å; E349-D352 PolarHBondContact O-N 3.35Å; E349-V353 HydrophobicContact CG-CG2 4.3Å; E349-V353 WeakPolarHBondContact O-CB 3.37Å; E349-V353 WeakPolarHBondContact O-CG2 3.27Å; E349-V353 PolarHBondContact O-N 3.01Å; E349-L368 HydrophobicContact CG-CD2 4.22Å; E349-V369 PolarHBondContact OE1-N 3.06Å; E349-Y370 VanDerWaalsContact CD-N 3.29Å; E349-Y370 WeakPolarHBondContact OE1-CB 3.14Å; E349-Y370 PolarHBondContact OE1-N 2.67Å; E349-Y370 WeakPolarHBondContact OE2-CA 3.44Å; E349-Y370 WeakPolarHBondContact OE2-CB 3.13Å; E349-Y370 PolarHBondContact OE2-N 2.75Å; E349-Y370 VanDerWaalsContact OE2-N 3.09Å; E349-L371 PolarHBondContact OE2-N 2.81Å |
| 350 | V | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.5 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | V346 T347 K348 I354 L368 A470 L473 Q474 | V346-V350 WeakPolarHBondContact O-CG2 3.38Å; V346-V350 PolarHBondContact O-N 2.86Å; T347-V350 WeakPolarHBondContact O-CB 3.09Å; T347-V350 PolarHBondContact O-N 2.94Å; T347-V350 VanDerWaalsContact O-N 3.12Å; K348-V350 VanDerWaalsContact C-N 3.32Å; K348-V350 PolarHBondContact O-N 2.98Å; V350-I354 HydrophobicContact CG1-CB 4.44Å; V350-I354 HydrophobicContact CG1-CG1 4.23Å; V350-I354 WeakPolarHBondContact O-CA 3.28Å; V350-I354 VanDerWaalsContact O-CB 3.23Å; V350-I354 WeakPolarHBondContact O-CB 3.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 2.94Å; V350-L368 HydrophobicContact CG2-CD2 4.12Å; V350-A470 WeakPolarHBondContact CG1-O 3.17Å; V350-L473 HydrophobicContact CG1-CB 4.41Å; V350-L473 HydrophobicContact CG2-CB 4.25Å; V350-L473 HydrophobicContact CG2-CD1 4.09Å; V350-Q474 HydrophobicContact CG1-CB 4Å |
| 351 | D | 94.6 | Very high | 93.6 | Very high | 53 Ų | 53 | 66 Ų | 66 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 176.9 | -61.5 | -29.3 | 0 | 0 | 0 | 112.4 | T347 K348 E349 V353 G355 R507 | T347-D351 VanDerWaalsContact O-CG 3.24Å; T347-D351 PolarHBondContact O-N 3.16Å; K348-D351 PolarHBondContact O-N 3.37Å; E349-D351 VanDerWaalsContact C-N 3.31Å; E349-D351 PolarHBondContact O-N 3.5Å; D351-V353 VanDerWaalsContact C-N 3.32Å; D351-V353 PolarHBondContact O-N 3.13Å; D351-G355 WeakPolarHBondContact O-CA 3.45Å; D351-G355 PolarHBondContact O-N 2.82Å; D351-R507 IonicContact OD1-CZ 2.74Å; D351-R507 IonicContact OD1-NH1 2.72Å; D351-R507 PolarHBondContact OD1-NH1 3.26Å; D351-R507 IonicContact OD1-NH2 3.63Å; D351-R507 IonicContact OD2-CZ 3.09Å; D351-R507 IonicContact OD2-NH1 2.86Å; D351-R507 PolarHBondContact OD2-NH1 3.1Å; D351-R507 IonicContact OD2-NH2 2.93Å; D351-R507 PolarHBondContact OD2-NH2 3.31Å |
| 352 | D | 94.9 | Very high | 93.4 | Very high | 125 Ų | 125 | 63.7 Ų | 63.7 | 67% | 0.668 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.7 | -35.6 | -178.4 | -71.4 | -21.4 | 0 | 0 | 0 | 111.7 | K348 E349 | K348-D352 WeakPolarHBondContact O-CB 3.25Å; K348-D352 VanDerWaalsContact O-CG 3.27Å; K348-D352 PolarHBondContact O-N 3.5Å; E349-D352 PolarHBondContact O-N 3.35Å |
| 353 | V | 94.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 68.2 Ų | 68.2 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -91.1 | -45.7 | -175.2 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | E349 D351 D364 K367 L368 | E349-V353 HydrophobicContact CG-CG2 4.3Å; E349-V353 WeakPolarHBondContact O-CB 3.37Å; E349-V353 WeakPolarHBondContact O-CG2 3.27Å; E349-V353 PolarHBondContact O-N 3.01Å; D351-V353 VanDerWaalsContact C-N 3.32Å; D351-V353 PolarHBondContact O-N 3.13Å; V353-D364 HydrophobicContact CG1-CB 4.42Å; V353-K367 HydrophobicContact CG1-CB 3.61Å; V353-K367 HydrophobicContact CG1-CD 4.09Å; V353-K367 HydrophobicContact CG2-CB 4.02Å; V353-L368 HydrophobicContact CB-CD2 3.91Å; V353-L368 HydrophobicContact CG1-CD2 3.97Å; V353-L368 HydrophobicContact CG1-CG 4.26Å; V353-L368 HydrophobicContact CG2-CD2 4.29Å |
| 354 | I | 93.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -95.7 | -37.7 | -173.3 | -50 | -61.6 | 0 | 0 | 0 | 110.7 | V350 M356 K357 I360 D364 L368 | V350-I354 HydrophobicContact CG1-CB 4.44Å; V350-I354 HydrophobicContact CG1-CG1 4.23Å; V350-I354 WeakPolarHBondContact O-CA 3.28Å; V350-I354 VanDerWaalsContact O-CB 3.23Å; V350-I354 WeakPolarHBondContact O-CB 3.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 2.94Å; I354-M356 PolarHBondContact O-N 2.89Å; I354-K357 HydrophobicContact CG2-CB 4.07Å; I354-K357 VanDerWaalsContact O-CB 3.29Å; I354-K357 WeakPolarHBondContact O-CB 3.27Å; I354-K357 VanDerWaalsContact O-CG 3.26Å; I354-K357 WeakPolarHBondContact O-CG 3.3Å; I354-K357 PolarHBondContact O-N 3.31Å; I354-K357 VanDerWaalsContact O-N 3.07Å; I354-I360 HydrophobicContact CD1-CD1 4.42Å; I354-I360 HydrophobicContact CD1-CG1 4.32Å; I354-I360 HydrophobicContact CD1-CG2 4.07Å; I354-I360 HydrophobicContact CG2-CD1 4.42Å; I354-I360 HydrophobicContact CG2-CG1 4.16Å; I354-D364 HydrophobicContact CD1-CB 3.78Å; I354-L368 HydrophobicContact CD1-CD1 4.22Å; I354-L368 HydrophobicContact CD1-CD2 4.47Å; I354-L368 HydrophobicContact CG1-CD2 4.26Å |
| 355 | G | 88.6 | Confident | 93.1 | Very high | 30 Ų | 30 | 62 Ų | 62 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | -124.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D351 Q474 | D351-G355 WeakPolarHBondContact O-CA 3.45Å; D351-G355 PolarHBondContact O-N 2.82Å; G355-Q474 PolarHBondContact O-NE2 2.82Å |
| 356 | M | 86 | Confident | 92.9 | Very high | 192 Ų | 192 | 60.1 Ų | 60.1 | 95% | 0.946 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 11.2 | 179 | -64.3 | -66.1 | -175.8 | 0 | 0 | 113.8 | I354 Q358 | I354-M356 PolarHBondContact O-N 2.89Å; M356-Q358 PolarHBondContact O-N 3.29Å |
| 357 | K | 88.5 | Confident | 92.8 | Very high | 92 Ų | 92 | 65.6 Ų | 65.6 | 40% | 0.4 | 34% | 0.342 | S | S | . | . | trans | -64.9 | 129.4 | -179.6 | -69.9 | 173.9 | 177.5 | 175.7 | 0 | 110.7 | I354 D364 Q474 | I354-K357 HydrophobicContact CG2-CB 4.07Å; I354-K357 VanDerWaalsContact O-CB 3.29Å; I354-K357 WeakPolarHBondContact O-CB 3.27Å; I354-K357 VanDerWaalsContact O-CG 3.26Å; I354-K357 WeakPolarHBondContact O-CG 3.3Å; I354-K357 PolarHBondContact O-N 3.31Å; I354-K357 VanDerWaalsContact O-N 3.07Å; K357-D364 VanDerWaalsContact NZ-CG 3.28Å; K357-D364 IonicContact NZ-OD1 3.31Å; K357-D364 PolarHBondContact NZ-OD1 3.33Å; K357-D364 IonicContact NZ-OD2 3.96Å; K357-D364 PolarHBondContact NZ-OD2 3.5Å; K357-Q474 PolarHBondContact O-NE2 2.93Å | ||
| 358 | Q | 83.9 | Confident | 92.8 | Very high | 122 Ų | 122 | 65 Ų | 65 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -81 | -39 | 172.5 | -167.2 | 171.9 | 9.8 | 0 | 0 | 111.7 | E174 M356 K471 | E174-Q358 PolarHBondContact OE1-NE2 3.06Å; M356-Q358 PolarHBondContact O-N 3.29Å; Q358-K471 PolarHBondContact O-NZ 2.91Å |
| 359 | E | 91.1 | Very high | 92.8 | Very high | 147 Ų | 147 | 61.6 Ų | 61.6 | 69% | 0.687 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -98.1 | 122.8 | 175.8 | -66.2 | -164.3 | 158.6 | 0 | 0 | 111.3 | ||
| 360 | I | 93.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 119.1 | 176.2 | -58.4 | -178.1 | 0 | 0 | 0 | 108.6 | M166 N170 I354 D364 L365 A470 K471 | M166-I360 WeakPolarHBondContact CE-O 3.31Å; N170-I360 PolarHBondContact ND2-O 3.18Å; N170-I360 PolarHBondContact OD1-N 3Å; I354-I360 HydrophobicContact CD1-CD1 4.42Å; I354-I360 HydrophobicContact CD1-CG1 4.32Å; I354-I360 HydrophobicContact CD1-CG2 4.07Å; I354-I360 HydrophobicContact CG2-CD1 4.42Å; I354-I360 HydrophobicContact CG2-CG1 4.16Å; I360-D364 HydrophobicContact CG2-CB 4.19Å; I360-L365 HydrophobicContact CG2-CD2 3.5Å; I360-L365 VanDerWaalsContact CG2-CD2 3.5Å; I360-L365 HydrophobicContact CG2-CG 4.1Å; I360-A470 HydrophobicContact CD1-CB 3.64Å; I360-K471 HydrophobicContact CD1-CG 3.81Å |
| 361 | S | 93.8 | Very high | 92.9 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 161.9 | 174.8 | 74.6 | 0 | 0 | 0 | 0 | 111.6 | D363 D364 L365 | S361-D363 VanDerWaalsContact C-N 3.26Å; S361-D363 PolarHBondContact O-N 3Å; S361-D364 PolarHBondContact N-OD2 2.92Å; S361-D364 PolarHBondContact O-N 3.49Å; S361-D364 PolarHBondContact OG-N 2.93Å; S361-D364 PolarHBondContact OG-OD2 2.9Å; S361-L365 PolarHBondContact O-N 3.07Å |
| 362 | Y | 92.9 | Very high | 93 | Very high | 66 Ų | 66 | 59.3 Ų | 59.3 | 26% | 0.259 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 174.6 | 178.8 | -92.5 | 0 | 0 | 0 | 112.7 | T159 R163 D364 L365 G366 M463 | T159-Y362 HydrophobicContact CG2-CE1 4.48Å; T159-Y362 HydrophobicContact CG2-CE2 4.05Å; T159-Y362 VanDerWaalsContact CG2-OH 3.27Å; T159-Y362 WeakPolarHBondContact CG2-OH 3.01Å; R163-Y362 HydrophobicContact CG-CD1 3.92Å; R163-Y362 HydrophobicContact CG-CD2 3.7Å; R163-Y362 HydrophobicContact CG-CE1 4.43Å; R163-Y362 HydrophobicContact CG-CE2 4.24Å; R163-Y362 HydrophobicContact CG-CG 3.51Å; Y362-D364 VanDerWaalsContact C-N 3.3Å; Y362-D364 PolarHBondContact O-N 3.25Å; Y362-L365 HydrophobicContact CD2-CD1 4.49Å; Y362-L365 WeakPolarHBondContact O-CB 3.33Å; Y362-L365 PolarHBondContact O-N 3.46Å; Y362-G366 PolarHBondContact O-N 2.92Å; Y362-M463 HydrophobicContact CD2-CE 3.88Å; Y362-M463 HydrophobicContact CD2-SD 4.27Å; Y362-M463 HydrophobicContact CE2-CE 3.34Å; Y362-M463 HydrophobicContact CE2-CG 4.37Å; Y362-M463 HydrophobicContact CE2-SD 4.22Å |
| 363 | D | 93.3 | Very high | 93.1 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 57% | 0.572 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -69.4 | -32.3 | -179.1 | -65.2 | -23.6 | 0 | 0 | 0 | 111.5 | S361 G366 K367 | S361-D363 VanDerWaalsContact C-N 3.26Å; S361-D363 PolarHBondContact O-N 3Å; D363-G366 PolarHBondContact O-N 3.49Å; D363-K367 PolarHBondContact O-N 3.28Å |
| 364 | D | 94 | Very high | 93.2 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 172.5 | -63 | -40.9 | 0 | 0 | 0 | 111.1 | V353 I354 K357 I360 S361 Y362 G366 K367 L368 | V353-D364 HydrophobicContact CG1-CB 4.42Å; I354-D364 HydrophobicContact CD1-CB 3.78Å; K357-D364 VanDerWaalsContact NZ-CG 3.28Å; K357-D364 IonicContact NZ-OD1 3.31Å; K357-D364 PolarHBondContact NZ-OD1 3.33Å; K357-D364 IonicContact NZ-OD2 3.96Å; K357-D364 PolarHBondContact NZ-OD2 3.5Å; I360-D364 HydrophobicContact CG2-CB 4.19Å; S361-D364 PolarHBondContact N-OD2 2.92Å; S361-D364 PolarHBondContact O-N 3.49Å; S361-D364 PolarHBondContact OG-N 2.93Å; S361-D364 PolarHBondContact OG-OD2 2.9Å; Y362-D364 VanDerWaalsContact C-N 3.3Å; Y362-D364 PolarHBondContact O-N 3.25Å; D364-G366 PolarHBondContact O-N 3.36Å; D364-K367 PolarHBondContact O-N 3Å; D364-K367 IonicContact OD1-NZ 3.16Å; D364-L368 PolarHBondContact O-N 2.89Å |
| 365 | L | 93.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.8 | -28.7 | 173.7 | -58.3 | -176.2 | 0 | 0 | 0 | 113.2 | M166 I360 S361 Y362 K367 L368 M463 K466 V467 | M166-L365 HydrophobicContact CE-CD1 3.85Å; M166-L365 HydrophobicContact CE-CG 4.4Å; M166-L365 HydrophobicContact SD-CD1 4.05Å; I360-L365 HydrophobicContact CG2-CD2 3.5Å; I360-L365 VanDerWaalsContact CG2-CD2 3.5Å; I360-L365 HydrophobicContact CG2-CG 4.1Å; S361-L365 PolarHBondContact O-N 3.07Å; Y362-L365 HydrophobicContact CD2-CD1 4.49Å; Y362-L365 WeakPolarHBondContact O-CB 3.33Å; Y362-L365 PolarHBondContact O-N 3.46Å; L365-K367 VanDerWaalsContact C-N 3.32Å; L365-L368 HydrophobicContact CD2-CD1 4.35Å; L365-M463 HydrophobicContact CD1-CB 4.18Å; L365-M463 HydrophobicContact CD1-CG 4.15Å; L365-K466 HydrophobicContact CB-CD 4.21Å; L365-K466 HydrophobicContact CD2-CB 3.8Å; L365-K466 PolarHBondContact O-NZ 3.24Å; L365-V467 HydrophobicContact CD1-CG2 4.1Å; L365-V467 HydrophobicContact CD2-CG2 3.88Å |
| 366 | G | 92.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 56% | 0.557 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -69.8 | -28.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y362 D363 D364 | Y362-G366 PolarHBondContact O-N 2.92Å; D363-G366 PolarHBondContact O-N 3.49Å; D364-G366 PolarHBondContact O-N 3.36Å |
| 367 | K | 95.4 | Very high | 94.3 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 50% | 0.504 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -84.7 | -20 | -179.4 | -62.8 | 170.7 | -171 | 165.7 | 0 | 113.5 | V353 D363 D364 L365 V369 | V353-K367 HydrophobicContact CG1-CB 3.61Å; V353-K367 HydrophobicContact CG1-CD 4.09Å; V353-K367 HydrophobicContact CG2-CB 4.02Å; D363-K367 PolarHBondContact O-N 3.28Å; D364-K367 PolarHBondContact O-N 3Å; D364-K367 IonicContact OD1-NZ 3.16Å; L365-K367 VanDerWaalsContact C-N 3.32Å; K367-V369 PolarHBondContact O-N 3.33Å |
| 368 | L | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -74.7 | 68.6 | 174.9 | -63 | 175.5 | 0 | 0 | 0 | 111.2 | E349 V350 V353 I354 D364 L365 L371 S372 A470 | E349-L368 HydrophobicContact CG-CD2 4.22Å; V350-L368 HydrophobicContact CG2-CD2 4.12Å; V353-L368 HydrophobicContact CB-CD2 3.91Å; V353-L368 HydrophobicContact CG1-CD2 3.97Å; V353-L368 HydrophobicContact CG1-CG 4.26Å; V353-L368 HydrophobicContact CG2-CD2 4.29Å; I354-L368 HydrophobicContact CD1-CD1 4.22Å; I354-L368 HydrophobicContact CD1-CD2 4.47Å; I354-L368 HydrophobicContact CG1-CD2 4.26Å; D364-L368 PolarHBondContact O-N 2.89Å; L365-L368 HydrophobicContact CD2-CD1 4.35Å; L368-L371 HydrophobicContact CB-CB 4.14Å; L368-L371 HydrophobicContact CB-CD2 4.38Å; L368-L371 HydrophobicContact CD1-CD2 3.95Å; L368-S372 PolarHBondContact O-N 2.98Å; L368-S372 PolarHBondContact O-OG 3.24Å; L368-A470 HydrophobicContact CD1-CB 3.85Å | ||
| 369 | V | 95.8 | Very high | 95.2 | Very high | 61 Ų | 61 | 35.3 Ų | 35.3 | 37% | 0.37 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -76 | -43.4 | -172.2 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | E349 K367 S372 Q373 P436 | E349-V369 PolarHBondContact OE1-N 3.06Å; K367-V369 PolarHBondContact O-N 3.33Å; V369-S372 VanDerWaalsContact O-CB 3.25Å; V369-S372 WeakPolarHBondContact O-CB 3.1Å; V369-S372 PolarHBondContact O-N 3.18Å; V369-Q373 WeakPolarHBondContact O-CG 3.42Å; V369-Q373 PolarHBondContact O-N 3.29Å; V369-Q373 VanDerWaalsContact O-N 3.14Å; V369-P436 HydrophobicContact CG1-CG 4.09Å |
| 370 | Y | 97.3 | Very high | 95.5 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 7% | 0.067 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.6 | -40.5 | 178.7 | -168 | -111.6 | 0 | 0 | 0 | 111.9 | I342 K345 V346 E349 S372 Q373 V374 P431 D432 | I342-Y370 HydrophobicContact CG2-CE1 4.23Å; K345-Y370 HydrophobicContact CB-CD1 4.38Å; K345-Y370 HydrophobicContact CB-CE1 3.76Å; K345-Y370 HydrophobicContact CD-CD1 4.34Å; K345-Y370 HydrophobicContact CD-CD2 4.47Å; K345-Y370 HydrophobicContact CD-CE1 3.72Å; K345-Y370 HydrophobicContact CD-CE2 3.89Å; K345-Y370 VanDerWaalsContact CD-CZ 3.47Å; K345-Y370 VanDerWaalsContact CE-CE2 3.42Å; K345-Y370 HydrophobicContact CG-CD1 3.89Å; K345-Y370 HydrophobicContact CG-CE1 3.54Å; K345-Y370 HydrophobicContact CG-CE2 4.48Å; K345-Y370 HydrophobicContact CG-CG 4.49Å; V346-Y370 HydrophobicContact CB-CD1 3.77Å; V346-Y370 HydrophobicContact CB-CE1 4.01Å; V346-Y370 HydrophobicContact CG2-CD1 4.2Å; E349-Y370 VanDerWaalsContact CD-N 3.29Å; E349-Y370 WeakPolarHBondContact OE1-CB 3.14Å; E349-Y370 PolarHBondContact OE1-N 2.67Å; E349-Y370 WeakPolarHBondContact OE2-CA 3.44Å; E349-Y370 WeakPolarHBondContact OE2-CB 3.13Å; E349-Y370 PolarHBondContact OE2-N 2.75Å; E349-Y370 VanDerWaalsContact OE2-N 3.09Å; Y370-S372 PolarHBondContact O-N 3.27Å; Y370-Q373 HydrophobicContact CD2-CB 4.44Å; Y370-Q373 WeakPolarHBondContact O-CA 3.06Å; Y370-Q373 VanDerWaalsContact O-CB 3.27Å; Y370-Q373 WeakPolarHBondContact O-CB 3.44Å; Y370-Q373 PolarHBondContact O-N 2.8Å; Y370-V374 HydrophobicContact CD1-CG2 4.22Å; Y370-V374 HydrophobicContact CE1-CG2 3.97Å; Y370-V374 WeakPolarHBondContact O-CG2 3.29Å; Y370-V374 PolarHBondContact O-N 3.3Å; Y370-P431 HydrophobicContact CE2-CB 3.83Å; Y370-D432 WeakPolarHBondContact CE2-OD1 3.36Å |
| 371 | L | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.5 | -37.4 | 169.9 | 180 | 61.2 | 0 | 0 | 0 | 111.5 | V346 E349 L368 Q373 V374 L375 K466 M469 A470 L473 | V346-L371 HydrophobicContact CG2-CB 3.82Å; V346-L371 HydrophobicContact CG2-CD1 3.82Å; V346-L371 HydrophobicContact CG2-CG 4.41Å; E349-L371 PolarHBondContact OE2-N 2.81Å; L368-L371 HydrophobicContact CB-CB 4.14Å; L368-L371 HydrophobicContact CB-CD2 4.38Å; L368-L371 HydrophobicContact CD1-CD2 3.95Å; L371-Q373 VanDerWaalsContact C-N 3.28Å; L371-Q373 PolarHBondContact O-N 3.44Å; L371-V374 PolarHBondContact O-N 2.75Å; L371-L375 HydrophobicContact CD1-CD1 4.49Å; L371-L375 HydrophobicContact CD1-CG 4.37Å; L371-L375 HydrophobicContact CG-CD1 4.24Å; L371-L375 WeakPolarHBondContact O-CB 3.19Å; L371-L375 VanDerWaalsContact O-CG 3.32Å; L371-L375 WeakPolarHBondContact O-CG 3.09Å; L371-L375 PolarHBondContact O-N 2.83Å; L371-K466 HydrophobicContact CD2-CB 4.4Å; L371-K466 HydrophobicContact CD2-CG 4.38Å; L371-M469 HydrophobicContact CD1-CB 3.88Å; L371-M469 HydrophobicContact CD1-CG 4.49Å; L371-M469 HydrophobicContact CD2-CB 4.22Å; L371-A470 HydrophobicContact CD2-CB 4.25Å; L371-L473 HydrophobicContact CD1-CD1 4.16Å |
| 372 | S | 96.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 15% | 0.147 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -34.2 | 173.5 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | L368 V369 Y370 K376 K466 | L368-S372 PolarHBondContact O-N 2.98Å; L368-S372 PolarHBondContact O-OG 3.24Å; V369-S372 VanDerWaalsContact O-CB 3.25Å; V369-S372 WeakPolarHBondContact O-CB 3.1Å; V369-S372 PolarHBondContact O-N 3.18Å; Y370-S372 PolarHBondContact O-N 3.27Å; S372-K376 WeakPolarHBondContact O-CD 3.4Å; S372-K376 WeakPolarHBondContact O-CG 3.13Å; S372-K376 PolarHBondContact O-N 3.34Å; S372-K466 WeakPolarHBondContact OG-CE 3.05Å; S372-K466 PolarHBondContact OG-NZ 3.03Å |
| 373 | Q | 96.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.8 | -47.5 | 176.6 | -69.7 | 173.7 | 58.5 | 0 | 0 | 110.8 | V369 Y370 L371 L375 K376 E377 P431 F434 | V369-Q373 WeakPolarHBondContact O-CG 3.42Å; V369-Q373 PolarHBondContact O-N 3.29Å; V369-Q373 VanDerWaalsContact O-N 3.14Å; Y370-Q373 HydrophobicContact CD2-CB 4.44Å; Y370-Q373 WeakPolarHBondContact O-CA 3.06Å; Y370-Q373 VanDerWaalsContact O-CB 3.27Å; Y370-Q373 WeakPolarHBondContact O-CB 3.44Å; Y370-Q373 PolarHBondContact O-N 2.8Å; L371-Q373 VanDerWaalsContact C-N 3.28Å; L371-Q373 PolarHBondContact O-N 3.44Å; Q373-L375 PolarHBondContact O-N 3.29Å; Q373-K376 PolarHBondContact O-N 3.18Å; Q373-K376 VanDerWaalsContact O-N 3.13Å; Q373-E377 PolarHBondContact O-N 3.46Å; Q373-P431 HydrophobicContact CB-CB 4.01Å; Q373-P431 WeakPolarHBondContact CB-O 3.15Å; Q373-P431 PolarHBondContact OE1-O 3.5Å; Q373-F434 HydrophobicContact CB-CB 4.27Å; Q373-F434 HydrophobicContact CG-CB 4.12Å |
| 374 | V | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.3 | -51.2 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | L336 I342 V346 Y370 L371 K376 E377 T378 F429 P431 | L336-V374 HydrophobicContact CD1-CG1 4.49Å; L336-V374 HydrophobicContact CD2-CG1 3.92Å; L336-V374 HydrophobicContact CG-CG1 4.3Å; I342-V374 HydrophobicContact CG2-CG2 4.02Å; V346-V374 HydrophobicContact CB-CG2 4.44Å; V346-V374 HydrophobicContact CG2-CG2 4.41Å; Y370-V374 HydrophobicContact CD1-CG2 4.22Å; Y370-V374 HydrophobicContact CE1-CG2 3.97Å; Y370-V374 WeakPolarHBondContact O-CG2 3.29Å; Y370-V374 PolarHBondContact O-N 3.3Å; L371-V374 PolarHBondContact O-N 2.75Å; V374-K376 VanDerWaalsContact C-N 3.27Å; V374-K376 PolarHBondContact O-N 3.5Å; V374-E377 PolarHBondContact O-N 3.36Å; V374-T378 PolarHBondContact O-N 3.45Å; V374-T378 PolarHBondContact O-OG1 3.29Å; V374-F429 HydrophobicContact CG1-CE1 4.41Å; V374-F429 HydrophobicContact CG1-CZ 4.03Å; V374-P431 HydrophobicContact CG2-CB 4.01Å; V374-P431 HydrophobicContact CG2-CG 3.8Å |
| 375 | L | 97.2 | Very high | 95.3 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.7 | -32.3 | 179.7 | -72.3 | 173.9 | 0 | 0 | 0 | 113.4 | Q328 L329 C332 L371 Q373 L379 A465 K466 M469 | Q328-L375 PolarHBondContact NE2-O 3.44Å; Q328-L375 VanDerWaalsContact NE2-O 3.09Å; L329-L375 HydrophobicContact CD2-CD2 4.47Å; C332-L375 HydrophobicContact CB-CD2 4.41Å; L371-L375 HydrophobicContact CD1-CD1 4.49Å; L371-L375 HydrophobicContact CD1-CG 4.37Å; L371-L375 HydrophobicContact CG-CD1 4.24Å; L371-L375 WeakPolarHBondContact O-CB 3.19Å; L371-L375 VanDerWaalsContact O-CG 3.32Å; L371-L375 WeakPolarHBondContact O-CG 3.09Å; L371-L375 PolarHBondContact O-N 2.83Å; Q373-L375 PolarHBondContact O-N 3.29Å; L375-L379 PolarHBondContact O-N 3.46Å; L375-A465 HydrophobicContact CD1-CB 4.05Å; L375-A465 HydrophobicContact CD2-CB 4.31Å; L375-K466 HydrophobicContact CD1-CG 3.79Å; L375-M469 HydrophobicContact CD2-CG 4.22Å |
| 376 | K | 96.2 | Very high | 95.1 | Very high | 70 Ų | 70 | 21.7 Ų | 21.7 | 30% | 0.304 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -73.2 | -42.2 | 175.4 | -75.4 | 169.3 | -175.8 | 173.8 | 0 | 111.8 | S372 Q373 V374 T378 L379 R380 F434 Y445 | S372-K376 WeakPolarHBondContact O-CD 3.4Å; S372-K376 WeakPolarHBondContact O-CG 3.13Å; S372-K376 PolarHBondContact O-N 3.34Å; Q373-K376 PolarHBondContact O-N 3.18Å; Q373-K376 VanDerWaalsContact O-N 3.13Å; V374-K376 VanDerWaalsContact C-N 3.27Å; V374-K376 PolarHBondContact O-N 3.5Å; K376-T378 VanDerWaalsContact C-N 3.3Å; K376-T378 PolarHBondContact O-N 3.26Å; K376-L379 PolarHBondContact O-N 3.35Å; K376-L379 VanDerWaalsContact O-N 3.12Å; K376-R380 PolarHBondContact O-N 2.83Å; K376-F434 HydrophobicContact CB-CB 4.25Å; K376-F434 HydrophobicContact CB-CD1 3.97Å; K376-F434 HydrophobicContact CB-CD2 3.73Å; K376-F434 HydrophobicContact CB-CE1 4.22Å; K376-F434 HydrophobicContact CB-CE2 4Å; K376-F434 HydrophobicContact CB-CG 3.7Å; K376-F434 HydrophobicContact CB-CZ 4.23Å; K376-F434 HydrophobicContact CD-CB 3.9Å; K376-F434 HydrophobicContact CD-CD1 3.85Å; K376-F434 HydrophobicContact CD-CG 3.93Å; K376-F434 HydrophobicContact CG-CD1 4.48Å; K376-F434 HydrophobicContact CG-CG 4.5Å; K376-Y445 WeakPolarHBondContact CA-OH 3.46Å; K376-Y445 WeakPolarHBondContact CB-OH 3.27Å; K376-Y445 PolarHBondContact O-OH 2.86Å |
| 377 | E | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 175.9 | -175.9 | 67 | 174 | 0 | 0 | 111.1 | Q373 V374 L379 R380 I381 F429 D430 R433 F434 | Q373-E377 PolarHBondContact O-N 3.46Å; V374-E377 PolarHBondContact O-N 3.36Å; E377-L379 VanDerWaalsContact C-N 3.32Å; E377-L379 PolarHBondContact O-N 3.31Å; E377-R380 VanDerWaalsContact CD-NE 3.35Å; E377-R380 WeakPolarHBondContact O-CB 3.47Å; E377-R380 PolarHBondContact O-N 2.9Å; E377-R380 VanDerWaalsContact O-N 3.1Å; E377-R380 IonicContact OE1-CZ 3.55Å; E377-R380 IonicContact OE1-NE 3.3Å; E377-R380 PolarHBondContact OE1-NE 2.92Å; E377-R380 IonicContact OE1-NH2 2.71Å; E377-R380 PolarHBondContact OE1-NH2 3.25Å; E377-R380 WeakPolarHBondContact OE2-CD 3.26Å; E377-R380 IonicContact OE2-CZ 3.47Å; E377-R380 IonicContact OE2-NE 3.51Å; E377-R380 PolarHBondContact OE2-NE 3.41Å; E377-R380 IonicContact OE2-NH2 2.89Å; E377-I381 PolarHBondContact O-N 3.13Å; E377-F429 HydrophobicContact CB-CE2 4.06Å; E377-F429 HydrophobicContact CB-CZ 4.19Å; E377-F429 HydrophobicContact CG-CD1 4.43Å; E377-F429 HydrophobicContact CG-CD2 3.69Å; E377-F429 HydrophobicContact CG-CE1 4.44Å; E377-F429 HydrophobicContact CG-CE2 3.69Å; E377-F429 HydrophobicContact CG-CG 4.06Å; E377-F429 HydrophobicContact CG-CZ 4.08Å; E377-D430 VanDerWaalsContact CD-O 3.23Å; E377-D430 PolarHBondContact OE1-N 2.99Å; E377-R433 IonicContact OE1-NE 3.39Å; E377-F434 HydrophobicContact CB-CD2 4.13Å; E377-F434 HydrophobicContact CB-CE2 4.18Å; E377-F434 VanDerWaalsContact OE2-CE2 3.22Å; E377-F434 WeakPolarHBondContact OE2-CE2 3.44Å |
| 378 | T | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.7 | -43.3 | 170.4 | -56.2 | 0 | 0 | 0 | 0 | 112 | Q328 F331 C332 V374 K376 Y382 | Q328-T378 HydrophobicContact CG-CG2 4.25Å; Q328-T378 WeakPolarHBondContact O-CG2 3.24Å; F331-T378 HydrophobicContact CB-CG2 3.61Å; C332-T378 HydrophobicContact CB-CG2 4.04Å; V374-T378 PolarHBondContact O-N 3.45Å; V374-T378 PolarHBondContact O-OG1 3.29Å; K376-T378 VanDerWaalsContact C-N 3.3Å; K376-T378 PolarHBondContact O-N 3.26Å; T378-Y382 HydrophobicContact CG2-CD2 4.45Å; T378-Y382 CarbonylContact O-C 3.54Å; T378-Y382 VanDerWaalsContact O-CA 3.28Å; T378-Y382 WeakPolarHBondContact O-CA 3.3Å; T378-Y382 VanDerWaalsContact O-CB 3.3Å; T378-Y382 WeakPolarHBondContact O-CB 3.43Å; T378-Y382 PolarHBondContact O-N 3.21Å |
| 379 | L | 95.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 16.2 Ų | 16.2 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -74.5 | -23.8 | 176.7 | -75.3 | 174 | 0 | 0 | 0 | 114 | Q328 L375 K376 E377 P383 Y445 P447 F448 | Q328-L379 HydrophobicContact CB-CD2 4.06Å; Q328-L379 VanDerWaalsContact CD-CG 3.49Å; Q328-L379 HydrophobicContact CG-CD2 3.73Å; Q328-L379 HydrophobicContact CG-CG 3.87Å; L375-L379 PolarHBondContact O-N 3.46Å; K376-L379 PolarHBondContact O-N 3.35Å; K376-L379 VanDerWaalsContact O-N 3.12Å; E377-L379 VanDerWaalsContact C-N 3.32Å; E377-L379 PolarHBondContact O-N 3.31Å; L379-P383 VanDerWaalsContact O-CA 3.24Å; L379-P383 WeakPolarHBondContact O-CA 3.38Å; L379-P383 WeakPolarHBondContact O-CB 3.33Å; L379-Y445 HydrophobicContact CB-CE2 4.46Å; L379-P447 HydrophobicContact CB-CB 4Å; L379-P447 HydrophobicContact CB-CG 4.02Å; L379-P447 HydrophobicContact CD1-CB 4.18Å; L379-P447 HydrophobicContact CD1-CG 4.06Å; L379-P447 HydrophobicContact CD2-CB 4.42Å; L379-P447 HydrophobicContact CG-CB 4.44Å; L379-F448 HydrophobicContact CD1-CE2 3.55Å; L379-F448 HydrophobicContact CD1-CZ 3.81Å |
| 380 | R | 95.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 2% | 0.015 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.2 | -50.3 | 174.9 | -174.8 | -167 | 65.2 | 79.6 | -4.4 | 109.9 | K376 E377 G417 F423 P426 K428 F434 Y445 | K376-R380 PolarHBondContact O-N 2.83Å; E377-R380 VanDerWaalsContact CD-NE 3.35Å; E377-R380 WeakPolarHBondContact O-CB 3.47Å; E377-R380 PolarHBondContact O-N 2.9Å; E377-R380 VanDerWaalsContact O-N 3.1Å; E377-R380 IonicContact OE1-CZ 3.55Å; E377-R380 IonicContact OE1-NE 3.3Å; E377-R380 PolarHBondContact OE1-NE 2.92Å; E377-R380 IonicContact OE1-NH2 2.71Å; E377-R380 PolarHBondContact OE1-NH2 3.25Å; E377-R380 WeakPolarHBondContact OE2-CD 3.26Å; E377-R380 IonicContact OE2-CZ 3.47Å; E377-R380 IonicContact OE2-NE 3.51Å; E377-R380 PolarHBondContact OE2-NE 3.41Å; E377-R380 IonicContact OE2-NH2 2.89Å; R380-G417 PolarHBondContact NH1-O 2.67Å; R380-F423 VanDerWaalsContact CD-CD1 3.44Å; R380-F423 VanDerWaalsContact CD-CE1 3.41Å; R380-F423 HydrophobicContact CG-CE1 4.23Å; R380-F423 HydrophobicContact CG-CE2 4.46Å; R380-F423 HydrophobicContact CG-CZ 4.17Å; R380-P426 VanDerWaalsContact CZ-O 3.29Å; R380-P426 PolarHBondContact NH1-O 3.36Å; R380-P426 PolarHBondContact NH2-O 3.34Å; R380-K428 PolarHBondContact NH2-O 3.27Å; R380-F434 HydrophobicContact CB-CE2 4.11Å; R380-F434 HydrophobicContact CB-CZ 4.05Å; R380-F434 HydrophobicContact CG-CZ 4.42Å; R380-Y445 HydrophobicContact CB-CD2 4.12Å; R380-Y445 HydrophobicContact CB-CE2 3.93Å; R380-Y445 HydrophobicContact CG-CD2 4.36Å |
| 381 | I | 94.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 14 Ų | 14 | 4% | 0.036 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -75.2 | -43.4 | 178.2 | -56.2 | -175.8 | 0 | 0 | 0 | 109.5 | E377 P383 R418 F429 | E377-I381 PolarHBondContact O-N 3.13Å; I381-P383 WeakPolarHBondContact O-CD 3.35Å; I381-R418 PolarHBondContact O-NH1 2.94Å; I381-R418 PolarHBondContact O-NH2 3.16Å; I381-F429 HydrophobicContact CD1-CB 4.02Å; I381-F429 HydrophobicContact CD1-CD2 3.72Å; I381-F429 HydrophobicContact CD1-CG 4.33Å |
| 382 | Y | 94.4 | Very high | 94.6 | Very high | 19 Ų | 19 | 14.1 Ų | 14.1 | 8% | 0.075 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -119.2 | 70.2 | -175.8 | -51.7 | -71 | 0 | 0 | 0 | 111.5 | F331 E335 T378 T384 L488 | F331-Y382 HydrophobicContact CB-CD2 3.82Å; F331-Y382 HydrophobicContact CB-CG 4.03Å; F331-Y382 AromaticContact CD1-CD1 3.76Å; F331-Y382 HydrophobicContact CD1-CD1 3.76Å; F331-Y382 AromaticContact CD1-CD2 3.94Å; F331-Y382 HydrophobicContact CD1-CD2 3.94Å; F331-Y382 HydrophobicContact CD1-CE1 4.19Å; F331-Y382 HydrophobicContact CD1-CE2 4.38Å; F331-Y382 AromaticContact CD1-CG 3.59Å; F331-Y382 HydrophobicContact CD1-CG 3.59Å; F331-Y382 AromaticContact CD2-CG 3.99Å; F331-Y382 HydrophobicContact CD2-CG 3.99Å; F331-Y382 AromaticContact CE1-CD1 3.71Å; F331-Y382 HydrophobicContact CE1-CD1 3.71Å; F331-Y382 HydrophobicContact CE1-CE1 4.18Å; F331-Y382 AromaticContact CE1-CG 3.98Å; F331-Y382 HydrophobicContact CE1-CG 3.98Å; F331-Y382 HydrophobicContact CE2-CG 4.32Å; F331-Y382 HydrophobicContact CG-CD1 4.22Å; F331-Y382 AromaticContact CG-CD2 3.92Å; F331-Y382 HydrophobicContact CG-CD2 3.92Å; F331-Y382 AromaticContact CG-CG 3.62Å; F331-Y382 HydrophobicContact CG-CG 3.62Å; F331-Y382 HydrophobicContact CZ-CD1 4.11Å; F331-Y382 HydrophobicContact CZ-CG 4.32Å; E335-Y382 HydrophobicContact CG-CD2 4.45Å; E335-Y382 HydrophobicContact CG-CE2 3.65Å; E335-Y382 PolarHBondContact OE1-OH 3.07Å; T378-Y382 HydrophobicContact CG2-CD2 4.45Å; T378-Y382 CarbonylContact O-C 3.54Å; T378-Y382 VanDerWaalsContact O-CA 3.28Å; T378-Y382 WeakPolarHBondContact O-CA 3.3Å; T378-Y382 VanDerWaalsContact O-CB 3.3Å; T378-Y382 WeakPolarHBondContact O-CB 3.43Å; T378-Y382 PolarHBondContact O-N 3.21Å; Y382-T384 PolarHBondContact O-N 3.36Å; Y382-L488 HydrophobicContact CD1-CD1 4.49Å; Y382-L488 HydrophobicContact CD1-CD2 3.49Å; Y382-L488 VanDerWaalsContact CD1-CD2 3.49Å; Y382-L488 HydrophobicContact CE1-CD2 3.7Å |
| 383 | P | 92.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | trans | -70.6 | 104.9 | 177.8 | 28.1 | -31.8 | 0 | 0 | 0 | 109 | L379 I381 A385 Y414 L494 | L379-P383 VanDerWaalsContact O-CA 3.24Å; L379-P383 WeakPolarHBondContact O-CA 3.38Å; L379-P383 WeakPolarHBondContact O-CB 3.33Å; I381-P383 WeakPolarHBondContact O-CD 3.35Å; P383-A385 CarbonylContact O-C 3.28Å; P383-A385 PolarHBondContact O-N 3.48Å; P383-Y414 HydrophobicContact CG-CD2 3.81Å; P383-Y414 HydrophobicContact CG-CG 4.37Å; P383-L494 WeakPolarHBondContact O-CD1 3.47Å | ||
| 384 | T | 91.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 20.3 Ų | 20.3 | 6% | 0.055 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -56.9 | -34.1 | -179 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | T324 N327 Q328 Y382 T493 L494 | T324-T384 WeakPolarHBondContact O-CG2 3.31Å; N327-T384 HydrophobicContact CB-CG2 3.73Å; Q328-T384 HydrophobicContact CB-CG2 4.22Å; Y382-T384 PolarHBondContact O-N 3.36Å; T384-T493 WeakPolarHBondContact O-CA 3.44Å; T384-T493 WeakPolarHBondContact O-CB 3.5Å; T384-L494 PolarHBondContact O-N 2.88Å; T384-L494 VanDerWaalsContact O-N 3.1Å |
| 385 | A | 91.2 | Very high | 94 | Very high | 41 Ų | 41 | 25.5 Ų | 25.5 | 34% | 0.339 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -101.5 | 104.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P383 G387 S413 | P383-A385 CarbonylContact O-C 3.28Å; P383-A385 PolarHBondContact O-N 3.48Å; A385-G387 VanDerWaalsContact C-N 3.26Å; A385-G387 PolarHBondContact O-N 3.26Å; A385-S413 PolarHBondContact O-OG 3.36Å |
| 386 | P | 90.1 | Very high | 93.8 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | trans | -77.4 | -2.5 | -168.2 | 28.4 | -35.7 | 0 | 0 | 0 | 115.5 | H73 S412 S413 Y414 L494 | H73-P386 WeakPolarHBondContact CE1-CG 3.35Å; H73-P386 WeakPolarHBondContact NE2-CG 3.39Å; P386-S412 PolarHBondContact O-OG 2.74Å; P386-S413 PolarHBondContact O-N 2.63Å; P386-S413 PolarHBondContact O-OG 2.88Å; P386-S413 VanDerWaalsContact O-OG 3.12Å; P386-Y414 HydrophobicContact CB-CG 4.49Å; P386-Y414 PolarHBondContact O-N 3.32Å; P386-Y414 VanDerWaalsContact O-N 3.12Å; P386-L494 HydrophobicContact CB-CD1 4.27Å | ||
| 387 | G | 91.4 | Very high | 93.7 | Very high | 34 Ų | 34 | 27.9 Ų | 27.9 | 35% | 0.351 | 17% | 0.166 | S | C | . | . | trans | 169.8 | -179.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A385 L411 | A385-G387 VanDerWaalsContact C-N 3.26Å; A385-G387 PolarHBondContact O-N 3.26Å; G387-L411 CarbonylContact C-O 3.6Å; G387-L411 WeakPolarHBondContact CA-O 3.43Å | ||
| 388 | T | 93.4 | Very high | 93.4 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 164.8 | 173.6 | -167 | 0 | 0 | 0 | 0 | 110.1 | L109 K116 Y121 R390 L411 | L109-T388 HydrophobicContact CD1-CG2 4.45Å; L109-T388 HydrophobicContact CD2-CG2 3.72Å; K116-T388 PolarHBondContact NZ-OG1 3.39Å; Y121-T388 PolarHBondContact OH-OG1 3.35Å; T388-R390 PolarHBondContact OG1-NH1 2.92Å; T388-L411 PolarHBondContact N-O 3.28Å; T388-L411 PolarHBondContact O-N 3.39Å |
| 389 | S | 94.1 | Very high | 93 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 155.3 | -177.3 | 37.1 | 0 | 0 | 0 | 0 | 112 | D117 C409 | D117-S389 WeakPolarHBondContact OD2-CB 3.38Å; D117-S389 PolarHBondContact OD2-OG 3.39Å; S389-C409 CarbonylContact C-O 3.54Å; S389-C409 WeakPolarHBondContact CA-O 3.35Å; S389-C409 WeakPolarHBondContact CB-O 3.43Å |
| 390 | R | 94.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.5 | 176.5 | -66 | -60.2 | -176.7 | -78.5 | -7.4 | 110.6 | I108 L109 Y114 P115 K116 T388 I392 T408 C409 | I108-R390 HydrophobicContact CG2-CB 3.79Å; I108-R390 HydrophobicContact CG2-CG 3.63Å; L109-R390 HydrophobicContact CD2-CG 4.42Å; Y114-R390 WeakPolarHBondContact O-CD 3.3Å; P115-R390 CarbonylContact O-C 3.49Å; P115-R390 VanDerWaalsContact O-CA 3.27Å; P115-R390 WeakPolarHBondContact O-CA 3.48Å; P115-R390 VanDerWaalsContact O-CD 3.25Å; P115-R390 WeakPolarHBondContact O-CD 3.21Å; K116-R390 VanDerWaalsContact NZ-NH1 3.1Å; T388-R390 PolarHBondContact OG1-NH1 2.92Å; R390-I392 HydrophobicContact CB-CD1 4.42Å; R390-T408 CarbonylContact O-C 3.57Å; R390-T408 WeakPolarHBondContact O-CA 3.3Å; R390-C409 PolarHBondContact N-O 3.3Å; R390-C409 PolarHBondContact O-N 3.43Å |
| 391 | E | 94.4 | Very high | 92.4 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.8 | 171 | -157 | 163.3 | 153.9 | 0 | 0 | 109.8 | P115 R118 H393 | P115-E391 HydrophobicContact CG-CB 4.19Å; P115-E391 PolarHBondContact O-N 3.44Å; R118-E391 WeakPolarHBondContact CB-OE2 3.34Å; R118-E391 VanDerWaalsContact CD-OE2 3.23Å; R118-E391 WeakPolarHBondContact CD-OE2 3.5Å; R118-E391 WeakPolarHBondContact CG-OE2 3.25Å; R118-E391 PolarHBondContact N-OE2 3.26Å; R118-E391 VanDerWaalsContact N-OE2 3.15Å; E391-H393 IonicContact OE1-CE1 3.83Å; E391-H393 PolarHBondContact OE1-CE1 2.81Å; E391-H393 VanDerWaalsContact OE1-CE1 3.24Å; E391-H393 IonicContact OE1-ND1 3.16Å |
| 392 | I | 94.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 110.7 | 178.1 | -50.2 | -58.4 | 0 | 0 | 0 | 107.9 | I108 Y114 R390 G394 G406 F407 C409 | I108-I392 HydrophobicContact CD1-CD1 4.29Å; I108-I392 HydrophobicContact CG1-CD1 4.31Å; I108-I392 HydrophobicContact CG2-CD1 4.21Å; Y114-I392 HydrophobicContact CD1-CD1 3.33Å; Y114-I392 HydrophobicContact CE1-CD1 3.73Å; Y114-I392 HydrophobicContact CE1-CG2 4.36Å; Y114-I392 HydrophobicContact CG-CD1 3.89Å; R390-I392 HydrophobicContact CB-CD1 4.42Å; I392-G394 WeakPolarHBondContact CG2-O 3.47Å; I392-G406 WeakPolarHBondContact O-CA 3.43Å; I392-G406 PolarHBondContact O-N 3.44Å; I392-F407 HydrophobicContact CB-CD1 4.22Å; I392-F407 HydrophobicContact CB-CD2 4.31Å; I392-F407 HydrophobicContact CB-CE1 3.78Å; I392-F407 HydrophobicContact CB-CE2 3.87Å; I392-F407 HydrophobicContact CB-CG 4.49Å; I392-F407 HydrophobicContact CB-CZ 3.59Å; I392-F407 HydrophobicContact CG1-CD2 4.26Å; I392-F407 HydrophobicContact CG1-CE1 4.41Å; I392-F407 HydrophobicContact CG1-CE2 3.61Å; I392-F407 HydrophobicContact CG1-CZ 3.71Å; I392-F407 HydrophobicContact CG2-CE1 3.77Å; I392-F407 HydrophobicContact CG2-CE2 4.44Å; I392-F407 HydrophobicContact CG2-CZ 3.69Å; I392-F407 PolarHBondContact N-O 2.85Å; I392-F407 PolarHBondContact O-N 3.27Å; I392-C409 HydrophobicContact CD1-CB 4.14Å; I392-C409 HydrophobicContact CG1-CB 3.69Å |
| 393 | H | 92.3 | Very high | 92.3 | Very high | 116 Ų | 116 | 40.9 Ų | 40.9 | 54% | 0.537 | 25% | 0.253 | S | S | . | . | trans | -88.1 | -34 | -176.2 | -64.4 | -64.2 | 0 | 0 | 0 | 113.7 | E391 G405 | E391-H393 IonicContact OE1-CE1 3.83Å; E391-H393 PolarHBondContact OE1-CE1 2.81Å; E391-H393 VanDerWaalsContact OE1-CE1 3.24Å; E391-H393 IonicContact OE1-ND1 3.16Å; H393-G405 WeakPolarHBondContact O-CA 3.36Å | ||
| 394 | G | 92.1 | Very high | 92.3 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 43% | 0.433 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -99.1 | 164.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I392 G405 | I392-G394 WeakPolarHBondContact CG2-O 3.47Å; G394-G405 WeakPolarHBondContact O-CA 3.32Å |
| 395 | D | 93.8 | Very high | 92.4 | Very high | 108 Ų | 108 | 41.3 Ų | 41.3 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | trans | -64.7 | 145.3 | 173.7 | -65.8 | 3.7 | 0 | 0 | 0 | 110.3 | H402 L403 P404 G405 | D395-H402 IonicContact OD2-CE1 3.79Å; D395-H402 IonicContact OD2-NE2 2.79Å; D395-L403 WeakPolarHBondContact CA-O 3.46Å; D395-P404 WeakPolarHBondContact OD1-CA 3.36Å; D395-G405 PolarHBondContact OD1-N 3.44Å | ||
| 396 | M | 93.8 | Very high | 92.4 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 148.8 | -177.4 | 179.8 | 175.2 | -82.9 | 0 | 0 | 110.1 | E107 I108 Y114 I398 L403 | E107-M396 VanDerWaalsContact OE1-CE 3.23Å; E107-M396 WeakPolarHBondContact OE1-CE 3.45Å; I108-M396 HydrophobicContact CD1-SD 4.17Å; I108-M396 HydrophobicContact CG1-CE 4.34Å; I108-M396 HydrophobicContact CG1-SD 4.35Å; Y114-M396 HydrophobicContact CE1-CE 4.12Å; Y114-M396 WeakPolarHBondContact OH-CE 3.35Å; M396-I398 HydrophobicContact CG-CD1 4.38Å; M396-I398 HydrophobicContact CG-CG1 3.84Å; M396-I398 HydrophobicContact SD-CD1 3.72Å; M396-I398 HydrophobicContact SD-CG1 3.75Å; M396-L403 PolarHBondContact N-O 3.12Å; M396-L403 WeakPolarHBondContact O-CA 3.35Å; M396-L403 VanDerWaalsContact O-CB 3.32Å; M396-L403 WeakPolarHBondContact O-CB 3.25Å; M396-L403 PolarHBondContact O-N 2.74Å |
| 397 | I | 93.4 | Very high | 92.6 | Very high | 115 Ų | 115 | 41.2 Ų | 41.2 | 59% | 0.59 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.4 | 171.1 | -59 | 173.1 | 0 | 0 | 0 | 107.7 | V401 | I397-V401 WeakPolarHBondContact CA-O 3.45Å |
| 398 | I | 91.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.8 | 173.9 | -57 | -179.6 | 0 | 0 | 0 | 107.8 | V86 V99 C101 A104 I108 M396 G400 V401 L403 | V86-I398 HydrophobicContact CG2-CB 3.98Å; V86-I398 HydrophobicContact CG2-CG2 3.47Å; V86-I398 VanDerWaalsContact CG2-CG2 3.47Å; V99-I398 HydrophobicContact CG1-CD1 4.37Å; V99-I398 HydrophobicContact CG1-CG2 4.08Å; V99-I398 HydrophobicContact CG2-CD1 4Å; C101-I398 HydrophobicContact CB-CG2 4.09Å; A104-I398 HydrophobicContact CB-CD1 3.96Å; A104-I398 HydrophobicContact CB-CG1 4.22Å; A104-I398 HydrophobicContact CB-CG2 3.73Å; I108-I398 HydrophobicContact CD1-CD1 4.25Å; M396-I398 HydrophobicContact CG-CD1 4.38Å; M396-I398 HydrophobicContact CG-CG1 3.84Å; M396-I398 HydrophobicContact SD-CD1 3.72Å; M396-I398 HydrophobicContact SD-CG1 3.75Å; I398-G400 PolarHBondContact O-N 2.92Å; I398-V401 PolarHBondContact N-O 3.43Å; I398-V401 VanDerWaalsContact N-O 3.09Å; I398-V401 WeakPolarHBondContact O-CB 3.41Å; I398-V401 PolarHBondContact O-N 3.15Å; I398-L403 HydrophobicContact CB-CD1 3.93Å; I398-L403 HydrophobicContact CD1-CD1 3.47Å; I398-L403 VanDerWaalsContact CD1-CD1 3.47Å; I398-L403 HydrophobicContact CG1-CD1 3.65Å |
| 399 | D | 87.2 | Confident | 92.9 | Very high | 103 Ų | 103 | 39.4 Ų | 39.4 | 55% | 0.551 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 40.2 | 179.1 | -158.5 | 50.1 | 0 | 0 | 0 | 113.2 | P85 V86 V401 | P85-D399 HydrophobicContact CG-CB 4.24Å; P85-D399 WeakPolarHBondContact CG-OD2 3.46Å; V86-D399 HydrophobicContact CG2-CB 4.44Å; D399-V401 PolarHBondContact O-N 3.24Å |
| 400 | G | 88.2 | Confident | 93 | Very high | 71 Ų | 71 | 40.5 Ų | 40.5 | 73% | 0.732 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -3.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I398 | I398-G400 PolarHBondContact O-N 2.92Š|
| 401 | V | 90.8 | Very high | 93 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 125.6 | 177.9 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | I46 I397 I398 D399 L403 | I46-V401 HydrophobicContact CG1-CG1 4.33Å; I397-V401 WeakPolarHBondContact CA-O 3.45Å; I398-V401 PolarHBondContact N-O 3.43Å; I398-V401 VanDerWaalsContact N-O 3.09Å; I398-V401 WeakPolarHBondContact O-CB 3.41Å; I398-V401 PolarHBondContact O-N 3.15Å; D399-V401 PolarHBondContact O-N 3.24Å; V401-L403 HydrophobicContact CB-CD2 4.2Å; V401-L403 HydrophobicContact CG1-CD2 3.68Å; V401-L403 PolarHBondContact O-N 2.98Å |
| 402 | H | 93.4 | Very high | 93 | Very high | 95 Ų | 95 | 39 Ų | 39 | 44% | 0.44 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 115.4 | 173.5 | -174.7 | -86.7 | 0 | 0 | 0 | 111.2 | H45 D395 | H45-H402 PolarHBondContact NE2-O 3.23Å; D395-H402 IonicContact OD2-CE1 3.79Å; D395-H402 IonicContact OD2-NE2 2.79Å |
| 403 | L | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 110.2 | -178.2 | -50.3 | -177 | 0 | 0 | 0 | 109.1 | I46 V86 L97 D395 M396 I398 V401 F407 | I46-L403 HydrophobicContact CD1-CD2 3.7Å; I46-L403 HydrophobicContact CG1-CD2 4.17Å; V86-L403 HydrophobicContact CG1-CD1 4.26Å; V86-L403 HydrophobicContact CG1-CD2 4.09Å; L97-L403 HydrophobicContact CD1-CB 4.23Å; L97-L403 HydrophobicContact CD1-CD1 3.82Å; L97-L403 HydrophobicContact CD1-CD2 3.72Å; L97-L403 HydrophobicContact CD1-CG 4.14Å; D395-L403 WeakPolarHBondContact CA-O 3.46Å; M396-L403 PolarHBondContact N-O 3.12Å; M396-L403 WeakPolarHBondContact O-CA 3.35Å; M396-L403 VanDerWaalsContact O-CB 3.32Å; M396-L403 WeakPolarHBondContact O-CB 3.25Å; M396-L403 PolarHBondContact O-N 2.74Å; I398-L403 HydrophobicContact CB-CD1 3.93Å; I398-L403 HydrophobicContact CD1-CD1 3.47Å; I398-L403 VanDerWaalsContact CD1-CD1 3.47Å; I398-L403 HydrophobicContact CG1-CD1 3.65Å; V401-L403 HydrophobicContact CB-CD2 4.2Å; V401-L403 HydrophobicContact CG1-CD2 3.68Å; V401-L403 PolarHBondContact O-N 2.98Å; L403-F407 HydrophobicContact CB-CE1 3.8Å; L403-F407 HydrophobicContact CB-CZ 3.93Å; L403-F407 HydrophobicContact CD1-CE2 4.45Å; L403-F407 HydrophobicContact CD1-CZ 3.92Å |
| 404 | P | 92.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 8% | 0.078 | 22% | 0.218 | C | C | . | . | trans | -74.5 | 145 | 178.5 | 33.5 | -34.8 | 0 | 0 | 0 | 109.8 | K42 Y43 D395 F407 | K42-P404 HydrophobicContact CD-CG 4.48Å; K42-P404 VanDerWaalsContact CE-CB 3.44Å; K42-P404 HydrophobicContact CG-CG 4.01Å; Y43-P404 HydrophobicContact CD1-CG 3.84Å; Y43-P404 HydrophobicContact CE1-CG 3.58Å; Y43-P404 VanDerWaalsContact CE1-O 3.31Å; Y43-P404 WeakPolarHBondContact CE1-O 3.26Å; Y43-P404 PolarHBondContact OH-O 2.8Å; D395-P404 WeakPolarHBondContact OD1-CA 3.36Å; P404-F407 WeakPolarHBondContact O-CD1 3.38Å | ||
| 405 | G | 93.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -64.3 | 159 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K42 Y43 H393 G394 D395 | K42-G405 PolarHBondContact NZ-O 2.9Å; Y43-G405 PolarHBondContact OH-O 2.95Å; H393-G405 WeakPolarHBondContact O-CA 3.36Å; G394-G405 WeakPolarHBondContact O-CA 3.32Å; D395-G405 PolarHBondContact OD1-N 3.44Å |
| 406 | G | 92 | Very high | 93.2 | Very high | 48 Ų | 48 | 26.8 Ų | 26.8 | 50% | 0.495 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 98.5 | 34.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y43 I392 | Y43-G406 PolarHBondContact OH-O 2.95Å; I392-G406 WeakPolarHBondContact O-CA 3.43Å; I392-G406 PolarHBondContact O-N 3.44Å |
| 407 | F | 93.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 161 | 177.4 | 66.5 | -87 | 0 | 0 | 0 | 112 | Y43 I95 L97 I392 L403 P404 C409 | Y43-F407 HydrophobicContact CE1-CB 4.14Å; Y43-F407 HydrophobicContact CE1-CD1 4.23Å; I95-F407 HydrophobicContact CB-CB 4.12Å; I95-F407 HydrophobicContact CG2-CB 3.94Å; L97-F407 HydrophobicContact CB-CD2 3.84Å; L97-F407 HydrophobicContact CB-CE2 4.06Å; L97-F407 HydrophobicContact CD1-CD1 4.23Å; L97-F407 HydrophobicContact CD1-CD2 3.58Å; L97-F407 HydrophobicContact CD1-CE1 4.26Å; L97-F407 HydrophobicContact CD1-CE2 3.64Å; L97-F407 HydrophobicContact CD1-CG 3.89Å; L97-F407 HydrophobicContact CD1-CZ 3.98Å; L97-F407 HydrophobicContact CG-CB 4.37Å; L97-F407 HydrophobicContact CG-CD2 3.62Å; L97-F407 HydrophobicContact CG-CE2 4.07Å; L97-F407 HydrophobicContact CG-CG 4.05Å; I392-F407 HydrophobicContact CB-CD1 4.22Å; I392-F407 HydrophobicContact CB-CD2 4.31Å; I392-F407 HydrophobicContact CB-CE1 3.78Å; I392-F407 HydrophobicContact CB-CE2 3.87Å; I392-F407 HydrophobicContact CB-CG 4.49Å; I392-F407 HydrophobicContact CB-CZ 3.59Å; I392-F407 HydrophobicContact CG1-CD2 4.26Å; I392-F407 HydrophobicContact CG1-CE1 4.41Å; I392-F407 HydrophobicContact CG1-CE2 3.61Å; I392-F407 HydrophobicContact CG1-CZ 3.71Å; I392-F407 HydrophobicContact CG2-CE1 3.77Å; I392-F407 HydrophobicContact CG2-CE2 4.44Å; I392-F407 HydrophobicContact CG2-CZ 3.69Å; I392-F407 PolarHBondContact N-O 2.85Å; I392-F407 PolarHBondContact O-N 3.27Å; L403-F407 HydrophobicContact CB-CE1 3.8Å; L403-F407 HydrophobicContact CB-CZ 3.93Å; L403-F407 HydrophobicContact CD1-CE2 4.45Å; L403-F407 HydrophobicContact CD1-CZ 3.92Å; P404-F407 WeakPolarHBondContact O-CD1 3.38Å; F407-C409 HydrophobicContact CD2-CB 4.38Å; F407-C409 HydrophobicContact CE2-CB 3.92Å |
| 408 | T | 95.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 119.6 | 168.2 | -63.6 | 0 | 0 | 0 | 0 | 109.4 | I95 I96 L97 D117 R390 | I95-T408 PolarHBondContact O-N 2.73Å; I96-T408 CarbonylContact C-O 3.58Å; I96-T408 VanDerWaalsContact CA-O 3.27Å; I96-T408 WeakPolarHBondContact CA-O 3.31Å; I96-T408 HydrophobicContact CG2-CG2 4.27Å; L97-T408 PolarHBondContact N-O 3.1Å; D117-T408 HydrophobicContact CB-CG2 3.5Å; R390-T408 CarbonylContact O-C 3.57Å; R390-T408 WeakPolarHBondContact O-CA 3.3Å |
| 409 | C | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 117.9 | 170 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | L97 V99 I108 S389 R390 I392 F407 | L97-C409 CarbonylContact O-C 3.49Å; L97-C409 WeakPolarHBondContact O-CA 3.07Å; V99-C409 VanDerWaalsContact CG2-SG 3.53Å; I108-C409 HydrophobicContact CD1-CB 4.29Å; I108-C409 VanDerWaalsContact CD1-SG 3.53Å; S389-C409 CarbonylContact C-O 3.54Å; S389-C409 WeakPolarHBondContact CA-O 3.35Å; S389-C409 WeakPolarHBondContact CB-O 3.43Å; R390-C409 PolarHBondContact N-O 3.3Å; R390-C409 PolarHBondContact O-N 3.43Å; I392-C409 HydrophobicContact CD1-CB 4.14Å; I392-C409 HydrophobicContact CG1-CB 3.69Å; F407-C409 HydrophobicContact CD2-CB 4.38Å; F407-C409 HydrophobicContact CE2-CB 3.92Å |
| 410 | M | 95.5 | Very high | 93.6 | Very high | 29 Ų | 29 | 22.8 Ų | 22.8 | 14% | 0.143 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.5 | 174.7 | -170.3 | 177.6 | 84.6 | 0 | 0 | 109.9 | F76 M89 I96 L97 V98 V99 | F76-M410 HydrophobicContact CD1-CE 4.27Å; F76-M410 HydrophobicContact CD2-CE 3.33Å; F76-M410 HydrophobicContact CD2-SD 4.48Å; F76-M410 HydrophobicContact CE1-CE 4.25Å; F76-M410 HydrophobicContact CE2-CE 3.31Å; F76-M410 HydrophobicContact CE2-SD 3.94Å; F76-M410 HydrophobicContact CG-CE 3.84Å; F76-M410 HydrophobicContact CZ-CE 3.79Å; F76-M410 HydrophobicContact CZ-SD 4.32Å; M89-M410 HydrophobicContact CE-CE 3.65Å; M89-M410 HydrophobicContact CE-SD 3.69Å; I96-M410 HydrophobicContact CG2-CB 3.8Å; L97-M410 PolarHBondContact O-N 2.94Å; V98-M410 WeakPolarHBondContact CA-O 3.32Å; V98-M410 HydrophobicContact CB-CE 4.18Å; V98-M410 HydrophobicContact CG1-CE 3.75Å; V98-M410 HydrophobicContact CG2-CB 4.33Å; V98-M410 HydrophobicContact CG2-CE 3.41Å; V98-M410 VanDerWaalsContact CG2-CE 3.41Å; V99-M410 PolarHBondContact N-O 2.89Å |
| 411 | L | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 110.9 | -179.1 | -64.1 | 158.3 | 0 | 0 | 0 | 107.8 | V99 T105 I108 L109 G387 T388 F446 | V99-L411 HydrophobicContact CB-CD2 4.11Å; V99-L411 HydrophobicContact CG1-CD2 4.34Å; T105-L411 HydrophobicContact CG2-CD2 4.45Å; I108-L411 HydrophobicContact CB-CD1 4.38Å; I108-L411 HydrophobicContact CG2-CD1 3.98Å; L109-L411 HydrophobicContact CD1-CD1 4.03Å; L109-L411 HydrophobicContact CD2-CD1 3.41Å; L109-L411 VanDerWaalsContact CD2-CD1 3.41Å; L109-L411 HydrophobicContact CG-CD1 3.55Å; G387-L411 CarbonylContact C-O 3.6Å; G387-L411 WeakPolarHBondContact CA-O 3.43Å; T388-L411 PolarHBondContact N-O 3.28Å; T388-L411 PolarHBondContact O-N 3.39Å; L411-F446 HydrophobicContact CB-CE2 4.27Å; L411-F446 HydrophobicContact CB-CZ 4.28Å |
| 412 | S | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | trans | -101.9 | 106.1 | -173.8 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | P386 Y414 A415 M416 | P386-S412 PolarHBondContact O-OG 2.74Å; S412-Y414 PolarHBondContact O-N 2.77Å; S412-A415 PolarHBondContact O-N 3.37Å; S412-A415 PolarHBondContact OG-N 3.45Å; S412-M416 WeakPolarHBondContact O-CG 3.18Å; S412-M416 PolarHBondContact O-N 3.26Å; S412-M416 VanDerWaalsContact O-N 3.13Å | ||
| 413 | S | 93.5 | Very high | 93.7 | Very high | 8 Ų | 8 | 23.3 Ų | 23.3 | 6% | 0.056 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.4 | -33.7 | 168.9 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | A385 P386 G417 | A385-S413 PolarHBondContact O-OG 3.36Å; P386-S413 PolarHBondContact O-N 2.63Å; P386-S413 PolarHBondContact O-OG 2.88Å; P386-S413 VanDerWaalsContact O-OG 3.12Å; S413-G417 WeakPolarHBondContact O-CA 3.44Å; S413-G417 PolarHBondContact O-N 3.37Å |
| 414 | Y | 94.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -49.1 | 176.8 | -174 | -87.2 | 0 | 0 | 0 | 113.3 | H73 N74 P383 P386 S412 R418 L488 L494 | H73-Y414 HydrophobicContact CB-CD1 3.52Å; H73-Y414 HydrophobicContact CB-CD2 4.29Å; H73-Y414 HydrophobicContact CB-CE1 3.84Å; H73-Y414 HydrophobicContact CB-CG 3.77Å; N74-Y414 VanDerWaalsContact OD1-CE1 3.3Å; N74-Y414 WeakPolarHBondContact OD1-CE1 3.34Å; N74-Y414 VanDerWaalsContact OD1-CZ 3.3Å; N74-Y414 PolarHBondContact OD1-OH 3.49Å; P383-Y414 HydrophobicContact CG-CD2 3.81Å; P383-Y414 HydrophobicContact CG-CG 4.37Å; P386-Y414 HydrophobicContact CB-CG 4.49Å; P386-Y414 PolarHBondContact O-N 3.32Å; P386-Y414 VanDerWaalsContact O-N 3.12Å; S412-Y414 PolarHBondContact O-N 2.77Å; Y414-R418 VanDerWaalsContact CE2-NH1 3.25Å; Y414-R418 PolarHBondContact OH-NE 2.92Å; Y414-L488 HydrophobicContact CE2-CD1 3.92Å; Y414-L488 WeakPolarHBondContact OH-CD1 3.35Å; Y414-L494 HydrophobicContact CD2-CD1 3.49Å; Y414-L494 VanDerWaalsContact CD2-CD1 3.49Å; Y414-L494 HydrophobicContact CE2-CD1 3.56Å |
| 415 | A | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.2 | -52.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L77 T100 S412 G417 R418 M419 | L77-A415 HydrophobicContact CB-CB 4.38Å; L77-A415 HydrophobicContact CD1-CB 4.3Å; T100-A415 HydrophobicContact CG2-CB 4.25Å; S412-A415 PolarHBondContact O-N 3.37Å; S412-A415 PolarHBondContact OG-N 3.45Å; A415-G417 VanDerWaalsContact C-N 3.26Å; A415-G417 PolarHBondContact O-N 2.98Å; A415-R418 PolarHBondContact O-N 2.9Å; A415-M419 WeakPolarHBondContact O-CG 3.42Å; A415-M419 PolarHBondContact O-N 3.43Å |
| 416 | M | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.4 | -36 | -178.8 | -66.3 | 178.7 | 78.5 | 0 | 0 | 112.5 | T100 P102 S412 R418 F422 F423 Y443 C444 F446 | T100-M416 HydrophobicContact CG2-CG 4.01Å; T100-M416 WeakPolarHBondContact O-CE 3.48Å; P102-M416 HydrophobicContact CG-CE 4.1Å; S412-M416 WeakPolarHBondContact O-CG 3.18Å; S412-M416 PolarHBondContact O-N 3.26Å; S412-M416 VanDerWaalsContact O-N 3.13Å; M416-R418 PolarHBondContact O-N 3.37Å; M416-F422 HydrophobicContact CB-CD2 4.2Å; M416-F422 HydrophobicContact CB-CE2 4.36Å; M416-F422 HydrophobicContact CE-CE2 4.13Å; M416-F422 HydrophobicContact CE-CZ 4.31Å; M416-F422 HydrophobicContact CG-CE2 4.21Å; M416-F423 WeakPolarHBondContact O-CD2 3.33Å; M416-F423 WeakPolarHBondContact O-CE2 3.23Å; M416-Y443 WeakPolarHBondContact CE-O 3.39Å; M416-C444 HydrophobicContact CE-CB 4.11Å; M416-F446 HydrophobicContact CE-CE1 4.45Å; M416-F446 HydrophobicContact SD-CE1 3.63Å; M416-F446 HydrophobicContact SD-CZ 3.86Å |
| 417 | G | 93.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R380 S413 A415 | R380-G417 PolarHBondContact NH1-O 2.67Å; S413-G417 WeakPolarHBondContact O-CA 3.44Å; S413-G417 PolarHBondContact O-N 3.37Å; A415-G417 VanDerWaalsContact C-N 3.26Å; A415-G417 PolarHBondContact O-N 2.98Å |
| 418 | R | 94.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -0.7 | -176 | -78.2 | 174.1 | 170.7 | 63.8 | 3.2 | 115 | L77 I381 Y414 A415 M416 P426 L427 | L77-R418 HydrophobicContact CD1-CB 4.21Å; L77-R418 HydrophobicContact CD2-CB 3.72Å; L77-R418 HydrophobicContact CD2-CG 4.43Å; I381-R418 PolarHBondContact O-NH1 2.94Å; I381-R418 PolarHBondContact O-NH2 3.16Å; Y414-R418 VanDerWaalsContact CE2-NH1 3.25Å; Y414-R418 PolarHBondContact OH-NE 2.92Å; A415-R418 PolarHBondContact O-N 2.9Å; M416-R418 PolarHBondContact O-N 3.37Å; R418-P426 VanDerWaalsContact O-CB 3.26Å; R418-P426 WeakPolarHBondContact O-CB 3.44Å; R418-P426 WeakPolarHBondContact O-CG 3.31Å; R418-L427 HydrophobicContact CG-CD2 4.32Å |
| 419 | M | 93.8 | Very high | 93.7 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | trans | -86.5 | 128.6 | -179.3 | -70.6 | 170.2 | 76.3 | 0 | 0 | 110.9 | L77 T100 A415 K421 F422 F423 | L77-M419 HydrophobicContact CD1-CG 3.88Å; T100-M419 HydrophobicContact CG2-SD 4.14Å; A415-M419 WeakPolarHBondContact O-CG 3.42Å; A415-M419 PolarHBondContact O-N 3.43Å; M419-K421 PolarHBondContact O-N 3.4Å; M419-K421 VanDerWaalsContact O-N 3.14Å; M419-F422 HydrophobicContact CB-CD2 3.9Å; M419-F422 HydrophobicContact CB-CE2 4.39Å; M419-F422 HydrophobicContact CE-CE2 4.14Å; M419-F422 PolarHBondContact O-N 3.27Å; M419-F422 HydrophobicContact SD-CD2 4.18Å; M419-F422 HydrophobicContact SD-CE2 3.79Å; M419-F423 PolarHBondContact O-N 3.43Å | ||
| 420 | E | 91.9 | Very high | 93.7 | Very high | 111 Ų | 111 | 45.2 Ų | 45.2 | 52% | 0.519 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32.7 | 175.7 | -171 | 71.9 | -145.5 | 0 | 0 | 112 | F422 F423 K424 E425 P426 | E420-F422 PolarHBondContact O-N 3.01Å; E420-F423 WeakPolarHBondContact CA-O 3.34Å; E420-F423 CarbonylContact O-C 3.59Å; E420-K424 WeakPolarHBondContact OE1-CA 3.07Å; E420-E425 PolarHBondContact OE1-N 3.02Å; E420-E425 PolarHBondContact OE2-N 3.39Å; E420-P426 WeakPolarHBondContact OE2-CD 3.19Å |
| 421 | K | 90.6 | Very high | 93.7 | Very high | 155 Ų | 155 | 43.9 Ų | 43.9 | 67% | 0.674 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -32.4 | 175.9 | -178.7 | 176.7 | 178.7 | 179.9 | 0 | 113.2 | M419 | M419-K421 PolarHBondContact O-N 3.4Å; M419-K421 VanDerWaalsContact O-N 3.14Å |
| 422 | F | 90.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 20% | 0.202 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -31.4 | -177.1 | -56.6 | -51.4 | 0 | 0 | 0 | 112.8 | T100 P102 M416 M419 E420 C444 | T100-F422 WeakPolarHBondContact O-CE2 3.38Å; T100-F422 WeakPolarHBondContact O-CZ 3.42Å; P102-F422 HydrophobicContact CG-CD1 4.36Å; P102-F422 HydrophobicContact CG-CE1 3.56Å; P102-F422 HydrophobicContact CG-CZ 3.93Å; M416-F422 HydrophobicContact CB-CD2 4.2Å; M416-F422 HydrophobicContact CB-CE2 4.36Å; M416-F422 HydrophobicContact CE-CE2 4.13Å; M416-F422 HydrophobicContact CE-CZ 4.31Å; M416-F422 HydrophobicContact CG-CE2 4.21Å; M419-F422 HydrophobicContact CB-CD2 3.9Å; M419-F422 HydrophobicContact CB-CE2 4.39Å; M419-F422 HydrophobicContact CE-CE2 4.14Å; M419-F422 PolarHBondContact O-N 3.27Å; M419-F422 HydrophobicContact SD-CD2 4.18Å; M419-F422 HydrophobicContact SD-CE2 3.79Å; E420-F422 PolarHBondContact O-N 3.01Å; F422-C444 HydrophobicContact CB-CB 4.22Å; F422-C444 HydrophobicContact CD1-CB 4.49Å; F422-C444 VanDerWaalsContact CD1-SG 3.52Å; F422-C444 HydrophobicContact CG-CB 4.2Å |
| 423 | F | 92.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -135.2 | 111 | -179.1 | -61.2 | -84.5 | 0 | 0 | 0 | 109.4 | R380 M416 M419 E420 E425 P426 P441 C444 | R380-F423 VanDerWaalsContact CD-CD1 3.44Å; R380-F423 VanDerWaalsContact CD-CE1 3.41Å; R380-F423 HydrophobicContact CG-CE1 4.23Å; R380-F423 HydrophobicContact CG-CE2 4.46Å; R380-F423 HydrophobicContact CG-CZ 4.17Å; M416-F423 WeakPolarHBondContact O-CD2 3.33Å; M416-F423 WeakPolarHBondContact O-CE2 3.23Å; M419-F423 PolarHBondContact O-N 3.43Å; E420-F423 WeakPolarHBondContact CA-O 3.34Å; E420-F423 CarbonylContact O-C 3.59Å; F423-E425 PolarHBondContact O-N 3.28Å; F423-P426 HydrophobicContact CB-CB 4.28Å; F423-P426 WeakPolarHBondContact O-CB 3.45Å; F423-P426 VanDerWaalsContact O-CD 3.31Å; F423-P426 WeakPolarHBondContact O-CD 3.33Å; F423-P441 HydrophobicContact CE1-CB 3.68Å; F423-P441 HydrophobicContact CE1-CG 4.02Å; F423-P441 HydrophobicContact CZ-CB 3.56Å; F423-P441 HydrophobicContact CZ-CG 4.12Å; F423-C444 HydrophobicContact CE2-CB 4.27Å; F423-C444 HydrophobicContact CZ-CB 4.5Å |
| 424 | K | 91.7 | Very high | 93.5 | Very high | 143 Ų | 143 | 49.8 Ų | 49.8 | 62% | 0.622 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -60.3 | 133.3 | 176.4 | -179.3 | -178.3 | 175.2 | -174.6 | 0 | 110.9 | E420 R433 | E420-K424 WeakPolarHBondContact OE1-CA 3.07Å; K424-R433 PolarHBondContact O-NH1 2.79Å; K424-R433 PolarHBondContact O-NH2 2.92Å |
| 425 | E | 93.1 | Very high | 93.4 | Very high | 93 Ų | 93 | 53.3 Ų | 53.3 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 50.8 | 60.8 | -174.3 | -63.9 | 169.4 | 72.7 | 0 | 0 | 111.8 | E420 F423 L427 K428 R433 | E420-E425 PolarHBondContact OE1-N 3.02Å; E420-E425 PolarHBondContact OE2-N 3.39Å; F423-E425 PolarHBondContact O-N 3.28Å; E425-L427 PolarHBondContact O-N 2.97Å; E425-L427 VanDerWaalsContact O-N 3.11Å; E425-K428 HydrophobicContact CB-CB 4.16Å; E425-K428 WeakPolarHBondContact O-CB 3.44Å; E425-K428 PolarHBondContact O-N 2.97Å; E425-R433 PolarHBondContact O-NH2 3.17Å |
| 426 | P | 92.8 | Very high | 93 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22 | -162.9 | 25.3 | -35 | 0 | 0 | 0 | 113.8 | R380 R418 E420 F423 | R380-P426 VanDerWaalsContact CZ-O 3.29Å; R380-P426 PolarHBondContact NH1-O 3.36Å; R380-P426 PolarHBondContact NH2-O 3.34Å; R418-P426 VanDerWaalsContact O-CB 3.26Å; R418-P426 WeakPolarHBondContact O-CB 3.44Å; R418-P426 WeakPolarHBondContact O-CG 3.31Å; E420-P426 WeakPolarHBondContact OE2-CD 3.19Å; F423-P426 HydrophobicContact CB-CB 4.28Å; F423-P426 WeakPolarHBondContact O-CB 3.45Å; F423-P426 VanDerWaalsContact O-CD 3.31Å; F423-P426 WeakPolarHBondContact O-CD 3.33Å |
| 427 | L | 92.1 | Very high | 92.7 | Very high | 130 Ų | 130 | 63.9 Ų | 63.9 | 68% | 0.681 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -8.2 | 178.5 | -59.3 | -178.1 | 0 | 0 | 0 | 113.3 | R418 E425 | R418-L427 HydrophobicContact CG-CD2 4.32Å; E425-L427 PolarHBondContact O-N 2.97Å; E425-L427 VanDerWaalsContact O-N 3.11Å |
| 428 | K | 94.9 | Very high | 92.3 | Very high | 110 Ų | 110 | 65 Ų | 65 | 48% | 0.478 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -79 | 127 | 173.9 | -175.1 | -177.9 | 179.6 | -175.9 | 0 | 109.6 | R380 E425 D430 | R380-K428 PolarHBondContact NH2-O 3.27Å; E425-K428 HydrophobicContact CB-CB 4.16Å; E425-K428 WeakPolarHBondContact O-CB 3.44Å; E425-K428 PolarHBondContact O-N 2.97Å; K428-D430 PolarHBondContact O-N 3.33Å |
| 429 | F | 96.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 70 Ų | 70 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | trans | -75.2 | 106.9 | 173 | -169.5 | -92.5 | 0 | 0 | 0 | 109.7 | E335 I342 V374 E377 I381 P431 | E335-F429 HydrophobicContact CB-CD1 4.45Å; E335-F429 HydrophobicContact CB-CD2 3.97Å; E335-F429 HydrophobicContact CB-CE1 4.33Å; E335-F429 HydrophobicContact CB-CE2 3.84Å; E335-F429 HydrophobicContact CB-CG 4.3Å; E335-F429 HydrophobicContact CB-CZ 4.04Å; E335-F429 HydrophobicContact CG-CD2 3.78Å; E335-F429 HydrophobicContact CG-CE2 3.9Å; E335-F429 HydrophobicContact CG-CG 4.39Å; I342-F429 HydrophobicContact CD1-CD1 3.59Å; I342-F429 HydrophobicContact CD1-CE1 4.01Å; I342-F429 HydrophobicContact CG2-CE1 4.32Å; V374-F429 HydrophobicContact CG1-CE1 4.41Å; V374-F429 HydrophobicContact CG1-CZ 4.03Å; E377-F429 HydrophobicContact CB-CE2 4.06Å; E377-F429 HydrophobicContact CB-CZ 4.19Å; E377-F429 HydrophobicContact CG-CD1 4.43Å; E377-F429 HydrophobicContact CG-CD2 3.69Å; E377-F429 HydrophobicContact CG-CE1 4.44Å; E377-F429 HydrophobicContact CG-CE2 3.69Å; E377-F429 HydrophobicContact CG-CG 4.06Å; E377-F429 HydrophobicContact CG-CZ 4.08Å; I381-F429 HydrophobicContact CD1-CB 4.02Å; I381-F429 HydrophobicContact CD1-CD2 3.72Å; I381-F429 HydrophobicContact CD1-CG 4.33Å; F429-P431 HydrophobicContact CD1-CG 4.28Å; F429-P431 HydrophobicContact CE1-CG 3.77Å; F429-P431 HydrophobicContact CZ-CG 4.47Å | ||
| 430 | D | 95.3 | Very high | 91.2 | Very high | 44 Ų | 44 | 75.4 Ų | 75.4 | 24% | 0.235 | 38% | 0.376 | C | S | . | . | trans | -137.8 | 98.4 | -178.1 | 177.2 | 7.7 | 0 | 0 | 0 | 110.7 | E377 K428 D432 R433 | E377-D430 VanDerWaalsContact CD-O 3.23Å; E377-D430 PolarHBondContact OE1-N 2.99Å; K428-D430 PolarHBondContact O-N 3.33Å; D430-D432 PolarHBondContact O-N 2.79Å; D430-D432 WeakPolarHBondContact OD1-CB 3Å; D430-D432 PolarHBondContact OD1-N 3.04Å; D430-R433 HydrophobicContact CB-CG 4.16Å; D430-R433 WeakPolarHBondContact O-CB 3.45Å; D430-R433 WeakPolarHBondContact O-CD 3.21Å; D430-R433 VanDerWaalsContact O-CG 3.23Å; D430-R433 WeakPolarHBondContact O-CG 3.41Å; D430-R433 PolarHBondContact O-N 3.43Å | ||
| 431 | P | 95.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -60.1 | -29.8 | 177.3 | -26.3 | 35.9 | 0 | 0 | 0 | 114.1 | I342 Y370 Q373 V374 F429 R433 F434 | I342-P431 HydrophobicContact CD1-CG 4.09Å; I342-P431 HydrophobicContact CG2-CG 3.89Å; Y370-P431 HydrophobicContact CE2-CB 3.83Å; Q373-P431 HydrophobicContact CB-CB 4.01Å; Q373-P431 WeakPolarHBondContact CB-O 3.15Å; Q373-P431 PolarHBondContact OE1-O 3.5Å; V374-P431 HydrophobicContact CG2-CB 4.01Å; V374-P431 HydrophobicContact CG2-CG 3.8Å; F429-P431 HydrophobicContact CD1-CG 4.28Å; F429-P431 HydrophobicContact CE1-CG 3.77Å; F429-P431 HydrophobicContact CZ-CG 4.47Å; P431-R433 PolarHBondContact O-N 2.88Å; P431-F434 PolarHBondContact O-N 3.12Å |
| 432 | D | 93.6 | Very high | 90.4 | Very high | 69 Ų | 69 | 71.3 Ų | 71.3 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -67.3 | -12.8 | -173.7 | -67.3 | -29.8 | 0 | 0 | 0 | 111.7 | K345 Y370 D430 F434 H435 | K345-D432 IonicContact NZ-OD1 2.76Å; K345-D432 PolarHBondContact NZ-OD1 3.33Å; K345-D432 IonicContact NZ-OD2 3.13Å; K345-D432 PolarHBondContact NZ-OD2 2.99Å; Y370-D432 WeakPolarHBondContact CE2-OD1 3.36Å; D430-D432 PolarHBondContact O-N 2.79Å; D430-D432 WeakPolarHBondContact OD1-CB 3Å; D430-D432 PolarHBondContact OD1-N 3.04Å; D432-F434 PolarHBondContact O-N 2.59Å; D432-H435 WeakPolarHBondContact O-CB 3.36Å; D432-H435 PolarHBondContact O-N 2.88Å; D432-H435 VanDerWaalsContact O-N 3.09Å |
| 433 | R | 92.6 | Very high | 90.4 | Very high | 45 Ų | 45 | 72 Ų | 72 | 17% | 0.17 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -57 | -28.7 | 167.1 | -63.6 | 177.2 | -168.6 | -72.7 | 1.5 | 113.7 | E377 K424 E425 D430 P431 A438 | E377-R433 IonicContact OE1-NE 3.39Å; K424-R433 PolarHBondContact O-NH1 2.79Å; K424-R433 PolarHBondContact O-NH2 2.92Å; E425-R433 PolarHBondContact O-NH2 3.17Å; D430-R433 HydrophobicContact CB-CG 4.16Å; D430-R433 WeakPolarHBondContact O-CB 3.45Å; D430-R433 WeakPolarHBondContact O-CD 3.21Å; D430-R433 VanDerWaalsContact O-CG 3.23Å; D430-R433 WeakPolarHBondContact O-CG 3.41Å; D430-R433 PolarHBondContact O-N 3.43Å; P431-R433 PolarHBondContact O-N 2.88Å; R433-A438 WeakPolarHBondContact O-CB 3.31Å |
| 434 | F | 93.5 | Very high | 90.4 | Very high | 19 Ų | 19 | 72 Ų | 72 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -101.8 | 12.8 | -179.4 | -69.2 | -74.5 | 0 | 0 | 0 | 112.8 | Q373 K376 E377 R380 P431 D432 P441 Y445 | Q373-F434 HydrophobicContact CB-CB 4.27Å; Q373-F434 HydrophobicContact CG-CB 4.12Å; K376-F434 HydrophobicContact CB-CB 4.25Å; K376-F434 HydrophobicContact CB-CD1 3.97Å; K376-F434 HydrophobicContact CB-CD2 3.73Å; K376-F434 HydrophobicContact CB-CE1 4.22Å; K376-F434 HydrophobicContact CB-CE2 4Å; K376-F434 HydrophobicContact CB-CG 3.7Å; K376-F434 HydrophobicContact CB-CZ 4.23Å; K376-F434 HydrophobicContact CD-CB 3.9Å; K376-F434 HydrophobicContact CD-CD1 3.85Å; K376-F434 HydrophobicContact CD-CG 3.93Å; K376-F434 HydrophobicContact CG-CD1 4.48Å; K376-F434 HydrophobicContact CG-CG 4.5Å; E377-F434 HydrophobicContact CB-CD2 4.13Å; E377-F434 HydrophobicContact CB-CE2 4.18Å; E377-F434 VanDerWaalsContact OE2-CE2 3.22Å; E377-F434 WeakPolarHBondContact OE2-CE2 3.44Å; R380-F434 HydrophobicContact CB-CE2 4.11Å; R380-F434 HydrophobicContact CB-CZ 4.05Å; R380-F434 HydrophobicContact CG-CZ 4.42Å; P431-F434 PolarHBondContact O-N 3.12Å; D432-F434 PolarHBondContact O-N 2.59Å; F434-P441 HydrophobicContact CE1-CG 3.99Å; F434-Y445 HydrophobicContact CE1-CD1 4.01Å; F434-Y445 HydrophobicContact CE1-CD2 4.04Å; F434-Y445 HydrophobicContact CE1-CE1 4.03Å; F434-Y445 HydrophobicContact CE1-CE2 4.06Å; F434-Y445 HydrophobicContact CE1-CG 4Å; F434-Y445 AromaticContact CZ-CD2 3.73Å; F434-Y445 HydrophobicContact CZ-CD2 3.73Å; F434-Y445 HydrophobicContact CZ-CE1 4.45Å; F434-Y445 AromaticContact CZ-CE2 3.66Å; F434-Y445 HydrophobicContact CZ-CE2 3.66Å; F434-Y445 HydrophobicContact CZ-CG 4.16Å |
| 435 | H | 92 | Very high | 90.4 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 35% | 0.352 | 34% | 0.338 | S | S | . | . | trans | -54.4 | 143.6 | 173.2 | -166.4 | -94.1 | 0 | 0 | 0 | 110.5 | D432 D437 A438 | D432-H435 WeakPolarHBondContact O-CB 3.36Å; D432-H435 PolarHBondContact O-N 2.88Å; D432-H435 VanDerWaalsContact O-N 3.09Å; H435-D437 IonicContact CE1-OD2 3.84Å; H435-D437 PolarHBondContact CE1-OD2 3.17Å; H435-D437 PolarHBondContact ND1-N 3.01Å; H435-D437 IonicContact ND1-OD2 3.13Å; H435-D437 PolarHBondContact ND1-OD2 3.37Å; H435-D437 PolarHBondContact O-N 3.46Å; H435-D437 VanDerWaalsContact O-N 3.11Å; H435-A438 HydrophobicContact CB-CB 4.09Å; H435-A438 WeakPolarHBondContact O-CB 3.33Å; H435-A438 PolarHBondContact O-N 3.29Å | ||
| 436 | P | 87.4 | Confident | 90.5 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -34.2 | 179.4 | -30.3 | 36.8 | 0 | 0 | 0 | 114.7 | V369 | V369-P436 HydrophobicContact CG1-CG 4.09Š|
| 437 | D | 88.3 | Confident | 90.4 | Very high | 142 Ų | 142 | 63.6 Ų | 63.6 | 76% | 0.759 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -6.1 | -180 | -54.7 | -42.1 | 0 | 0 | 0 | 114 | H435 | H435-D437 IonicContact CE1-OD2 3.84Å; H435-D437 PolarHBondContact CE1-OD2 3.17Å; H435-D437 PolarHBondContact ND1-N 3.01Å; H435-D437 IonicContact ND1-OD2 3.13Å; H435-D437 PolarHBondContact ND1-OD2 3.37Å; H435-D437 PolarHBondContact O-N 3.46Å; H435-D437 VanDerWaalsContact O-N 3.11Å |
| 438 | A | 85.7 | Confident | 90.5 | Very high | 25 Ų | 25 | 59 Ų | 59 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -75.6 | 151.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R433 H435 K440 | R433-A438 WeakPolarHBondContact O-CB 3.31Å; H435-A438 HydrophobicContact CB-CB 4.09Å; H435-A438 WeakPolarHBondContact O-CB 3.33Å; H435-A438 PolarHBondContact O-N 3.29Å; A438-K440 PolarHBondContact O-N 3.21Å |
| 439 | P | 83.5 | Confident | 90.4 | Very high | 124 Ų | 124 | 54.7 Ų | 54.7 | 81% | 0.805 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 124.4 | 171.8 | -24.4 | 34 | 0 | 0 | 0 | 111.3 | ||
| 440 | K | 81.9 | Confident | 90.2 | Very high | 137 Ų | 137 | 56.3 Ų | 56.3 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 133 | -178.5 | -66.1 | 178.6 | -175.7 | 171.2 | 0 | 110.2 | A438 Y442 | A438-K440 PolarHBondContact O-N 3.21Å; K440-Y442 HydrophobicContact CB-CD2 4.15Å; K440-Y442 HydrophobicContact CB-CE1 4.34Å; K440-Y442 HydrophobicContact CB-CE2 3.8Å; K440-Y442 WeakPolarHBondContact O-CD2 3.41Å; K440-Y442 PolarHBondContact O-N 2.76Å |
| 441 | P | 81.3 | Confident | 90.1 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 20% | 0.195 | 29% | 0.289 | C | S | . | . | trans | -75.8 | 70.8 | 175.7 | 30.6 | -35.2 | 0 | 0 | 0 | 110.9 | F423 F434 Y443 C444 Y445 | F423-P441 HydrophobicContact CE1-CB 3.68Å; F423-P441 HydrophobicContact CE1-CG 4.02Å; F423-P441 HydrophobicContact CZ-CB 3.56Å; F423-P441 HydrophobicContact CZ-CG 4.12Å; F434-P441 HydrophobicContact CE1-CG 3.99Å; P441-Y443 PolarHBondContact O-N 2.75Å; P441-C444 HydrophobicContact CB-CB 4.42Å; P441-C444 PolarHBondContact O-N 2.85Å; P441-Y445 HydrophobicContact CG-CG 4.36Å; P441-Y445 PolarHBondContact O-N 2.87Å | ||
| 442 | Y | 84.3 | Confident | 89.8 | Confident | 149 Ų | 149 | 57.3 Ų | 57.3 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 122.4 | -177.2 | -71.9 | -74.2 | 0 | 0 | 0 | 110.9 | K440 C444 | K440-Y442 HydrophobicContact CB-CD2 4.15Å; K440-Y442 HydrophobicContact CB-CE1 4.34Å; K440-Y442 HydrophobicContact CB-CE2 3.8Å; K440-Y442 WeakPolarHBondContact O-CD2 3.41Å; K440-Y442 PolarHBondContact O-N 2.76Å; Y442-C444 PolarHBondContact O-N 2.78Å; Y442-C444 PolarHBondContact O-SG 2.8Å; Y442-C444 VanDerWaalsContact O-SG 3.4Å |
| 443 | Y | 91 | Very high | 89.7 | Confident | 62 Ų | 62 | 55 Ų | 55 | 24% | 0.243 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 4.2 | 177.3 | -44.6 | -74.9 | 0 | 0 | 0 | 115.8 | P102 T105 K106 M110 M416 P441 F446 L450 | P102-Y443 VanDerWaalsContact O-CB 3.25Å; P102-Y443 WeakPolarHBondContact O-CB 3.45Å; T105-Y443 WeakPolarHBondContact CG2-O 3.26Å; K106-Y443 HydrophobicContact CB-CD1 3.56Å; K106-Y443 HydrophobicContact CB-CD2 3.91Å; K106-Y443 HydrophobicContact CB-CE1 3.6Å; K106-Y443 HydrophobicContact CB-CE2 3.94Å; K106-Y443 HydrophobicContact CB-CG 3.73Å; K106-Y443 HydrophobicContact CD-CD2 4.31Å; K106-Y443 HydrophobicContact CD-CE1 4.15Å; K106-Y443 HydrophobicContact CD-CE2 3.6Å; K106-Y443 WeakPolarHBondContact CD-OH 3.24Å; K106-Y443 WeakPolarHBondContact CE-OH 3.4Å; K106-Y443 HydrophobicContact CG-CD1 4.06Å; K106-Y443 HydrophobicContact CG-CD2 4.39Å; K106-Y443 HydrophobicContact CG-CE1 3.53Å; K106-Y443 HydrophobicContact CG-CE2 3.9Å; K106-Y443 HydrophobicContact CG-CG 4.47Å; K106-Y443 VanDerWaalsContact CG-CZ 3.43Å; M110-Y443 HydrophobicContact CG-CE1 4.18Å; M110-Y443 HydrophobicContact SD-CE1 4.5Å; M416-Y443 WeakPolarHBondContact CE-O 3.39Å; P441-Y443 PolarHBondContact O-N 2.75Å; Y443-F446 WeakPolarHBondContact O-CD1 3.42Å; Y443-F446 WeakPolarHBondContact O-CE1 3.37Å; Y443-L450 HydrophobicContact CD1-CD1 3.64Å; Y443-L450 HydrophobicContact CE1-CD1 4.34Å |
| 444 | C | 90.7 | Very high | 89.7 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -16 | 171.6 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | P102 M416 F422 F423 P441 Y442 | P102-C444 WeakPolarHBondContact CG-SG 3.47Å; M416-C444 HydrophobicContact CE-CB 4.11Å; F422-C444 HydrophobicContact CB-CB 4.22Å; F422-C444 HydrophobicContact CD1-CB 4.49Å; F422-C444 VanDerWaalsContact CD1-SG 3.52Å; F422-C444 HydrophobicContact CG-CB 4.2Å; F423-C444 HydrophobicContact CE2-CB 4.27Å; F423-C444 HydrophobicContact CZ-CB 4.5Å; P441-C444 HydrophobicContact CB-CB 4.42Å; P441-C444 PolarHBondContact O-N 2.85Å; Y442-C444 PolarHBondContact O-N 2.78Å; Y442-C444 PolarHBondContact O-SG 2.8Å; Y442-C444 VanDerWaalsContact O-SG 3.4Å |
| 445 | Y | 93.1 | Very high | 89.7 | Confident | 46 Ų | 46 | 56.2 Ų | 56.2 | 18% | 0.18 | 31% | 0.306 | C | S | . | . | trans | -122.6 | 107.7 | 177.6 | 177.9 | -100.3 | 0 | 0 | 0 | 110.4 | K376 L379 R380 F434 P441 P447 | K376-Y445 WeakPolarHBondContact CA-OH 3.46Å; K376-Y445 WeakPolarHBondContact CB-OH 3.27Å; K376-Y445 PolarHBondContact O-OH 2.86Å; L379-Y445 HydrophobicContact CB-CE2 4.46Å; R380-Y445 HydrophobicContact CB-CD2 4.12Å; R380-Y445 HydrophobicContact CB-CE2 3.93Å; R380-Y445 HydrophobicContact CG-CD2 4.36Å; F434-Y445 HydrophobicContact CE1-CD1 4.01Å; F434-Y445 HydrophobicContact CE1-CD2 4.04Å; F434-Y445 HydrophobicContact CE1-CE1 4.03Å; F434-Y445 HydrophobicContact CE1-CE2 4.06Å; F434-Y445 HydrophobicContact CE1-CG 4Å; F434-Y445 AromaticContact CZ-CD2 3.73Å; F434-Y445 HydrophobicContact CZ-CD2 3.73Å; F434-Y445 HydrophobicContact CZ-CE1 4.45Å; F434-Y445 AromaticContact CZ-CE2 3.66Å; F434-Y445 HydrophobicContact CZ-CE2 3.66Å; F434-Y445 HydrophobicContact CZ-CG 4.16Å; P441-Y445 HydrophobicContact CG-CG 4.36Å; P441-Y445 PolarHBondContact O-N 2.87Å; Y445-P447 HydrophobicContact CD2-CG 4.46Å; Y445-P447 HydrophobicContact CE1-CG 3.88Å; Y445-P447 HydrophobicContact CE2-CG 3.79Å; Y445-P447 VanDerWaalsContact CZ-CG 3.47Å; Y445-P447 WeakPolarHBondContact OH-CG 3.5Å | ||
| 446 | F | 94.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | trans | -146.9 | 53.5 | -177.5 | 51.7 | -89.2 | 0 | 0 | 0 | 113.2 | T105 L109 L411 M416 Y443 F448 A449 L450 | T105-F446 HydrophobicContact CG2-CD1 4Å; T105-F446 HydrophobicContact CG2-CE1 3.77Å; T105-F446 HydrophobicContact CG2-CZ 4.21Å; L109-F446 HydrophobicContact CD1-CD2 4.25Å; L411-F446 HydrophobicContact CB-CE2 4.27Å; L411-F446 HydrophobicContact CB-CZ 4.28Å; M416-F446 HydrophobicContact CE-CE1 4.45Å; M416-F446 HydrophobicContact SD-CE1 3.63Å; M416-F446 HydrophobicContact SD-CZ 3.86Å; Y443-F446 WeakPolarHBondContact O-CD1 3.42Å; Y443-F446 WeakPolarHBondContact O-CE1 3.37Å; F446-F448 PolarHBondContact O-N 3.22Å; F446-F448 VanDerWaalsContact O-N 3.08Å; F446-A449 WeakPolarHBondContact O-CA 3.02Å; F446-A449 PolarHBondContact O-N 2.82Å; F446-L450 HydrophobicContact CB-CD1 4Å; F446-L450 HydrophobicContact CB-CD2 4.23Å; F446-L450 HydrophobicContact CB-CG 3.7Å | ||
| 447 | P | 92.1 | Very high | 89.9 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.7 | 179 | 26.8 | -35.3 | 0 | 0 | 0 | 113.4 | L379 Y445 | L379-P447 HydrophobicContact CB-CB 4Å; L379-P447 HydrophobicContact CB-CG 4.02Å; L379-P447 HydrophobicContact CD1-CB 4.18Å; L379-P447 HydrophobicContact CD1-CG 4.06Å; L379-P447 HydrophobicContact CD2-CB 4.42Å; L379-P447 HydrophobicContact CG-CB 4.44Å; Y445-P447 HydrophobicContact CD2-CG 4.46Å; Y445-P447 HydrophobicContact CE1-CG 3.88Å; Y445-P447 HydrophobicContact CE2-CG 3.79Å; Y445-P447 VanDerWaalsContact CZ-CG 3.47Å; Y445-P447 WeakPolarHBondContact OH-CG 3.5Å |
| 448 | F | 92.8 | Very high | 90.1 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 17.1 | 174.8 | -63.9 | -77.9 | 0 | 0 | 0 | 113.4 | L379 F446 C455 K458 A461 Q462 | L379-F448 HydrophobicContact CD1-CE2 3.55Å; L379-F448 HydrophobicContact CD1-CZ 3.81Å; F446-F448 PolarHBondContact O-N 3.22Å; F446-F448 VanDerWaalsContact O-N 3.08Å; F448-C455 HydrophobicContact CB-CB 3.89Å; F448-C455 HydrophobicContact CD1-CB 3.9Å; F448-C455 HydrophobicContact CG-CB 4.4Å; F448-C455 WeakPolarHBondContact O-CB 3.3Å; F448-C455 PolarHBondContact O-N 3.45Å; F448-K458 HydrophobicContact CB-CB 4.4Å; F448-K458 HydrophobicContact CB-CD 4.13Å; F448-K458 HydrophobicContact CB-CG 4.2Å; F448-K458 HydrophobicContact CD1-CB 3.97Å; F448-K458 HydrophobicContact CD1-CG 3.98Å; F448-K458 HydrophobicContact CD2-CD 4.31Å; F448-K458 HydrophobicContact CD2-CG 4.01Å; F448-K458 HydrophobicContact CE1-CB 4.48Å; F448-K458 HydrophobicContact CE1-CG 4.36Å; F448-K458 HydrophobicContact CE2-CG 4.4Å; F448-K458 HydrophobicContact CG-CB 4.16Å; F448-K458 HydrophobicContact CG-CD 4.17Å; F448-K458 HydrophobicContact CG-CG 3.79Å; F448-A461 HydrophobicContact CE1-CB 4.22Å; F448-Q462 HydrophobicContact CZ-CG 4.37Å |
| 449 | A | 92.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 50 Ų | 50 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | trans | 55 | -174.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113 | F446 | F446-A449 WeakPolarHBondContact O-CA 3.02Å; F446-A449 PolarHBondContact O-N 2.82Å | ||
| 450 | L | 92.8 | Very high | 90.9 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | trans | -134.9 | 164.3 | -179.3 | -62.9 | 174.2 | 0 | 0 | 0 | 110.9 | T105 L109 M110 Y443 F446 | T105-L450 HydrophobicContact CG2-CD1 4.46Å; L109-L450 HydrophobicContact CB-CB 3.93Å; L109-L450 HydrophobicContact CD1-CB 4.1Å; L109-L450 HydrophobicContact CD1-CD1 4.41Å; L109-L450 HydrophobicContact CD1-CG 4.4Å; M110-L450 HydrophobicContact SD-CB 4.02Å; Y443-L450 HydrophobicContact CD1-CD1 3.64Å; Y443-L450 HydrophobicContact CE1-CD1 4.34Å; F446-L450 HydrophobicContact CB-CD1 4Å; F446-L450 HydrophobicContact CB-CD2 4.23Å; F446-L450 HydrophobicContact CB-CG 3.7Å | ||
| 451 | G | 91.8 | Very high | 91.4 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 73.3 | -158.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | L109 M110 R453 S454 | L109-G451 WeakPolarHBondContact O-CA 3.5Å; M110-G451 PolarHBondContact SD-N 2.66Å; G451-R453 PolarHBondContact O-N 3.18Å; G451-S454 WeakPolarHBondContact O-CB 3.02Å; G451-S454 PolarHBondContact O-N 3.41Å; G451-S454 PolarHBondContact O-OG 2.95Å |
| 452 | P | 90.1 | Very high | 92 | Very high | 45 Ų | 45 | 39.9 Ų | 39.9 | 29% | 0.292 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.5 | -172.7 | 21.2 | -31.8 | 0 | 0 | 0 | 112.5 | M110 P112 W146 S454 | M110-P452 WeakPolarHBondContact O-CD 3.33Å; P112-P452 HydrophobicContact CB-CG 4.2Å; W146-P452 HydrophobicContact CH2-CB 3.79Å; W146-P452 WeakPolarHBondContact CH2-O 3.45Å; W146-P452 WeakPolarHBondContact CZ2-O 3.44Å; W146-P452 HydrophobicContact CZ3-CB 4.31Å; P452-S454 VanDerWaalsContact C-N 3.32Å; P452-S454 PolarHBondContact O-N 3.32Å |
| 453 | R | 91.2 | Very high | 92.5 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 7% | 0.072 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 27.8 | 179.5 | -64.4 | -178.9 | 173.1 | -107.9 | 10.7 | 113 | A140 I141 D142 W146 G451 | A140-R453 PolarHBondContact O-NH1 2.67Å; A140-R453 PolarHBondContact O-NH2 3.33Å; I141-R453 PolarHBondContact O-NH2 2.87Å; D142-R453 PolarHBondContact O-NH2 3.44Å; W146-R453 HydrophobicContact CD2-CG 4.18Å; W146-R453 HydrophobicContact CH2-CG 4.24Å; W146-R453 HydrophobicContact CZ2-CB 4.43Å; W146-R453 HydrophobicContact CZ2-CG 3.76Å; G451-R453 PolarHBondContact O-N 3.18Å |
| 454 | S | 93 | Very high | 92.7 | Very high | 39 Ų | 39 | 30.3 Ų | 30.3 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -66 | 157.9 | 171.7 | 66 | 0 | 0 | 0 | 0 | 111.5 | R150 G451 P452 L456 | R150-S454 PolarHBondContact NH1-O 3.37Å; G451-S454 WeakPolarHBondContact O-CB 3.02Å; G451-S454 PolarHBondContact O-N 3.41Å; G451-S454 PolarHBondContact O-OG 2.95Å; P452-S454 VanDerWaalsContact C-N 3.32Å; P452-S454 PolarHBondContact O-N 3.32Å; S454-L456 PolarHBondContact O-N 3.38Å |
| 455 | C | 93.6 | Very high | 92.9 | Very high | 52 Ų | 52 | 29.8 Ų | 29.8 | 35% | 0.351 | 17% | 0.17 | S | C | . | . | trans | -53.7 | 123.7 | 179.7 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | F448 G457 K458 | F448-C455 HydrophobicContact CB-CB 3.89Å; F448-C455 HydrophobicContact CD1-CB 3.9Å; F448-C455 HydrophobicContact CG-CB 4.4Å; F448-C455 WeakPolarHBondContact O-CB 3.3Å; F448-C455 PolarHBondContact O-N 3.45Å; C455-G457 PolarHBondContact SG-N 3.37Å; C455-K458 HydrophobicContact CB-CB 4.34Å | ||
| 456 | L | 92.1 | Very high | 93 | Very high | 24 Ų | 24 | 29.2 Ų | 29.2 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -43 | 174.7 | 179.7 | 67.4 | 0 | 0 | 0 | 110.8 | L137 M153 D154 F157 F316 S454 K458 | L137-L456 HydrophobicContact CD2-CB 4.43Å; L137-L456 HydrophobicContact CD2-CD2 3.85Å; M153-L456 HydrophobicContact CB-CD2 3.78Å; M153-L456 HydrophobicContact SD-CD2 4.48Å; D154-L456 WeakPolarHBondContact OD1-CD1 3.48Å; F157-L456 HydrophobicContact CB-CD1 3.87Å; F157-L456 HydrophobicContact CB-CG 3.97Å; F157-L456 HydrophobicContact CD1-CG 4.2Å; F157-L456 HydrophobicContact CD2-CD1 4.01Å; F157-L456 HydrophobicContact CD2-CD2 3.47Å; F157-L456 VanDerWaalsContact CD2-CD2 3.47Å; F157-L456 HydrophobicContact CD2-CG 3.6Å; F157-L456 HydrophobicContact CE2-CD2 3.54Å; F157-L456 HydrophobicContact CE2-CG 4.08Å; F157-L456 HydrophobicContact CG-CD1 4.06Å; F157-L456 HydrophobicContact CG-CD2 4.06Å; F157-L456 HydrophobicContact CG-CG 3.66Å; F157-L456 HydrophobicContact CZ-CD2 4.18Å; F316-L456 HydrophobicContact CE1-CD2 4.34Å; S454-L456 PolarHBondContact O-N 3.38Å; L456-K458 PolarHBondContact O-N 2.91Å |
| 457 | G | 91.2 | Very high | 93.1 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 11.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | C455 N459 F460 A461 | C455-G457 PolarHBondContact SG-N 3.37Å; G457-N459 PolarHBondContact O-N 2.64Å; G457-F460 WeakPolarHBondContact O-CB 3.18Å; G457-F460 PolarHBondContact O-N 3.26Å; G457-A461 WeakPolarHBondContact O-CB 3.32Å; G457-A461 PolarHBondContact O-N 3.37Å |
| 458 | K | 92.9 | Very high | 93.3 | Very high | 89 Ų | 89 | 28.1 Ų | 28.1 | 39% | 0.387 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -55.6 | -51.1 | -176.5 | 176.3 | -177.1 | 172.1 | -171.4 | 0 | 112.1 | F448 C455 L456 F460 A461 Q462 | F448-K458 HydrophobicContact CB-CB 4.4Å; F448-K458 HydrophobicContact CB-CD 4.13Å; F448-K458 HydrophobicContact CB-CG 4.2Å; F448-K458 HydrophobicContact CD1-CB 3.97Å; F448-K458 HydrophobicContact CD1-CG 3.98Å; F448-K458 HydrophobicContact CD2-CD 4.31Å; F448-K458 HydrophobicContact CD2-CG 4.01Å; F448-K458 HydrophobicContact CE1-CB 4.48Å; F448-K458 HydrophobicContact CE1-CG 4.36Å; F448-K458 HydrophobicContact CE2-CG 4.4Å; F448-K458 HydrophobicContact CG-CB 4.16Å; F448-K458 HydrophobicContact CG-CD 4.17Å; F448-K458 HydrophobicContact CG-CG 3.79Å; C455-K458 HydrophobicContact CB-CB 4.34Å; L456-K458 PolarHBondContact O-N 2.91Å; K458-F460 VanDerWaalsContact C-N 3.34Å; K458-A461 PolarHBondContact O-N 3.07Å; K458-Q462 WeakPolarHBondContact O-CB 3.41Å; K458-Q462 VanDerWaalsContact O-CG 3.27Å; K458-Q462 WeakPolarHBondContact O-CG 3.35Å; K458-Q462 PolarHBondContact O-N 2.88Å |
| 459 | N | 92.8 | Very high | 93.5 | Very high | 60 Ų | 60 | 26.6 Ų | 26.6 | 32% | 0.321 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.8 | -39.5 | -178.6 | -67.7 | -29.5 | 0 | 0 | 0 | 111.3 | T159 L162 G457 Q462 M463 | T159-N459 PolarHBondContact OG1-ND2 3.35Å; L162-N459 HydrophobicContact CD1-CB 3.8Å; G457-N459 PolarHBondContact O-N 2.64Å; N459-Q462 PolarHBondContact O-N 2.91Å; N459-M463 HydrophobicContact CB-CE 4.31Å; N459-M463 WeakPolarHBondContact O-CB 3.46Å; N459-M463 VanDerWaalsContact O-CG 3.25Å; N459-M463 WeakPolarHBondContact O-CG 3.45Å; N459-M463 PolarHBondContact O-N 3.22Å |
| 460 | F | 93 | Very high | 93.7 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 2% | 0.022 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.5 | -55.9 | 174.9 | -176 | -72.5 | 0 | 0 | 0 | 111 | L162 F169 V203 I204 V207 I287 S321 G457 K458 Q462 M463 E464 | L162-F460 HydrophobicContact CD1-CB 4.18Å; L162-F460 HydrophobicContact CD2-CB 4.48Å; L162-F460 HydrophobicContact CD2-CD2 3.84Å; F169-F460 HydrophobicContact CE1-CD1 4.29Å; F169-F460 HydrophobicContact CE1-CD2 4.36Å; F169-F460 AromaticContact CE1-CE1 3.87Å; F169-F460 HydrophobicContact CE1-CE1 3.87Å; F169-F460 HydrophobicContact CE1-CE2 4Å; F169-F460 HydrophobicContact CE1-CG 4.5Å; F169-F460 AromaticContact CE1-CZ 3.73Å; F169-F460 HydrophobicContact CE1-CZ 3.73Å; F169-F460 HydrophobicContact CZ-CD1 4.33Å; F169-F460 AromaticContact CZ-CD2 3.73Å; F169-F460 HydrophobicContact CZ-CD2 3.73Å; F169-F460 HydrophobicContact CZ-CE1 4.2Å; F169-F460 AromaticContact CZ-CE2 3.64Å; F169-F460 HydrophobicContact CZ-CE2 3.64Å; F169-F460 HydrophobicContact CZ-CG 4.08Å; F169-F460 AromaticContact CZ-CZ 3.88Å; F169-F460 HydrophobicContact CZ-CZ 3.88Å; V203-F460 HydrophobicContact CG1-CE1 4.06Å; V203-F460 HydrophobicContact CG1-CZ 3.8Å; I204-F460 HydrophobicContact CB-CZ 4.49Å; I204-F460 HydrophobicContact CD1-CE1 4.12Å; I204-F460 HydrophobicContact CD1-CE2 4.05Å; I204-F460 HydrophobicContact CD1-CZ 3.68Å; V207-F460 HydrophobicContact CB-CE2 3.89Å; V207-F460 HydrophobicContact CB-CZ 4.15Å; V207-F460 HydrophobicContact CG1-CD2 4.46Å; V207-F460 HydrophobicContact CG1-CE2 3.55Å; V207-F460 HydrophobicContact CG1-CZ 4.29Å; V207-F460 HydrophobicContact CG2-CE2 4.49Å; I287-F460 HydrophobicContact CD1-CD2 4.3Å; I287-F460 HydrophobicContact CD1-CE2 4.18Å; S321-F460 WeakPolarHBondContact OG-CE1 3.41Å; G457-F460 WeakPolarHBondContact O-CB 3.18Å; G457-F460 PolarHBondContact O-N 3.26Å; K458-F460 VanDerWaalsContact C-N 3.34Å; F460-Q462 VanDerWaalsContact C-N 3.29Å; F460-Q462 PolarHBondContact O-N 3.23Å; F460-M463 PolarHBondContact O-N 2.89Å; F460-M463 VanDerWaalsContact O-N 3.17Å; F460-E464 WeakPolarHBondContact O-CB 3.38Å; F460-E464 PolarHBondContact O-N 3.25Å |
| 461 | A | 93 | Very high | 93.8 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.9 | -38.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T325 F448 G457 K458 A465 | T325-A461 WeakPolarHBondContact OG1-CB 3.49Å; F448-A461 HydrophobicContact CE1-CB 4.22Å; G457-A461 WeakPolarHBondContact O-CB 3.32Å; G457-A461 PolarHBondContact O-N 3.37Å; K458-A461 PolarHBondContact O-N 3.07Å; A461-A465 WeakPolarHBondContact O-CB 3.48Å; A461-A465 PolarHBondContact O-N 3.16Å |
| 462 | Q | 93.9 | Very high | 94 | Very high | 66 Ų | 66 | 22.8 Ų | 22.8 | 31% | 0.308 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -69 | -38.6 | 177.1 | -71.4 | -175.4 | -54.7 | 0 | 0 | 113 | F448 K458 N459 F460 K466 | F448-Q462 HydrophobicContact CZ-CG 4.37Å; K458-Q462 WeakPolarHBondContact O-CB 3.41Å; K458-Q462 VanDerWaalsContact O-CG 3.27Å; K458-Q462 WeakPolarHBondContact O-CG 3.35Å; K458-Q462 PolarHBondContact O-N 2.88Å; N459-Q462 PolarHBondContact O-N 2.91Å; F460-Q462 VanDerWaalsContact C-N 3.29Å; F460-Q462 PolarHBondContact O-N 3.23Å; Q462-K466 WeakPolarHBondContact O-CB 3.47Å; Q462-K466 VanDerWaalsContact O-CG 3.24Å; Q462-K466 WeakPolarHBondContact O-CG 3.46Å; Q462-K466 PolarHBondContact O-N 3.46Å |
| 463 | M | 94.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 4% | 0.044 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.4 | -51 | 175.2 | -70.8 | 174.8 | -164.4 | 0 | 0 | 110.5 | T159 L162 Y362 L365 N459 F460 A465 K466 V467 | T159-M463 HydrophobicContact CG2-CE 4.06Å; L162-M463 HydrophobicContact CB-CE 3.75Å; L162-M463 HydrophobicContact CB-SD 3.66Å; L162-M463 HydrophobicContact CD1-CE 4.09Å; L162-M463 HydrophobicContact CD1-SD 4.24Å; Y362-M463 HydrophobicContact CD2-CE 3.88Å; Y362-M463 HydrophobicContact CD2-SD 4.27Å; Y362-M463 HydrophobicContact CE2-CE 3.34Å; Y362-M463 HydrophobicContact CE2-CG 4.37Å; Y362-M463 HydrophobicContact CE2-SD 4.22Å; L365-M463 HydrophobicContact CD1-CB 4.18Å; L365-M463 HydrophobicContact CD1-CG 4.15Å; N459-M463 HydrophobicContact CB-CE 4.31Å; N459-M463 WeakPolarHBondContact O-CB 3.46Å; N459-M463 VanDerWaalsContact O-CG 3.25Å; N459-M463 WeakPolarHBondContact O-CG 3.45Å; N459-M463 PolarHBondContact O-N 3.22Å; F460-M463 PolarHBondContact O-N 2.89Å; F460-M463 VanDerWaalsContact O-N 3.17Å; M463-A465 PolarHBondContact O-N 2.86Å; M463-K466 PolarHBondContact O-N 3.17Å; M463-V467 WeakPolarHBondContact O-CG2 3.22Å; M463-V467 PolarHBondContact O-N 3.38Å |
| 464 | E | 94.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -54.9 | -52.1 | 177.5 | -179.6 | -177 | -138.6 | 0 | 0 | 111.6 | F169 T200 V203 S321 T325 F460 K466 V467 V468 | F169-E464 HydrophobicContact CD1-CB 4.09Å; F169-E464 HydrophobicContact CD1-CG 4.48Å; F169-E464 HydrophobicContact CE1-CB 3.84Å; F169-E464 HydrophobicContact CE1-CG 4.44Å; T200-E464 WeakPolarHBondContact CA-OE1 3.24Å; V203-E464 VanDerWaalsContact CB-OE1 3.32Å; V203-E464 WeakPolarHBondContact CB-OE1 3.42Å; V203-E464 HydrophobicContact CG1-CG 4.22Å; V203-E464 VanDerWaalsContact CG1-OE1 3.25Å; V203-E464 WeakPolarHBondContact CG1-OE1 3.11Å; S321-E464 WeakPolarHBondContact CB-OE1 3.37Å; S321-E464 WeakPolarHBondContact CB-OE2 3.34Å; S321-E464 PolarHBondContact OG-OE1 2.8Å; S321-E464 PolarHBondContact OG-OE2 2.83Å; T325-E464 WeakPolarHBondContact CB-OE2 3.5Å; T325-E464 HydrophobicContact CG2-CG 4.25Å; T325-E464 VanDerWaalsContact CG2-OE2 3.31Å; T325-E464 WeakPolarHBondContact CG2-OE2 3.23Å; T325-E464 PolarHBondContact OG1-OE2 3.32Å; T325-E464 VanDerWaalsContact OG1-OE2 3.06Å; F460-E464 WeakPolarHBondContact O-CB 3.38Å; F460-E464 PolarHBondContact O-N 3.25Å; E464-K466 VanDerWaalsContact C-N 3.3Å; E464-K466 PolarHBondContact O-N 2.84Å; E464-V467 PolarHBondContact O-N 3.37Å; E464-V468 WeakPolarHBondContact O-CG2 3.4Å; E464-V468 PolarHBondContact O-N 2.91Å |
| 465 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T325 L329 L375 A461 M463 M469 | T325-A465 HydrophobicContact CG2-CB 3.93Å; L329-A465 HydrophobicContact CD2-CB 3.95Å; L329-A465 HydrophobicContact CG-CB 4.41Å; L375-A465 HydrophobicContact CD1-CB 4.05Å; L375-A465 HydrophobicContact CD2-CB 4.31Å; A461-A465 WeakPolarHBondContact O-CB 3.48Å; A461-A465 PolarHBondContact O-N 3.16Å; M463-A465 PolarHBondContact O-N 2.86Å; A465-M469 WeakPolarHBondContact O-CB 3.33Å; A465-M469 VanDerWaalsContact O-CG 3.32Å; A465-M469 WeakPolarHBondContact O-CG 3.37Å; A465-M469 PolarHBondContact O-N 2.89Å |
| 466 | K | 95.9 | Very high | 94.5 | Very high | 33 Ų | 33 | 19.7 Ų | 19.7 | 14% | 0.143 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.5 | -43.7 | 178.1 | -74.5 | 179 | 171.3 | -163.6 | 0 | 112.5 | L365 L371 S372 L375 Q462 M463 E464 A470 | L365-K466 HydrophobicContact CB-CD 4.21Å; L365-K466 HydrophobicContact CD2-CB 3.8Å; L365-K466 PolarHBondContact O-NZ 3.24Å; L371-K466 HydrophobicContact CD2-CB 4.4Å; L371-K466 HydrophobicContact CD2-CG 4.38Å; S372-K466 WeakPolarHBondContact OG-CE 3.05Å; S372-K466 PolarHBondContact OG-NZ 3.03Å; L375-K466 HydrophobicContact CD1-CG 3.79Å; Q462-K466 WeakPolarHBondContact O-CB 3.47Å; Q462-K466 VanDerWaalsContact O-CG 3.24Å; Q462-K466 WeakPolarHBondContact O-CG 3.46Å; Q462-K466 PolarHBondContact O-N 3.46Å; M463-K466 PolarHBondContact O-N 3.17Å; E464-K466 VanDerWaalsContact C-N 3.3Å; E464-K466 PolarHBondContact O-N 2.84Å; K466-A470 WeakPolarHBondContact O-CB 3.32Å; K466-A470 PolarHBondContact O-N 3.43Å |
| 467 | V | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.2 | -47.7 | 179.2 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | M166 F169 A173 L365 M463 E464 K471 | M166-V467 HydrophobicContact CE-CG2 3.76Å; F169-V467 HydrophobicContact CB-CG1 4.49Å; F169-V467 HydrophobicContact CB-CG2 4.41Å; A173-V467 HydrophobicContact CB-CG1 3.8Å; L365-V467 HydrophobicContact CD1-CG2 4.1Å; L365-V467 HydrophobicContact CD2-CG2 3.88Å; M463-V467 WeakPolarHBondContact O-CG2 3.22Å; M463-V467 PolarHBondContact O-N 3.38Å; E464-V467 PolarHBondContact O-N 3.37Å; V467-K471 HydrophobicContact CG1-CD 4.16Å; V467-K471 WeakPolarHBondContact O-CB 3.26Å; V467-K471 WeakPolarHBondContact O-CG 3.42Å; V467-K471 PolarHBondContact O-N 3.21Å; V467-K471 VanDerWaalsContact O-N 3.1Å |
| 468 | V | 95.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.03 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.9 | -48.9 | -179.8 | 174 | 0 | 0 | 0 | 0 | 111.3 | A173 L176 L329 E464 L472 | A173-V468 HydrophobicContact CB-CG2 4.08Å; L176-V468 HydrophobicContact CD2-CG1 3.94Å; L329-V468 HydrophobicContact CD1-CB 4.14Å; L329-V468 HydrophobicContact CD1-CG1 3.98Å; E464-V468 WeakPolarHBondContact O-CG2 3.4Å; E464-V468 PolarHBondContact O-N 2.91Å; V468-L472 WeakPolarHBondContact O-CB 3.37Å; V468-L472 PolarHBondContact O-N 3.46Å |
| 469 | M | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.9 | -41 | 179.7 | -71.8 | -54.4 | -58.3 | 0 | 0 | 113 | L329 I333 L336 L371 L375 A465 K471 L472 L473 | L329-M469 HydrophobicContact CD2-CG 3.31Å; L329-M469 HydrophobicContact CD2-SD 3.58Å; L329-M469 VanDerWaalsContact CD2-SD 3.58Å; I333-M469 HydrophobicContact CG1-CE 4.12Å; I333-M469 HydrophobicContact CG1-SD 4.06Å; L336-M469 HydrophobicContact CD1-CE 3.68Å; L371-M469 HydrophobicContact CD1-CB 3.88Å; L371-M469 HydrophobicContact CD1-CG 4.49Å; L371-M469 HydrophobicContact CD2-CB 4.22Å; L375-M469 HydrophobicContact CD2-CG 4.22Å; A465-M469 WeakPolarHBondContact O-CB 3.33Å; A465-M469 VanDerWaalsContact O-CG 3.32Å; A465-M469 WeakPolarHBondContact O-CG 3.37Å; A465-M469 PolarHBondContact O-N 2.89Å; M469-K471 PolarHBondContact O-N 3.45Å; M469-L472 HydrophobicContact CE-CD2 4.22Å; M469-L472 PolarHBondContact O-N 2.85Å; M469-L472 HydrophobicContact SD-CD2 4.3Å; M469-L473 HydrophobicContact CE-CD1 4.41Å; M469-L473 HydrophobicContact CE-CG 4.44Å; M469-L473 WeakPolarHBondContact O-CB 3.47Å; M469-L473 VanDerWaalsContact O-CG 3.24Å; M469-L473 WeakPolarHBondContact O-CG 3.34Å; M469-L473 PolarHBondContact O-N 2.85Å |
| 470 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V350 I360 L368 L371 K466 L472 L473 Q474 | V350-A470 WeakPolarHBondContact CG1-O 3.17Å; I360-A470 HydrophobicContact CD1-CB 3.64Å; L368-A470 HydrophobicContact CD1-CB 3.85Å; L371-A470 HydrophobicContact CD2-CB 4.25Å; K466-A470 WeakPolarHBondContact O-CB 3.32Å; K466-A470 PolarHBondContact O-N 3.43Å; A470-L472 PolarHBondContact O-N 3.4Å; A470-L473 PolarHBondContact O-N 2.87Å; A470-Q474 WeakPolarHBondContact O-CB 3.39Å; A470-Q474 PolarHBondContact O-N 3.32Å |
| 471 | K | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.4 | -75 | 175.9 | 167.5 | -73.8 | 0 | 112.6 | N170 A173 E174 M177 Q358 I360 V467 M469 Q474 R475 | N170-K471 WeakPolarHBondContact OD1-CE 3.41Å; A173-K471 HydrophobicContact CB-CD 3.62Å; E174-K471 IonicContact OE2-NZ 2.96Å; E174-K471 PolarHBondContact OE2-NZ 3.33Å; M177-K471 HydrophobicContact CE-CB 4.29Å; M177-K471 HydrophobicContact CG-CB 3.85Å; M177-K471 HydrophobicContact CG-CD 4.45Å; M177-K471 HydrophobicContact SD-CB 3.75Å; Q358-K471 PolarHBondContact O-NZ 2.91Å; I360-K471 HydrophobicContact CD1-CG 3.81Å; V467-K471 HydrophobicContact CG1-CD 4.16Å; V467-K471 WeakPolarHBondContact O-CB 3.26Å; V467-K471 WeakPolarHBondContact O-CG 3.42Å; V467-K471 PolarHBondContact O-N 3.21Å; V467-K471 VanDerWaalsContact O-N 3.1Å; M469-K471 PolarHBondContact O-N 3.45Å; K471-Q474 PolarHBondContact O-N 3.28Å; K471-R475 PolarHBondContact O-N 3.35Å |
| 472 | L | 95.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -51.9 | 176.9 | -179.6 | 66.6 | 0 | 0 | 0 | 111.3 | M177 L180 M192 I333 V468 M469 A470 Q474 R475 F476 F478 | M177-L472 HydrophobicContact CE-CB 4.23Å; M177-L472 HydrophobicContact SD-CB 4.5Å; L180-L472 HydrophobicContact CD1-CD1 3.64Å; M192-L472 HydrophobicContact CE-CD1 3.92Å; M192-L472 HydrophobicContact CE-CD2 4.05Å; I333-L472 HydrophobicContact CD1-CD2 3.81Å; I333-L472 HydrophobicContact CG1-CD2 3.84Å; V468-L472 WeakPolarHBondContact O-CB 3.37Å; V468-L472 PolarHBondContact O-N 3.46Å; M469-L472 HydrophobicContact CE-CD2 4.22Å; M469-L472 PolarHBondContact O-N 2.85Å; M469-L472 HydrophobicContact SD-CD2 4.3Å; A470-L472 PolarHBondContact O-N 3.4Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 3.49Å; L472-R475 PolarHBondContact O-N 3.36Å; L472-F476 HydrophobicContact CD1-CB 4.35Å; L472-F476 HydrophobicContact CD1-CD2 4.14Å; L472-F476 PolarHBondContact O-N 3.38Å; L472-F478 HydrophobicContact CD2-CD1 4.4Å; L472-F478 HydrophobicContact CD2-CE1 4.11Å; L472-F478 HydrophobicContact CG-CD1 4.35Å; L472-F478 HydrophobicContact CG-CE1 4.26Å |
| 473 | L | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.7 | -30.2 | -178.7 | -66.9 | 167.8 | 0 | 0 | 0 | 112.9 | L336 L343 V346 V350 L371 M469 A470 F478 R507 | L336-L473 HydrophobicContact CD1-CD2 4.33Å; L343-L473 HydrophobicContact CD1-CD2 3.4Å; L343-L473 VanDerWaalsContact CD1-CD2 3.4Å; V346-L473 HydrophobicContact CG1-CD1 3.87Å; V346-L473 HydrophobicContact CG1-CD2 4.28Å; V346-L473 HydrophobicContact CG2-CD1 3.95Å; V350-L473 HydrophobicContact CG1-CB 4.41Å; V350-L473 HydrophobicContact CG2-CB 4.25Å; V350-L473 HydrophobicContact CG2-CD1 4.09Å; L371-L473 HydrophobicContact CD1-CD1 4.16Å; M469-L473 HydrophobicContact CE-CD1 4.41Å; M469-L473 HydrophobicContact CE-CG 4.44Å; M469-L473 WeakPolarHBondContact O-CB 3.47Å; M469-L473 VanDerWaalsContact O-CG 3.24Å; M469-L473 WeakPolarHBondContact O-CG 3.34Å; M469-L473 PolarHBondContact O-N 2.85Å; A470-L473 PolarHBondContact O-N 2.87Å; L473-F478 HydrophobicContact CD2-CE1 3.97Å; L473-F478 HydrophobicContact CD2-CZ 4.38Å; L473-R507 PolarHBondContact O-NH1 3.17Å; L473-R507 VanDerWaalsContact O-NH1 3.16Å |
| 474 | Q | 94.5 | Very high | 93.7 | Very high | 25 Ų | 25 | 29.4 Ų | 29.4 | 12% | 0.117 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 176.5 | -178.8 | -171.3 | 40.9 | 0 | 0 | 111.9 | V350 G355 K357 A470 K471 L472 | V350-Q474 HydrophobicContact CG1-CB 4Å; G355-Q474 PolarHBondContact O-NE2 2.82Å; K357-Q474 PolarHBondContact O-NE2 2.93Å; A470-Q474 WeakPolarHBondContact O-CB 3.39Å; A470-Q474 PolarHBondContact O-N 3.32Å; K471-Q474 PolarHBondContact O-N 3.28Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 3.49Å |
| 475 | R | 92.9 | Very high | 93.3 | Very high | 58 Ų | 58 | 32 Ų | 32 | 22% | 0.219 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -111 | -23.5 | -165.2 | -64.1 | -175.7 | -172.5 | -174.1 | 5 | 115.3 | E174 K471 L472 R507 | E174-R475 VanDerWaalsContact CD-NH1 3.32Å; E174-R475 VanDerWaalsContact CD-NH2 3.26Å; E174-R475 IonicContact OE1-CZ 3.32Å; E174-R475 IonicContact OE1-NH1 3.76Å; E174-R475 PolarHBondContact OE1-NH1 3.31Å; E174-R475 IonicContact OE1-NH2 3.55Å; E174-R475 PolarHBondContact OE1-NH2 3.48Å; E174-R475 IonicContact OE2-CZ 3.81Å; E174-R475 IonicContact OE2-NH1 3.83Å; E174-R475 PolarHBondContact OE2-NH1 2.9Å; E174-R475 IonicContact OE2-NH2 2.7Å; E174-R475 PolarHBondContact OE2-NH2 2.89Å; K471-R475 PolarHBondContact O-N 3.35Å; L472-R475 PolarHBondContact O-N 3.36Å; R475-R507 WeakPolarHBondContact O-CB 3.39Å; R475-R507 PolarHBondContact O-N 3.07Å |
| 476 | F | 95 | Very high | 92.9 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.3 | -166.8 | -60 | -72.7 | 0 | 0 | 0 | 112.4 | M177 L180 A184 L472 I504 K505 H506 | M177-F476 HydrophobicContact CB-CE2 4.21Å; M177-F476 WeakPolarHBondContact O-CZ 3.37Å; M177-F476 HydrophobicContact SD-CD2 4.05Å; M177-F476 HydrophobicContact SD-CE2 3.71Å; L180-F476 HydrophobicContact CB-CD2 4.38Å; L180-F476 HydrophobicContact CB-CE1 4.28Å; L180-F476 HydrophobicContact CB-CE2 3.86Å; L180-F476 HydrophobicContact CB-CZ 3.8Å; L180-F476 HydrophobicContact CD1-CD2 4.47Å; L180-F476 HydrophobicContact CD1-CE2 4.43Å; A184-F476 HydrophobicContact CB-CD1 4.13Å; A184-F476 HydrophobicContact CB-CE1 3.85Å; L472-F476 HydrophobicContact CD1-CB 4.35Å; L472-F476 HydrophobicContact CD1-CD2 4.14Å; L472-F476 PolarHBondContact O-N 3.38Å; F476-I504 HydrophobicContact CB-CG2 3.95Å; F476-I504 HydrophobicContact CD1-CG2 3.45Å; F476-I504 VanDerWaalsContact CD1-CG2 3.45Å; F476-I504 HydrophobicContact CE1-CG2 4.17Å; F476-I504 HydrophobicContact CG-CG2 3.85Å; F476-K505 VanDerWaalsContact CA-O 3.31Å; F476-K505 WeakPolarHBondContact CA-O 3.35Å; F476-H506 AromaticContact CE1-CE1 3.58Å; F476-H506 AromaticContact CE1-ND1 3.71Å |
| 477 | D | 93.4 | Very high | 92.6 | Very high | 78 Ų | 78 | 38.5 Ų | 38.5 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 133.9 | 160.2 | -64.5 | -38.1 | 0 | 0 | 0 | 108.2 | K505 R507 | D477-K505 HydrophobicContact CB-CB 4.47Å; D477-K505 PolarHBondContact N-O 3.47Å; D477-K505 PolarHBondContact O-N 2.89Å; D477-R507 IonicContact OD1-NE 2.64Å |
| 478 | F | 93.9 | Very high | 92.3 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.8 | 179.9 | 61.5 | -94 | 0 | 0 | 0 | 112.1 | I333 L336 A337 L343 L472 L473 C502 T503 I504 | I333-F478 HydrophobicContact CB-CE2 4.43Å; I333-F478 HydrophobicContact CG2-CD2 3.88Å; I333-F478 HydrophobicContact CG2-CE2 3.7Å; I333-F478 HydrophobicContact CG2-CZ 4.34Å; I333-F478 WeakPolarHBondContact O-CE2 3.47Å; L336-F478 HydrophobicContact CB-CE2 4.28Å; L336-F478 HydrophobicContact CB-CZ 4.08Å; L336-F478 HydrophobicContact CD1-CZ 4.37Å; A337-F478 HydrophobicContact CB-CD2 4.22Å; A337-F478 HydrophobicContact CB-CE2 4.09Å; L343-F478 HydrophobicContact CD1-CE1 4.25Å; L343-F478 HydrophobicContact CD1-CZ 4.02Å; L472-F478 HydrophobicContact CD2-CD1 4.4Å; L472-F478 HydrophobicContact CD2-CE1 4.11Å; L472-F478 HydrophobicContact CG-CD1 4.35Å; L472-F478 HydrophobicContact CG-CE1 4.26Å; L473-F478 HydrophobicContact CD2-CE1 3.97Å; L473-F478 HydrophobicContact CD2-CZ 4.38Å; F478-C502 HydrophobicContact CB-CB 4.37Å; F478-T503 WeakPolarHBondContact CA-O 3.33Å; F478-I504 HydrophobicContact CB-CD1 3.59Å |
| 479 | S | 93 | Very high | 92 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 43% | 0.427 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 140.5 | 174.4 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | C502 T503 | S479-C502 CarbonylContact O-C 3.36Å; S479-C502 VanDerWaalsContact O-CA 3.25Å; S479-C502 WeakPolarHBondContact O-CA 3.3Å; S479-T503 PolarHBondContact N-O 3.43Å; S479-T503 VanDerWaalsContact N-O 3.12Å; S479-T503 PolarHBondContact O-N 3.38Å; S479-T503 PolarHBondContact O-OG1 3.03Å; S479-T503 PolarHBondContact OG-OG1 3.35Å |
| 480 | L | 93.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 20% | 0.199 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 139.2 | 177.8 | -72.1 | 167.6 | 0 | 0 | 0 | 111 | M334 A337 F486 V500 | M334-L480 HydrophobicContact CG-CD1 4.16Å; A337-L480 HydrophobicContact CB-CB 4.43Å; A337-L480 HydrophobicContact CB-CD1 3.75Å; A337-L480 HydrophobicContact CB-CG 3.57Å; L480-F486 HydrophobicContact CD1-CE1 4.03Å; L480-F486 HydrophobicContact CD1-CZ 4.16Å; L480-V500 HydrophobicContact CD2-CG1 3.97Å |
| 481 | I | 91.7 | Very high | 90.8 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 26% | 0.256 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 135.6 | 169.8 | -63.6 | -166.3 | 0 | 0 | 0 | 109.9 | P189 Q484 I501 T503 | P189-I481 HydrophobicContact CB-CD1 3.42Å; P189-I481 VanDerWaalsContact CB-CD1 3.42Å; P189-I481 HydrophobicContact CG-CD1 3.42Å; P189-I481 VanDerWaalsContact CG-CD1 3.42Å; I481-Q484 PolarHBondContact O-NE2 2.89Å; I481-I501 HydrophobicContact CD1-CG2 3.67Å; I481-I501 HydrophobicContact CG1-CG2 4.16Å; I481-I501 PolarHBondContact N-O 2.92Å; I481-T503 HydrophobicContact CD1-CG2 4.37Å; I481-T503 HydrophobicContact CG1-CG2 4.18Å |
| 482 | P | 88.4 | Confident | 90 | Very high | 124 Ų | 124 | 44.8 Ų | 44.8 | 81% | 0.805 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 147.2 | 177 | -25.5 | 34.2 | 0 | 0 | 0 | 113.3 | ||
| 483 | G | 83.3 | Confident | 89.5 | Confident | 81 Ų | 81 | 45.1 Ų | 45.1 | 84% | 0.835 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | 1.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 484 | Q | 89.1 | Confident | 89.3 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | trans | -77.3 | 143.7 | 170.6 | -68.7 | 176.9 | 89.5 | 0 | 0 | 111.6 | I481 I501 | I481-Q484 PolarHBondContact O-NE2 2.89Å; Q484-I501 PolarHBondContact NE2-O 2.95Å | ||
| 485 | T | 86.7 | Confident | 89.1 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 34% | 0.344 | 27% | 0.27 | S | S | . | . | trans | -94.2 | 147.9 | 175.4 | 69.6 | 0 | 0 | 0 | 0 | 110.6 | D487 S498 | T485-D487 PolarHBondContact O-N 2.84Å; T485-S498 PolarHBondContact N-OG 3.04Å; T485-S498 PolarHBondContact OG1-OG 2.96Å | ||
| 486 | F | 86.1 | Confident | 89.1 | Confident | 82 Ų | 82 | 43 Ų | 43 | 36% | 0.36 | 26% | 0.26 | S | S | . | . | trans | -90.1 | 17.9 | 173.1 | -60.1 | -88.7 | 0 | 0 | 0 | 112.1 | M334 R338 L480 | M334-F486 HydrophobicContact CE-CD1 3.87Å; M334-F486 HydrophobicContact CG-CD1 3.63Å; M334-F486 HydrophobicContact CG-CE1 3.64Å; M334-F486 HydrophobicContact SD-CD1 3.63Å; M334-F486 HydrophobicContact SD-CE1 4.24Å; M334-F486 HydrophobicContact SD-CG 4.46Å; R338-F486 HydrophobicContact CB-CE1 4.35Å; R338-F486 HydrophobicContact CG-CZ 4.47Å; L480-F486 HydrophobicContact CD1-CE1 4.03Å; L480-F486 HydrophobicContact CD1-CZ 4.16Å | ||
| 487 | D | 89.3 | Confident | 88.9 | Confident | 88 Ų | 88 | 46.7 Ų | 46.7 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | trans | -71.7 | 153.5 | -179.7 | -74.1 | -19.6 | 0 | 0 | 0 | 111.2 | T485 K497 | T485-D487 PolarHBondContact O-N 2.84Å; D487-K497 HydrophobicContact CB-CB 3.97Å; D487-K497 HydrophobicContact CB-CD 3.79Å; D487-K497 VanDerWaalsContact O-CB 3.24Å; D487-K497 WeakPolarHBondContact O-CB 3.07Å; D487-K497 PolarHBondContact O-N 3.48Å | ||
| 488 | L | 91.8 | Very high | 88.6 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 147.4 | 176.6 | -57.4 | 175.9 | 0 | 0 | 0 | 110.8 | I71 F331 Y382 Y414 L494 | I71-L488 HydrophobicContact CD1-CB 3.77Å; I71-L488 WeakPolarHBondContact CD1-O 3.28Å; I71-L488 HydrophobicContact CG1-CB 3.89Å; F331-L488 HydrophobicContact CE1-CD2 3.41Å; F331-L488 VanDerWaalsContact CE1-CD2 3.41Å; F331-L488 HydrophobicContact CZ-CD2 3.43Å; F331-L488 VanDerWaalsContact CZ-CD2 3.43Å; Y382-L488 HydrophobicContact CD1-CD1 4.49Å; Y382-L488 HydrophobicContact CD1-CD2 3.49Å; Y382-L488 VanDerWaalsContact CD1-CD2 3.49Å; Y382-L488 HydrophobicContact CE1-CD2 3.7Å; Y414-L488 HydrophobicContact CE2-CD1 3.92Å; Y414-L488 WeakPolarHBondContact OH-CD1 3.35Å; L488-L494 HydrophobicContact CD1-CD1 4.48Å |
| 489 | Q | 89.6 | Confident | 88.3 | Confident | 55 Ų | 55 | 45 Ų | 45 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.2 | 163.7 | -171 | 176.4 | 50.5 | 0 | 0 | 109 | T491 R495 K497 | Q489-T491 HydrophobicContact CG-CG2 4.13Å; Q489-R495 HydrophobicContact CB-CG 4.04Å; Q489-R495 PolarHBondContact N-O 2.99Å; Q489-R495 PolarHBondContact O-N 3.41Å; Q489-R495 VanDerWaalsContact OE1-CZ 3.23Å; Q489-K497 HydrophobicContact CB-CB 4.19Å; Q489-K497 HydrophobicContact CB-CG 4.44Å |
| 490 | D | 87.1 | Confident | 88.3 | Confident | 23 Ų | 23 | 42.1 Ų | 42.1 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 105 | 179.1 | -178.3 | -15.3 | 0 | 0 | 0 | 109.7 | I71 H73 R238 G492 L494 | I71-D490 HydrophobicContact CD1-CB 3.91Å; H73-D490 IonicContact CD2-OD2 3.19Å; H73-D490 IonicContact NE2-OD2 3.54Å; R238-D490 IonicContact CZ-OD1 2.82Å; R238-D490 IonicContact CZ-OD2 3.98Å; R238-D490 IonicContact NH1-OD1 3.81Å; R238-D490 PolarHBondContact NH1-OD1 3.41Å; R238-D490 IonicContact NH1-OD2 3.26Å; R238-D490 PolarHBondContact NH1-OD2 3.25Å; R238-D490 IonicContact NH2-OD1 2.67Å; R238-D490 PolarHBondContact NH2-OD1 3.43Å; R238-D490 IonicContact NH2-OD2 2.79Å; R238-D490 PolarHBondContact NH2-OD2 2.98Å; D490-G492 PolarHBondContact OD1-N 3.4Å; D490-G492 VanDerWaalsContact OD1-N 3.13Å; D490-L494 HydrophobicContact CB-CD2 4.04Å |
| 491 | T | 80.8 | Confident | 88.4 | Confident | 10 Ų | 10 | 43 Ų | 43 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -111.7 | 22.5 | 177.1 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | Q489 T493 R495 | Q489-T491 HydrophobicContact CG-CG2 4.13Å; T491-T493 VanDerWaalsContact C-N 3.32Å; T491-T493 PolarHBondContact N-O 2.87Å; T491-R495 WeakPolarHBondContact OG1-CD 3.27Å |
| 492 | G | 77.4 | Confident | 88.5 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 33% | 0.33 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 103.1 | -33.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D490 | D490-G492 PolarHBondContact OD1-N 3.4Å; D490-G492 VanDerWaalsContact OD1-N 3.13Å |
| 493 | T | 86.7 | Confident | 88.8 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -110.3 | 157.4 | 157.8 | 50.1 | 0 | 0 | 0 | 0 | 109.1 | E323 T324 T384 T491 | E323-T493 HydrophobicContact CB-CG2 4.2Å; E323-T493 PolarHBondContact OE2-OG1 3.49Å; T324-T493 HydrophobicContact CG2-CG2 4.33Å; T384-T493 WeakPolarHBondContact O-CA 3.44Å; T384-T493 WeakPolarHBondContact O-CB 3.5Å; T491-T493 VanDerWaalsContact C-N 3.32Å; T491-T493 PolarHBondContact N-O 2.87Å |
| 494 | L | 91 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 133.1 | 170.4 | -60 | -174.9 | 0 | 0 | 0 | 109.9 | I71 N327 F331 P383 T384 P386 Y414 L488 D490 | I71-L494 HydrophobicContact CG2-CD2 4.44Å; N327-L494 WeakPolarHBondContact CB-O 3.32Å; F331-L494 HydrophobicContact CE2-CB 4.45Å; F331-L494 WeakPolarHBondContact CE2-O 3.47Å; P383-L494 WeakPolarHBondContact O-CD1 3.47Å; T384-L494 PolarHBondContact O-N 2.88Å; T384-L494 VanDerWaalsContact O-N 3.1Å; P386-L494 HydrophobicContact CB-CD1 4.27Å; Y414-L494 HydrophobicContact CD2-CD1 3.49Å; Y414-L494 VanDerWaalsContact CD2-CD1 3.49Å; Y414-L494 HydrophobicContact CE2-CD1 3.56Å; L488-L494 HydrophobicContact CD1-CD1 4.48Å; D490-L494 HydrophobicContact CB-CD2 4.04Å |
| 495 | R | 91.3 | Very high | 89.5 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 158.9 | 176.6 | 70.6 | -175.7 | -168.7 | -180 | 5.6 | 112.6 | E227 N327 Q489 T491 K497 | E227-R495 IonicContact OE1-NH1 2.72Å; E227-R495 IonicContact OE1-NH2 2.7Å; N327-R495 HydrophobicContact CB-CB 4.42Å; N327-R495 WeakPolarHBondContact OD1-CB 3.36Å; Q489-R495 HydrophobicContact CB-CG 4.04Å; Q489-R495 PolarHBondContact N-O 2.99Å; Q489-R495 PolarHBondContact O-N 3.41Å; Q489-R495 VanDerWaalsContact OE1-CZ 3.23Å; T491-R495 WeakPolarHBondContact OG1-CD 3.27Å; R495-K497 PolarHBondContact O-N 2.91Å |
| 496 | P | 92.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 127.9 | 175.2 | -21.3 | 32.3 | 0 | 0 | 0 | 111.9 | A330 F331 M334 G499 V500 | A330-P496 HydrophobicContact CB-CG 4.07Å; F331-P496 HydrophobicContact CD1-CG 3.74Å; F331-P496 HydrophobicContact CE1-CB 4.17Å; F331-P496 HydrophobicContact CE1-CG 3.61Å; F331-P496 HydrophobicContact CG-CG 4.25Å; F331-P496 HydrophobicContact CZ-CG 4.04Å; M334-P496 HydrophobicContact SD-CB 4.44Å; P496-G499 WeakPolarHBondContact CB-O 3.46Å; P496-G499 PolarHBondContact O-N 3.12Å; P496-V500 HydrophobicContact CB-CG2 4Å; P496-V500 HydrophobicContact CG-CG2 3.78Å |
| 497 | K | 90.4 | Very high | 89.8 | Confident | 84 Ų | 84 | 38.3 Ų | 38.3 | 37% | 0.365 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -42.5 | -175.7 | -175.7 | 177.2 | -179.8 | 176.9 | 0 | 113 | D487 Q489 R495 G499 | D487-K497 HydrophobicContact CB-CB 3.97Å; D487-K497 HydrophobicContact CB-CD 3.79Å; D487-K497 VanDerWaalsContact O-CB 3.24Å; D487-K497 WeakPolarHBondContact O-CB 3.07Å; D487-K497 PolarHBondContact O-N 3.48Å; Q489-K497 HydrophobicContact CB-CB 4.19Å; Q489-K497 HydrophobicContact CB-CG 4.44Å; R495-K497 PolarHBondContact O-N 2.91Å; K497-G499 PolarHBondContact O-N 3.18Å |
| 498 | S | 87.4 | Confident | 88.8 | Confident | 43 Ų | 43 | 47 Ų | 47 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 3.6 | 177.7 | -68.5 | 0 | 0 | 0 | 0 | 113.5 | T485 | T485-S498 PolarHBondContact N-OG 3.04Å; T485-S498 PolarHBondContact OG1-OG 2.96Å |
| 499 | G | 88.1 | Confident | 88.7 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | trans | 69.8 | -157.8 | -162.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P496 K497 | P496-G499 WeakPolarHBondContact CB-O 3.46Å; P496-G499 PolarHBondContact O-N 3.12Å; K497-G499 PolarHBondContact O-N 3.18Å | ||
| 500 | V | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -140.4 | 99.9 | 173.8 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | N191 M192 L193 A330 I333 M334 L480 P496 | N191-V500 CarbonylContact C-O 3.51Å; M192-V500 HydrophobicContact CB-CB 4.18Å; M192-V500 HydrophobicContact CB-CG1 3.94Å; M192-V500 WeakPolarHBondContact CB-O 3.44Å; M192-V500 HydrophobicContact CG-CG1 4.4Å; M192-V500 PolarHBondContact N-O 2.9Å; L193-V500 HydrophobicContact CB-CB 4.36Å; L193-V500 HydrophobicContact CB-CG2 4.48Å; A330-V500 HydrophobicContact CB-CG2 3.85Å; I333-V500 HydrophobicContact CB-CG1 4.36Å; I333-V500 HydrophobicContact CG2-CG1 3.84Å; M334-V500 HydrophobicContact CB-CG2 4.3Å; L480-V500 HydrophobicContact CD2-CG1 3.97Å; P496-V500 HydrophobicContact CB-CG2 4Å; P496-V500 HydrophobicContact CG-CG2 3.78Å | ||
| 501 | I | 95.3 | Very high | 88.7 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 29% | 0.292 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.9 | -176.7 | -50 | 177.9 | 0 | 0 | 0 | 108.4 | P189 A190 I481 Q484 | P189-I501 HydrophobicContact CB-CG2 3.56Å; A190-I501 CarbonylContact O-C 3.46Å; A190-I501 WeakPolarHBondContact O-CA 3.43Å; I481-I501 HydrophobicContact CD1-CG2 3.67Å; I481-I501 HydrophobicContact CG1-CG2 4.16Å; I481-I501 PolarHBondContact N-O 2.92Å; Q484-I501 PolarHBondContact NE2-O 2.95Å |
| 502 | C | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.6 | -176 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | A190 M192 F478 S479 I504 | A190-C502 PolarHBondContact N-O 2.92Å; A190-C502 PolarHBondContact O-N 3.46Å; M192-C502 HydrophobicContact CG-CB 3.88Å; F478-C502 HydrophobicContact CB-CB 4.37Å; S479-C502 CarbonylContact O-C 3.36Å; S479-C502 VanDerWaalsContact O-CA 3.25Å; S479-C502 WeakPolarHBondContact O-CA 3.3Å; C502-I504 HydrophobicContact CB-CD1 3.85Å |
| 503 | T | 93.5 | Very high | 89.9 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.4 | 155.6 | 53.3 | 0 | 0 | 0 | 0 | 108.3 | F478 S479 I481 | F478-T503 WeakPolarHBondContact CA-O 3.33Å; S479-T503 PolarHBondContact N-O 3.43Å; S479-T503 VanDerWaalsContact N-O 3.12Å; S479-T503 PolarHBondContact O-N 3.38Å; S479-T503 PolarHBondContact O-OG1 3.03Å; S479-T503 PolarHBondContact OG-OG1 3.35Å; I481-T503 HydrophobicContact CD1-CG2 4.37Å; I481-T503 HydrophobicContact CG1-CG2 4.18Å |
| 504 | I | 94.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.5 | -177 | -54.1 | -60.8 | 0 | 0 | 0 | 108.6 | L180 A184 D185 A190 M192 F476 F478 C502 | L180-I504 HydrophobicContact CD2-CG1 4.2Å; A184-I504 WeakPolarHBondContact CA-O 3.42Å; A184-I504 HydrophobicContact CB-CG2 4.02Å; D185-I504 PolarHBondContact N-O 3.02Å; A190-I504 HydrophobicContact CB-CD1 4.41Å; A190-I504 HydrophobicContact CB-CG1 3.69Å; M192-I504 HydrophobicContact SD-CD1 3.9Å; F476-I504 HydrophobicContact CB-CG2 3.95Å; F476-I504 HydrophobicContact CD1-CG2 3.45Å; F476-I504 VanDerWaalsContact CD1-CG2 3.45Å; F476-I504 HydrophobicContact CE1-CG2 4.17Å; F476-I504 HydrophobicContact CG-CG2 3.85Å; F478-I504 HydrophobicContact CB-CD1 3.59Å; C502-I504 HydrophobicContact CB-CD1 3.85Å |
| 505 | K | 93.2 | Very high | 90 | Very high | 124 Ų | 124 | 59.9 Ų | 59.9 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.5 | 174.3 | -70.4 | -178.8 | 179.8 | 176.6 | 0 | 110.3 | D185 F476 D477 R507 | D185-K505 VanDerWaalsContact OD1-CA 3.31Å; D185-K505 WeakPolarHBondContact OD1-CA 3.45Å; D185-K505 WeakPolarHBondContact OD1-CB 3.5Å; F476-K505 VanDerWaalsContact CA-O 3.31Å; F476-K505 WeakPolarHBondContact CA-O 3.35Å; D477-K505 HydrophobicContact CB-CB 4.47Å; D477-K505 PolarHBondContact N-O 3.47Å; D477-K505 PolarHBondContact O-N 2.89Å; K505-R507 PolarHBondContact O-N 3.32Å |
| 506 | H | 92.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 130.9 | 169.6 | -82.9 | -66.3 | 0 | 0 | 0 | 109.9 | S181 D185 F476 | S181-H506 PolarHBondContact OG-CE1 3.46Å; S181-H506 PolarHBondContact OG-NE2 3.23Å; S181-H506 VanDerWaalsContact OG-NE2 3.11Å; D185-H506 PolarHBondContact OD1-N 3.15Å; D185-H506 IonicContact OD2-CD2 2.73Å; D185-H506 PolarHBondContact OD2-CD2 3.32Å; D185-H506 VanDerWaalsContact OD2-CD2 3.31Å; D185-H506 IonicContact OD2-CG 2.63Å; F476-H506 AromaticContact CE1-CE1 3.58Å; F476-H506 AromaticContact CE1-ND1 3.71Å |
| 507 | R | 86.6 | Confident | 89.7 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 28% | 0.283 | 32% | 0.316 | S | S | . | . | trans | -75 | 134.5 | 175.1 | -164.7 | 165.5 | 170.7 | -125.6 | -17.8 | 109.2 | T347 D351 L473 R475 D477 K505 | T347-R507 VanDerWaalsContact CG2-NH2 3.29Å; D351-R507 IonicContact OD1-CZ 2.74Å; D351-R507 IonicContact OD1-NH1 2.72Å; D351-R507 PolarHBondContact OD1-NH1 3.26Å; D351-R507 IonicContact OD1-NH2 3.63Å; D351-R507 IonicContact OD2-CZ 3.09Å; D351-R507 IonicContact OD2-NH1 2.86Å; D351-R507 PolarHBondContact OD2-NH1 3.1Å; D351-R507 IonicContact OD2-NH2 2.93Å; D351-R507 PolarHBondContact OD2-NH2 3.31Å; L473-R507 PolarHBondContact O-NH1 3.17Å; L473-R507 VanDerWaalsContact O-NH1 3.16Å; R475-R507 WeakPolarHBondContact O-CB 3.39Å; R475-R507 PolarHBondContact O-N 3.07Å; D477-R507 IonicContact OD1-NE 2.64Å; K505-R507 PolarHBondContact O-N 3.32Å | ||
| 508 | K | 68.9 | Low | 89.7 | Confident | 270 Ų | 270 | 65 Ų | 65 | 100% | 1.174 | 31% | 0.312 | S | S | * | . | trans | -83.5 | 0 | -173.7 | -72.3 | -173.7 | 178.1 | -179 | 0 | 113.6 |
Retrieved 508 of 508 residues in 416 ms
(Link to these results)