| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.5 | Very low | 55.5 | Low | 216 Ų | 216 | 130.6 Ų | 130.6 | 100% | 1.064 | 65% | 0.647 | S | S | * | * | 0 | 80.7 | 0 | -70 | 146.6 | 87.7 | 0 | 0 | 107.1 | |||||
| 2 | N | 53.9 | Low | 56.6 | Low | 133 Ų | 133 | 131.7 Ų | 131.7 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | -106.3 | -0.4 | -162.9 | -80.3 | 13 | 0 | 0 | 0 | 114.9 | ||||
| 3 | M | 52.6 | Low | 57.8 | Low | 143 Ų | 143 | 127.4 Ų | 127.4 | 70% | 0.704 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -88.3 | -35.4 | -172.3 | -64.7 | -63.1 | -81 | 0 | 0 | 113.2 | Y5 L6 Q7 | M3-Y5 VanDerWaalsContact C-N 3.28Å; M3-Y5 PolarHBondContact O-N 3.5Å; M3-L6 CarbonylContact O-C 3.6Å; M3-L6 WeakPolarHBondContact O-CA 3.27Å; M3-L6 WeakPolarHBondContact O-CB 3.44Å; M3-L6 PolarHBondContact O-N 3.49Å; M3-L6 VanDerWaalsContact O-N 3.09Å; M3-L6 HydrophobicContact SD-CD1 4.21Å; M3-Q7 PolarHBondContact O-N 2.87Å |
| 4 | D | 53.4 | Low | 59 | Low | 118 Ų | 118 | 129.4 Ų | 129.4 | 63% | 0.631 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68 | -30.5 | 178.5 | -49.6 | -54.7 | 0 | 0 | 0 | 112 | L6 Q7 N8 | D4-L6 VanDerWaalsContact C-N 3.33Å; D4-Q7 PolarHBondContact O-N 3.03Å; D4-N8 PolarHBondContact O-N 3.49Å |
| 5 | Y | 54.7 | Low | 60 | Low | 195 Ų | 195 | 129.9 Ų | 129.9 | 77% | 0.765 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.5 | -33 | 173.2 | -145.6 | -92 | 0 | 0 | 0 | 112.1 | M3 N8 S9 | M3-Y5 VanDerWaalsContact C-N 3.28Å; M3-Y5 PolarHBondContact O-N 3.5Å; Y5-N8 WeakPolarHBondContact O-CB 3.16Å; Y5-N8 PolarHBondContact O-N 2.89Å; Y5-S9 PolarHBondContact O-N 3.5Å; Y5-S9 VanDerWaalsContact O-N 3.1Å |
| 6 | L | 54.1 | Low | 61.1 | Low | 88 Ų | 88 | 129.3 Ų | 129.3 | 46% | 0.461 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.1 | -35.6 | 170.7 | -87.6 | 161.2 | 0 | 0 | 0 | 111.8 | M3 D4 N8 S9 F10 | M3-L6 CarbonylContact O-C 3.6Å; M3-L6 WeakPolarHBondContact O-CA 3.27Å; M3-L6 WeakPolarHBondContact O-CB 3.44Å; M3-L6 PolarHBondContact O-N 3.49Å; M3-L6 VanDerWaalsContact O-N 3.09Å; M3-L6 HydrophobicContact SD-CD1 4.21Å; D4-L6 VanDerWaalsContact C-N 3.33Å; L6-N8 VanDerWaalsContact C-N 3.26Å; L6-N8 PolarHBondContact O-N 2.81Å; L6-S9 CarbonylContact O-C 3.5Å; L6-S9 WeakPolarHBondContact O-CA 3.3Å; L6-S9 WeakPolarHBondContact O-CB 3.48Å; L6-S9 PolarHBondContact O-N 3.46Å; L6-F10 VanDerWaalsContact O-CD2 3.29Å; L6-F10 WeakPolarHBondContact O-CD2 3.42Å; L6-F10 PolarHBondContact O-N 3.38Å |
| 7 | Q | 54.8 | Low | 62.1 | Low | 129 Ų | 129 | 129.5 Ų | 129.5 | 60% | 0.603 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.4 | -35.2 | 171.7 | -169.5 | 159.7 | -30.4 | 0 | 0 | 111.7 | M3 D4 S9 F10 L11 | M3-Q7 PolarHBondContact O-N 2.87Å; D4-Q7 PolarHBondContact O-N 3.03Å; Q7-S9 VanDerWaalsContact C-N 3.32Å; Q7-S9 PolarHBondContact O-N 3.32Å; Q7-F10 PolarHBondContact O-N 3.21Å; Q7-L11 PolarHBondContact O-N 3.48Å |
| 8 | N | 58.4 | Low | 63.1 | Low | 103 Ų | 103 | 126.9 Ų | 126.9 | 55% | 0.551 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.4 | -34.5 | 169.2 | -132.9 | -3.6 | 0 | 0 | 0 | 112.2 | D4 Y5 L6 L11 K12 | D4-N8 PolarHBondContact O-N 3.49Å; Y5-N8 WeakPolarHBondContact O-CB 3.16Å; Y5-N8 PolarHBondContact O-N 2.89Å; L6-N8 VanDerWaalsContact C-N 3.26Å; L6-N8 PolarHBondContact O-N 2.81Å; N8-L11 PolarHBondContact O-N 2.95Å; N8-K12 WeakPolarHBondContact O-CB 3.37Å; N8-K12 PolarHBondContact O-N 3.16Å |
| 9 | S | 59.1 | Low | 64 | Low | 67 Ų | 67 | 126.5 Ų | 126.5 | 47% | 0.469 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.9 | -37.1 | 171.2 | -167.5 | 0 | 0 | 0 | 0 | 112.9 | Y5 L6 Q7 K12 S13 | Y5-S9 PolarHBondContact O-N 3.5Å; Y5-S9 VanDerWaalsContact O-N 3.1Å; L6-S9 CarbonylContact O-C 3.5Å; L6-S9 WeakPolarHBondContact O-CA 3.3Å; L6-S9 WeakPolarHBondContact O-CB 3.48Å; L6-S9 PolarHBondContact O-N 3.46Å; Q7-S9 VanDerWaalsContact C-N 3.32Å; Q7-S9 PolarHBondContact O-N 3.32Å; S9-K12 PolarHBondContact O-N 3.34Å; S9-S13 PolarHBondContact O-N 2.79Å |
| 10 | F | 58.4 | Low | 64.9 | Low | 151 Ų | 151 | 128.1 Ų | 128.1 | 66% | 0.662 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.6 | -39.6 | 172.6 | -82.1 | -74.2 | 0 | 0 | 0 | 111.9 | L6 Q7 K12 S13 Y14 | L6-F10 VanDerWaalsContact O-CD2 3.29Å; L6-F10 WeakPolarHBondContact O-CD2 3.42Å; L6-F10 PolarHBondContact O-N 3.38Å; Q7-F10 PolarHBondContact O-N 3.21Å; F10-K12 VanDerWaalsContact C-N 3.3Å; F10-K12 PolarHBondContact O-N 2.97Å; F10-S13 WeakPolarHBondContact O-CB 3.44Å; F10-S13 PolarHBondContact O-N 3Å; F10-Y14 PolarHBondContact O-N 3.08Å |
| 11 | L | 63.2 | Low | 65.8 | Low | 94 Ų | 94 | 125.5 Ų | 125.5 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58 | -44.3 | 170.2 | -124.1 | 84.3 | 0 | 0 | 0 | 111.1 | Q7 N8 S13 Y14 F15 | Q7-L11 PolarHBondContact O-N 3.48Å; N8-L11 PolarHBondContact O-N 2.95Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 3.48Å; L11-Y14 PolarHBondContact O-N 2.96Å; L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3.4Å |
| 12 | K | 69.4 | Low | 67.5 | Low | 143 Ų | 143 | 120 Ų | 120 | 62% | 0.622 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.6 | -36.8 | 178.2 | -154.7 | 170.9 | -172.8 | 178 | 0 | 112.5 | N8 S9 F10 F15 H16 | N8-K12 WeakPolarHBondContact O-CB 3.37Å; N8-K12 PolarHBondContact O-N 3.16Å; S9-K12 PolarHBondContact O-N 3.34Å; F10-K12 VanDerWaalsContact C-N 3.3Å; F10-K12 PolarHBondContact O-N 2.97Å; K12-F15 PolarHBondContact O-N 3.33Å; K12-H16 PolarHBondContact O-CD2 2.86Å; K12-H16 PolarHBondContact O-N 3.49Å |
| 13 | S | 71.5 | Confident | 68.9 | Low | 76 Ų | 76 | 117.9 Ų | 117.9 | 53% | 0.531 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65 | -43.1 | 171.7 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | S9 F10 L11 F15 H16 F17 | S9-S13 PolarHBondContact O-N 2.79Å; F10-S13 WeakPolarHBondContact O-CB 3.44Å; F10-S13 PolarHBondContact O-N 3Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 3.48Å; S13-F15 PolarHBondContact O-N 3.45Å; S13-H16 PolarHBondContact O-N 2.92Å; S13-F17 PolarHBondContact O-N 2.9Å |
| 14 | Y | 74.8 | Confident | 70.3 | Confident | 155 Ų | 155 | 114.9 Ų | 114.9 | 61% | 0.608 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -38.5 | 175.6 | -163.7 | -102 | 0 | 0 | 0 | 112.2 | F10 L11 F17 L18 | F10-Y14 PolarHBondContact O-N 3.08Å; L11-Y14 PolarHBondContact O-N 2.96Å; Y14-F17 PolarHBondContact O-N 3.37Å; Y14-L18 HydrophobicContact CD1-CD1 3.71Å; Y14-L18 HydrophobicContact CD1-CG 4.41Å; Y14-L18 HydrophobicContact CE1-CD1 3.59Å; Y14-L18 HydrophobicContact CE1-CG 4.21Å; Y14-L18 WeakPolarHBondContact O-CB 3.4Å; Y14-L18 PolarHBondContact O-N 3.01Å |
| 15 | F | 74.7 | Confident | 71.6 | Confident | 137 Ų | 137 | 114 Ų | 114 | 60% | 0.601 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 170.8 | -97.1 | -80.6 | 0 | 0 | 0 | 112.5 | L11 K12 S13 F17 L18 Q19 | L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3.4Å; K12-F15 PolarHBondContact O-N 3.33Å; S13-F15 PolarHBondContact O-N 3.45Å; F15-F17 VanDerWaalsContact C-N 3.33Å; F15-F17 PolarHBondContact O-N 2.88Å; F15-L18 PolarHBondContact O-N 2.83Å; F15-Q19 VanDerWaalsContact O-CB 3.3Å; F15-Q19 WeakPolarHBondContact O-CB 3.49Å; F15-Q19 PolarHBondContact O-N 2.97Å |
| 16 | H | 76.7 | Confident | 72.7 | Confident | 121 Ų | 121 | 108.6 Ų | 108.6 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.5 | -38.8 | 173.4 | -91.2 | -72.5 | 0 | 0 | 0 | 112.2 | K12 S13 Q19 Y20 | K12-H16 PolarHBondContact O-CD2 2.86Å; K12-H16 PolarHBondContact O-N 3.49Å; S13-H16 PolarHBondContact O-N 2.92Å; H16-Q19 PolarHBondContact O-N 2.91Å; H16-Y20 WeakPolarHBondContact O-CB 3.39Å; H16-Y20 PolarHBondContact O-N 2.97Å |
| 17 | F | 78.1 | Confident | 73.8 | Confident | 133 Ų | 133 | 108.2 Ų | 108.2 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.2 | -43.7 | 177 | -165.9 | -105 | 0 | 0 | 0 | 112 | S13 Y14 F15 Q19 Y20 I21 | S13-F17 PolarHBondContact O-N 2.9Å; Y14-F17 PolarHBondContact O-N 3.37Å; F15-F17 VanDerWaalsContact C-N 3.33Å; F15-F17 PolarHBondContact O-N 2.88Å; F17-Q19 VanDerWaalsContact C-N 3.35Å; F17-Q19 PolarHBondContact O-N 3.45Å; F17-Y20 PolarHBondContact O-N 2.85Å; F17-I21 HydrophobicContact CD1-CD1 3.77Å; F17-I21 HydrophobicContact CE1-CD1 3.5Å; F17-I21 HydrophobicContact CE1-CG1 4.41Å; F17-I21 HydrophobicContact CZ-CD1 4.21Å; F17-I21 WeakPolarHBondContact O-CG1 3.41Å; F17-I21 PolarHBondContact O-N 3.04Å |
| 18 | L | 79.7 | Confident | 74.7 | Confident | 83 Ų | 83 | 106.5 Ų | 106.5 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 171 | -86.1 | 165.7 | 0 | 0 | 0 | 112.1 | Y14 F15 Y20 I21 L22 | Y14-L18 HydrophobicContact CD1-CD1 3.71Å; Y14-L18 HydrophobicContact CD1-CG 4.41Å; Y14-L18 HydrophobicContact CE1-CD1 3.59Å; Y14-L18 HydrophobicContact CE1-CG 4.21Å; Y14-L18 WeakPolarHBondContact O-CB 3.4Å; Y14-L18 PolarHBondContact O-N 3.01Å; F15-L18 PolarHBondContact O-N 2.83Å; L18-Y20 VanDerWaalsContact C-N 3.33Å; L18-I21 PolarHBondContact O-N 2.87Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 PolarHBondContact O-N 3.38Å |
| 19 | Q | 80.2 | Confident | 75.1 | Confident | 119 Ų | 119 | 103.8 Ų | 103.8 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.7 | -35.2 | 176.6 | -170.5 | 173.8 | 2.2 | 0 | 0 | 111.6 | F15 H16 F17 L22 L23 | F15-Q19 VanDerWaalsContact O-CB 3.3Å; F15-Q19 WeakPolarHBondContact O-CB 3.49Å; F15-Q19 PolarHBondContact O-N 2.97Å; H16-Q19 PolarHBondContact O-N 2.91Å; F17-Q19 VanDerWaalsContact C-N 3.35Å; F17-Q19 PolarHBondContact O-N 3.45Å; Q19-L22 PolarHBondContact O-N 2.96Å; Q19-L23 VanDerWaalsContact O-CB 3.29Å; Q19-L23 WeakPolarHBondContact O-CB 3.36Å; Q19-L23 PolarHBondContact O-N 2.9Å |
| 20 | Y | 83.6 | Confident | 75 | Confident | 158 Ų | 158 | 106.2 Ų | 106.2 | 62% | 0.62 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.9 | -40.4 | 174.5 | -146.2 | -92.1 | 0 | 0 | 0 | 111.9 | H16 F17 L18 L23 I24 | H16-Y20 WeakPolarHBondContact O-CB 3.39Å; H16-Y20 PolarHBondContact O-N 2.97Å; F17-Y20 PolarHBondContact O-N 2.85Å; L18-Y20 VanDerWaalsContact C-N 3.33Å; Y20-L23 PolarHBondContact O-N 3.48Å; Y20-I24 HydrophobicContact CD1-CD1 3.69Å; Y20-I24 HydrophobicContact CD1-CG1 4.25Å; Y20-I24 HydrophobicContact CE1-CD1 3.94Å; Y20-I24 HydrophobicContact CE1-CG1 4.44Å; Y20-I24 WeakPolarHBondContact O-CB 3.24Å; Y20-I24 VanDerWaalsContact O-CG1 3.31Å; Y20-I24 WeakPolarHBondContact O-CG1 3.47Å; Y20-I24 PolarHBondContact O-N 2.92Å |
| 21 | I | 83.8 | Confident | 75 | Confident | 73 Ų | 73 | 103.9 Ų | 103.9 | 37% | 0.374 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 171.7 | -71.7 | 172.9 | 0 | 0 | 0 | 110.8 | F17 L18 L23 I24 I25 | F17-I21 HydrophobicContact CD1-CD1 3.77Å; F17-I21 HydrophobicContact CE1-CD1 3.5Å; F17-I21 HydrophobicContact CE1-CG1 4.41Å; F17-I21 HydrophobicContact CZ-CD1 4.21Å; F17-I21 WeakPolarHBondContact O-CG1 3.41Å; F17-I21 PolarHBondContact O-N 3.04Å; L18-I21 PolarHBondContact O-N 2.87Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 3.01Å; I21-I24 CarbonylContact O-C 3.59Å; I21-I24 PolarHBondContact O-N 2.89Å; I21-I25 HydrophobicContact CG2-CD1 3.83Å; I21-I25 HydrophobicContact CG2-CG1 4.43Å; I21-I25 VanDerWaalsContact O-CG1 3.3Å; I21-I25 WeakPolarHBondContact O-CG1 3.43Å; I21-I25 PolarHBondContact O-N 3.49Å |
| 22 | L | 82.1 | Confident | 74.4 | Confident | 102 Ų | 102 | 108.1 Ų | 108.1 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 175.1 | -167.4 | 82.2 | 0 | 0 | 0 | 110.9 | L18 Q19 I25 I26 | L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 PolarHBondContact O-N 3.38Å; Q19-L22 PolarHBondContact O-N 2.96Å; L22-I25 CarbonylContact O-C 3.55Å; L22-I25 PolarHBondContact O-N 3.46Å; L22-I26 HydrophobicContact CD2-CD1 4.31Å; L22-I26 HydrophobicContact CG-CD1 4.13Å; L22-I26 WeakPolarHBondContact O-CB 3.31Å; L22-I26 VanDerWaalsContact O-CG1 3.24Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.01Å |
| 23 | L | 83.9 | Confident | 73.5 | Confident | 87 Ų | 87 | 106.9 Ų | 106.9 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 176.7 | -162.2 | 114.1 | 0 | 0 | 0 | 111.6 | Q19 Y20 I21 I26 I27 | Q19-L23 VanDerWaalsContact O-CB 3.29Å; Q19-L23 WeakPolarHBondContact O-CB 3.36Å; Q19-L23 PolarHBondContact O-N 2.9Å; Y20-L23 PolarHBondContact O-N 3.48Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 3.01Å; L23-I26 PolarHBondContact O-N 3.17Å; L23-I27 HydrophobicContact CD2-CD1 3.73Å; L23-I27 HydrophobicContact CG-CD1 4.3Å; L23-I27 WeakPolarHBondContact O-CB 3.34Å; L23-I27 WeakPolarHBondContact O-CD1 3.41Å; L23-I27 WeakPolarHBondContact O-CG1 3.35Å; L23-I27 PolarHBondContact O-N 3.31Å |
| 24 | I | 82.1 | Confident | 72 | Confident | 81 Ų | 81 | 107.2 Ų | 107.2 | 42% | 0.415 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 171.4 | -71.1 | 168.5 | 0 | 0 | 0 | 110.9 | Y20 I21 I27 V28 | Y20-I24 HydrophobicContact CD1-CD1 3.69Å; Y20-I24 HydrophobicContact CD1-CG1 4.25Å; Y20-I24 HydrophobicContact CE1-CD1 3.94Å; Y20-I24 HydrophobicContact CE1-CG1 4.44Å; Y20-I24 WeakPolarHBondContact O-CB 3.24Å; Y20-I24 VanDerWaalsContact O-CG1 3.31Å; Y20-I24 WeakPolarHBondContact O-CG1 3.47Å; Y20-I24 PolarHBondContact O-N 2.92Å; I21-I24 CarbonylContact O-C 3.59Å; I21-I24 PolarHBondContact O-N 2.89Å; I24-I27 CarbonylContact O-C 3.6Å; I24-I27 PolarHBondContact O-N 3.08Å; I24-V28 HydrophobicContact CG2-CG2 4.26Å; I24-V28 WeakPolarHBondContact O-CB 3.28Å; I24-V28 VanDerWaalsContact O-CG2 3.27Å; I24-V28 WeakPolarHBondContact O-CG2 3.44Å; I24-V28 PolarHBondContact O-N 3.46Å |
| 25 | I | 80.5 | Confident | 70.3 | Confident | 98 Ų | 98 | 104.2 Ų | 104.2 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 174.3 | -69.8 | 166.7 | 0 | 0 | 0 | 110.5 | I21 L22 I27 V28 S29 | I21-I25 HydrophobicContact CG2-CD1 3.83Å; I21-I25 HydrophobicContact CG2-CG1 4.43Å; I21-I25 VanDerWaalsContact O-CG1 3.3Å; I21-I25 WeakPolarHBondContact O-CG1 3.43Å; I21-I25 PolarHBondContact O-N 3.49Å; L22-I25 CarbonylContact O-C 3.55Å; L22-I25 PolarHBondContact O-N 3.46Å; I25-I27 VanDerWaalsContact C-N 3.34Å; I25-V28 CarbonylContact O-C 3.56Å; I25-V28 PolarHBondContact O-N 3.07Å; I25-S29 VanDerWaalsContact O-CB 3.23Å; I25-S29 WeakPolarHBondContact O-CB 3.29Å; I25-S29 PolarHBondContact O-N 2.9Å; I25-S29 PolarHBondContact O-OG 3.5Å |
| 26 | I | 78.6 | Confident | 68.6 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 173 | -71.5 | 164.6 | 0 | 0 | 0 | 110 | L22 L23 S29 N30 | L22-I26 HydrophobicContact CD2-CD1 4.31Å; L22-I26 HydrophobicContact CG-CD1 4.13Å; L22-I26 WeakPolarHBondContact O-CB 3.31Å; L22-I26 VanDerWaalsContact O-CG1 3.24Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.01Å; L23-I26 PolarHBondContact O-N 3.17Å; I26-S29 WeakPolarHBondContact CA-OG 3.21Å; I26-S29 CarbonylContact O-C 2.99Å; I26-S29 PolarHBondContact O-N 2.89Å; I26-S29 PolarHBondContact O-OG 2.99Å; I26-N30 WeakPolarHBondContact O-CB 3.32Å; I26-N30 PolarHBondContact O-N 3.43Å; I26-N30 PolarHBondContact O-ND2 3.06Å |
| 27 | I | 76.1 | Confident | 66.7 | Low | 81 Ų | 81 | 104.8 Ų | 104.8 | 42% | 0.415 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.6 | -48.3 | 174.3 | -72.9 | 163.5 | 0 | 0 | 0 | 110.1 | L23 I24 I25 S29 N30 I31 | L23-I27 HydrophobicContact CD2-CD1 3.73Å; L23-I27 HydrophobicContact CG-CD1 4.3Å; L23-I27 WeakPolarHBondContact O-CB 3.34Å; L23-I27 WeakPolarHBondContact O-CD1 3.41Å; L23-I27 WeakPolarHBondContact O-CG1 3.35Å; L23-I27 PolarHBondContact O-N 3.31Å; I24-I27 CarbonylContact O-C 3.6Å; I24-I27 PolarHBondContact O-N 3.08Å; I25-I27 VanDerWaalsContact C-N 3.34Å; I27-S29 PolarHBondContact O-N 2.83Å; I27-N30 CarbonylContact O-C 3.58Å; I27-N30 PolarHBondContact O-N 2.93Å; I27-N30 VanDerWaalsContact O-N 3.13Å; I27-I31 HydrophobicContact CG2-CD1 3.5Å; I27-I31 HydrophobicContact CG2-CG1 4.32Å; I27-I31 VanDerWaalsContact O-CB 3.27Å; I27-I31 WeakPolarHBondContact O-CB 3.37Å; I27-I31 WeakPolarHBondContact O-CG1 3.48Å; I27-I31 PolarHBondContact O-N 2.77Å |
| 28 | V | 73.2 | Confident | 64.9 | Low | 93 Ų | 93 | 104.6 Ų | 104.6 | 56% | 0.564 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.8 | -17.6 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 112.6 | I24 I25 I31 R32 | I24-V28 HydrophobicContact CG2-CG2 4.26Å; I24-V28 WeakPolarHBondContact O-CB 3.28Å; I24-V28 VanDerWaalsContact O-CG2 3.27Å; I24-V28 WeakPolarHBondContact O-CG2 3.44Å; I24-V28 PolarHBondContact O-N 3.46Å; I25-V28 CarbonylContact O-C 3.56Å; I25-V28 PolarHBondContact O-N 3.07Å; V28-I31 CarbonylContact O-C 3.54Å; V28-R32 PolarHBondContact O-N 3.05Å |
| 29 | S | 66.6 | Low | 63.2 | Low | 46 Ų | 46 | 106.4 Ų | 106.4 | 32% | 0.322 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.2 | 4.5 | 173.2 | 61.9 | 0 | 0 | 0 | 0 | 115 | I25 I26 I27 R32 | I25-S29 VanDerWaalsContact O-CB 3.23Å; I25-S29 WeakPolarHBondContact O-CB 3.29Å; I25-S29 PolarHBondContact O-N 2.9Å; I25-S29 PolarHBondContact O-OG 3.5Å; I26-S29 WeakPolarHBondContact CA-OG 3.21Å; I26-S29 CarbonylContact O-C 2.99Å; I26-S29 PolarHBondContact O-N 2.89Å; I26-S29 PolarHBondContact O-OG 2.99Å; I27-S29 PolarHBondContact O-N 2.83Å; S29-R32 WeakPolarHBondContact O-CB 3.44Å; S29-R32 VanDerWaalsContact O-CD 3.28Å; S29-R32 WeakPolarHBondContact O-CD 3.46Å; S29-R32 VanDerWaalsContact O-CG 3.24Å; S29-R32 WeakPolarHBondContact O-CG 3.26Å |
| 30 | N | 58.8 | Low | 62.1 | Low | 118 Ų | 118 | 104.6 Ų | 104.6 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | -7.1 | 156.2 | -71.5 | -82.1 | 0 | 0 | 0 | 111.8 | I26 I27 R32 | I26-N30 WeakPolarHBondContact O-CB 3.32Å; I26-N30 PolarHBondContact O-N 3.43Å; I26-N30 PolarHBondContact O-ND2 3.06Å; I27-N30 CarbonylContact O-C 3.58Å; I27-N30 PolarHBondContact O-N 2.93Å; I27-N30 VanDerWaalsContact O-N 3.13Å; N30-R32 VanDerWaalsContact C-N 3.31Å; N30-R32 CarbonylContact C-O 3.54Å; N30-R32 CarbonylContact O-C 3.54Å; N30-R32 VanDerWaalsContact O-C 3.3Å |
| 31 | I | 57.4 | Low | 61.7 | Low | 102 Ų | 102 | 104.2 Ų | 104.2 | 52% | 0.523 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -100.8 | 21 | 151.3 | -53.7 | 166.7 | 0 | 0 | 0 | 106.5 | I27 V28 L33 | I27-I31 HydrophobicContact CG2-CD1 3.5Å; I27-I31 HydrophobicContact CG2-CG1 4.32Å; I27-I31 VanDerWaalsContact O-CB 3.27Å; I27-I31 WeakPolarHBondContact O-CB 3.37Å; I27-I31 WeakPolarHBondContact O-CG1 3.48Å; I27-I31 PolarHBondContact O-N 2.77Å; V28-I31 CarbonylContact O-C 3.54Å; I31-L33 HydrophobicContact CB-CD1 4.42Å; I31-L33 HydrophobicContact CG2-CD1 3.51Å; I31-L33 WeakPolarHBondContact O-CB 3.48Å; I31-L33 WeakPolarHBondContact O-CD1 3.49Å; I31-L33 PolarHBondContact O-N 3.02Å |
| 32 | R | 51.4 | Low | 61.9 | Low | 182 Ų | 182 | 102.5 Ų | 102.5 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | S | Bend | -46.1 | 86.1 | 97.2 | -65.6 | -178.1 | -172.5 | -173.6 | 2.5 | 110.3 | V28 S29 N30 S34 | V28-R32 PolarHBondContact O-N 3.05Å; S29-R32 WeakPolarHBondContact O-CB 3.44Å; S29-R32 VanDerWaalsContact O-CD 3.28Å; S29-R32 WeakPolarHBondContact O-CD 3.46Å; S29-R32 VanDerWaalsContact O-CG 3.24Å; S29-R32 WeakPolarHBondContact O-CG 3.26Å; N30-R32 VanDerWaalsContact C-N 3.31Å; N30-R32 CarbonylContact C-O 3.54Å; N30-R32 CarbonylContact O-C 3.54Å; N30-R32 VanDerWaalsContact O-C 3.3Å; R32-S34 VanDerWaalsContact O-CB 3.3Å; R32-S34 WeakPolarHBondContact O-CB 3.41Å; R32-S34 PolarHBondContact O-N 3.43Å; R32-S34 VanDerWaalsContact O-N 3.16Å; R32-S34 PolarHBondContact O-OG 3.36Å | |
| 33 | L | 50.2 | Low | 62.2 | Low | 118 Ų | 118 | 98.9 Ų | 98.9 | 62% | 0.618 | 54% | 0.541 | S | S | * | . | 24.1 | 61.7 | 56.5 | -83.4 | 70.8 | 0 | 0 | 0 | 107.9 | I31 S35 | I31-L33 HydrophobicContact CB-CD1 4.42Å; I31-L33 HydrophobicContact CG2-CD1 3.51Å; I31-L33 WeakPolarHBondContact O-CB 3.48Å; I31-L33 WeakPolarHBondContact O-CD1 3.49Å; I31-L33 PolarHBondContact O-N 3.02Å; L33-S35 PolarHBondContact O-N 2.84Å | |||
| 34 | S | 40.1 | Very low | 62.4 | Low | 83 Ų | 83 | 102.9 Ų | 102.9 | 58% | 0.58 | 56% | 0.557 | S | S | * | * | cis | 35.5 | 37.1 | 41.9 | 81.9 | 0 | 0 | 0 | 0 | 109.6 | R32 T36 | R32-S34 VanDerWaalsContact O-CB 3.3Å; R32-S34 WeakPolarHBondContact O-CB 3.41Å; R32-S34 PolarHBondContact O-N 3.43Å; R32-S34 VanDerWaalsContact O-N 3.16Å; R32-S34 PolarHBondContact O-OG 3.36Å; S34-T36 PolarHBondContact O-N 2.77Å | ||
| 35 | S | 38.8 | Very low | 62.8 | Low | 91 Ų | 91 | 101.9 Ų | 101.9 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | trans | -45.1 | 94.1 | 144.8 | 47.2 | 0 | 0 | 0 | 0 | 104.8 | L33 M37 | L33-S35 PolarHBondContact O-N 2.84Å; S35-M37 PolarHBondContact O-N 2.96Å | ||
| 36 | T | 38.5 | Very low | 63.4 | Low | 116 Ų | 116 | 97.8 Ų | 97.8 | 71% | 0.712 | 53% | 0.531 | S | S | * | . | trans | -69.2 | 57.7 | 168.2 | 40.3 | 0 | 0 | 0 | 0 | 107.9 | S34 D38 | S34-T36 PolarHBondContact O-N 2.77Å; T36-D38 PolarHBondContact O-N 3.23Å; T36-D38 VanDerWaalsContact O-N 3.09Å | ||
| 37 | M | 38 | Very low | 64.1 | Low | 154 Ų | 154 | 99.6 Ų | 99.6 | 76% | 0.759 | 54% | 0.54 | S | S | * | . | trans | -75.2 | 63.8 | 146.5 | -63.7 | -66.1 | 163.4 | 0 | 0 | 105.7 | S35 T39 | S35-M37 PolarHBondContact O-N 2.96Å; M37-T39 PolarHBondContact O-N 3.33Å | ||
| 38 | D | 38.7 | Very low | 64.8 | Low | 129 Ų | 129 | 97.6 Ų | 97.6 | 69% | 0.69 | 53% | 0.533 | S | S | * | . | trans | -60 | 96 | 155.6 | -82.3 | -34.7 | 0 | 0 | 0 | 104.5 | T36 T40 | T36-D38 PolarHBondContact O-N 3.23Å; T36-D38 VanDerWaalsContact O-N 3.09Å; D38-T40 PolarHBondContact O-N 3.39Å | ||
| 39 | T | 44.3 | Very low | 65.5 | Low | 122 Ų | 122 | 96.9 Ų | 96.9 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | trans | -66.1 | 94.6 | 169.5 | 31.4 | 0 | 0 | 0 | 0 | 104.7 | M37 I41 | M37-T39 PolarHBondContact O-N 3.33Å; T39-I41 VanDerWaalsContact C-N 3.33Å; T39-I41 WeakPolarHBondContact O-CG1 3.48Å; T39-I41 PolarHBondContact O-N 3.46Å | ||
| 40 | T | 56.8 | Low | 66.2 | Low | 80 Ų | 80 | 99.6 Ų | 99.6 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | trans | -59.4 | 92.4 | -173 | 33.8 | 0 | 0 | 0 | 0 | 110 | D38 C42 P67 | D38-T40 PolarHBondContact O-N 3.39Å; T40-C42 PolarHBondContact O-N 3.07Å; T40-C42 VanDerWaalsContact O-N 3.14Å; T40-P67 WeakPolarHBondContact CB-O 3.23Å; T40-P67 PolarHBondContact OG1-O 3.32Å | ||
| 41 | I | 76.6 | Confident | 67.6 | Low | 151 Ų | 151 | 97.9 Ų | 97.9 | 77% | 0.774 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 119.1 | -178.1 | -61.8 | 176.2 | 0 | 0 | 0 | 107.9 | T39 | T39-I41 VanDerWaalsContact C-N 3.33Å; T39-I41 WeakPolarHBondContact O-CG1 3.48Å; T39-I41 PolarHBondContact O-N 3.46Å |
| 42 | C | 86.9 | Confident | 69.3 | Low | 36 Ų | 36 | 100.8 Ų | 100.8 | 24% | 0.243 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 133.7 | 171.7 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | T40 Q44 C46 C48 | T40-C42 PolarHBondContact O-N 3.07Å; T40-C42 VanDerWaalsContact O-N 3.14Å; C42-Q44 PolarHBondContact O-N 3.05Å; C42-C46 PolarHBondContact SG-O 3.25Å; C42-C48 HydrophobicContact CB-CB 3.67Å; C42-C48 WeakPolarHBondContact CB-SG 3.35Å; C42-C48 WeakPolarHBondContact SG-CB 3.49Å; C42-C48 PolarHBondContact SG-N 3.44Å; C42-C48 CovalentContact SG-SG 2.03Å; C42-C48 PolarHBondContact SG-SG 2.75Å |
| 43 | P | 88.1 | Confident | 71.2 | Confident | 27 Ų | 27 | 92.1 Ų | 92.1 | 18% | 0.175 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 139.6 | 177 | -24.2 | 32.6 | 0 | 0 | 0 | 111 | Q45 C46 M53 P64 | P43-Q45 PolarHBondContact O-N 2.8Å; P43-C46 HydrophobicContact CB-CB 4.18Å; P43-C46 HydrophobicContact CG-CB 4.46Å; P43-C46 WeakPolarHBondContact O-CA 3.35Å; P43-C46 PolarHBondContact O-N 3.06Å; P43-C46 VanDerWaalsContact O-O 3.1Å; P43-M53 HydrophobicContact CG-SD 4.34Å; P43-P64 HydrophobicContact CG-CB 4.08Å |
| 44 | Q | 88.8 | Confident | 73.3 | Confident | 171 Ų | 171 | 88.5 Ų | 88.5 | 80% | 0.799 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.8 | -173.9 | -69.1 | -178.3 | -22.3 | 0 | 0 | 113.8 | C42 C46 | C42-Q44 PolarHBondContact O-N 3.05Å; Q44-C46 VanDerWaalsContact C-N 3.3Å |
| 45 | Q | 90.6 | Very high | 76 | Confident | 60 Ų | 60 | 84.6 Ų | 84.6 | 28% | 0.28 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.5 | 176.4 | -59.7 | 74.3 | 19.2 | 0 | 0 | 113.1 | P43 L57 L60 | P43-Q45 PolarHBondContact O-N 2.8Å; Q45-L57 HydrophobicContact CB-CB 4.41Å; Q45-L57 WeakPolarHBondContact O-CB 3.45Å; Q45-L60 HydrophobicContact CB-CD2 3.9Å; Q45-L60 HydrophobicContact CB-CG 3.87Å; Q45-L60 HydrophobicContact CG-CD2 4.23Å; Q45-L60 HydrophobicContact CG-CG 4.33Å |
| 46 | C | 93 | Very high | 78.6 | Confident | 11 Ų | 11 | 85.1 Ų | 85.1 | 7% | 0.074 | 46% | 0.456 | C | S | . | . | trans | -128.5 | 153.5 | -173.7 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | C42 P43 Q44 M53 N54 C55 | C42-C46 PolarHBondContact SG-O 3.25Å; P43-C46 HydrophobicContact CB-CB 4.18Å; P43-C46 HydrophobicContact CG-CB 4.46Å; P43-C46 WeakPolarHBondContact O-CA 3.35Å; P43-C46 PolarHBondContact O-N 3.06Å; P43-C46 VanDerWaalsContact O-O 3.1Å; Q44-C46 VanDerWaalsContact C-N 3.3Å; C46-M53 HydrophobicContact CB-CG 4Å; C46-M53 HydrophobicContact CB-SD 4.34Å; C46-N54 CarbonylContact C-O 3.56Å; C46-N54 VanDerWaalsContact CA-O 3.23Å; C46-N54 WeakPolarHBondContact CA-O 3.44Å; C46-C55 HydrophobicContact CB-CB 4.1Å; C46-C55 WeakPolarHBondContact CB-SG 3.31Å; C46-C55 WeakPolarHBondContact SG-CB 3.36Å; C46-C55 CovalentContact SG-SG 2.04Å; C46-C55 PolarHBondContact SG-SG 2.8Å | ||
| 47 | I | 92.3 | Very high | 81.1 | Confident | 120 Ų | 120 | 84 Ų | 84 | 62% | 0.615 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 118.8 | 171.6 | -58.4 | 175 | 0 | 0 | 0 | 106.8 | N54 | I47-N54 PolarHBondContact N-O 3.23Å; I47-N54 PolarHBondContact O-N 3.07Å |
| 48 | C | 91.3 | Very high | 83.6 | Confident | 40 Ų | 40 | 81.9 Ų | 81.9 | 27% | 0.27 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.5 | -175.6 | -54.9 | 0 | 0 | 0 | 0 | 111 | C42 P67 M68 | C42-C48 HydrophobicContact CB-CB 3.67Å; C42-C48 WeakPolarHBondContact CB-SG 3.35Å; C42-C48 WeakPolarHBondContact SG-CB 3.49Å; C42-C48 PolarHBondContact SG-N 3.44Å; C42-C48 CovalentContact SG-SG 2.03Å; C42-C48 PolarHBondContact SG-SG 2.75Å; C48-P67 HydrophobicContact CB-CG 4.34Å; C48-P67 VanDerWaalsContact SG-CG 3.57Å; C48-M68 HydrophobicContact CB-CE 4.05Å |
| 49 | S | 87.3 | Confident | 86 | Confident | 77 Ų | 77 | 77.9 Ų | 77.9 | 54% | 0.538 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 162.4 | 173.2 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | K51 R52 M68 | S49-K51 PolarHBondContact O-N 3.01Å; S49-R52 PolarHBondContact N-O 3.23Å; S49-R52 PolarHBondContact O-N 2.85Å; S49-M68 VanDerWaalsContact O-CE 3.23Å; S49-M68 WeakPolarHBondContact O-CE 3.3Å; S49-M68 VanDerWaalsContact O-SD 3.39Å |
| 50 | S | 83.3 | Confident | 88.3 | Confident | 104 Ų | 104 | 72.7 Ų | 72.7 | 73% | 0.727 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -16.2 | -159.2 | -43 | 0 | 0 | 0 | 0 | 118.4 | M68 | S50-M68 VanDerWaalsContact O-SD 3.37Š|
| 51 | K | 87.8 | Confident | 89.9 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 36% | 0.357 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.6 | 10.6 | 171.5 | -63.5 | -170.4 | 163.2 | -163.9 | 0 | 114.1 | S49 Q70 E72 Y73 | S49-K51 PolarHBondContact O-N 3.01Å; K51-Q70 VanDerWaalsContact CE-OE1 3.26Å; K51-Q70 HydrophobicContact CG-CB 4.48Å; K51-E72 HydrophobicContact CB-CB 4.41Å; K51-E72 HydrophobicContact CB-CG 4.44Å; K51-E72 HydrophobicContact CD-CG 4.17Å; K51-E72 WeakPolarHBondContact CD-OE1 3.38Å; K51-E72 IonicContact NZ-OE1 2.74Å; K51-E72 PolarHBondContact NZ-OE1 3.21Å; K51-E72 PolarHBondContact O-N 2.97Å; K51-Y73 PolarHBondContact O-N 3.26Å |
| 52 | R | 91.9 | Very high | 90.6 | Very high | 163 Ų | 163 | 74.8 Ų | 74.8 | 62% | 0.615 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.9 | -171.9 | -51.8 | -162.4 | 172.4 | 164.6 | -3.1 | 110.9 | S49 Y73 | S49-R52 PolarHBondContact N-O 3.23Å; S49-R52 PolarHBondContact O-N 2.85Å; R52-Y73 WeakPolarHBondContact CA-O 3.22Å; R52-Y73 HydrophobicContact CB-CD1 4.1Å; R52-Y73 HydrophobicContact CG-CD1 4.33Å; R52-Y73 HydrophobicContact CG-CG 4.35Å |
| 53 | M | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.5 | 170.3 | -179.6 | 163 | 65.4 | 0 | 0 | 108.7 | P43 C46 P64 P67 L71 Y73 L74 L75 | P43-M53 HydrophobicContact CG-SD 4.34Å; C46-M53 HydrophobicContact CB-CG 4Å; C46-M53 HydrophobicContact CB-SD 4.34Å; M53-P64 HydrophobicContact CE-CB 3.9Å; M53-P64 HydrophobicContact CE-CG 3.63Å; M53-P64 HydrophobicContact SD-CB 4.33Å; M53-P64 HydrophobicContact SD-CG 4.47Å; M53-P67 WeakPolarHBondContact SD-CD 3.38Å; M53-P67 HydrophobicContact SD-CG 3.91Å; M53-L71 HydrophobicContact CB-CD1 3.74Å; M53-L71 HydrophobicContact CE-CD2 4.08Å; M53-Y73 PolarHBondContact N-O 3.03Å; M53-L74 HydrophobicContact CB-CD1 4.11Å; M53-L74 HydrophobicContact CE-CD1 3.62Å; M53-L74 HydrophobicContact CG-CD1 4.16Å; M53-L74 WeakPolarHBondContact O-CA 3.45Å; M53-L75 PolarHBondContact O-N 3.13Å |
| 54 | N | 94.5 | Very high | 90.9 | Very high | 42 Ų | 42 | 73.5 Ų | 73.5 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.4 | 179.5 | -174.3 | 10.5 | 0 | 0 | 0 | 110.5 | C46 I47 E56 L75 | C46-N54 CarbonylContact C-O 3.56Å; C46-N54 VanDerWaalsContact CA-O 3.23Å; C46-N54 WeakPolarHBondContact CA-O 3.44Å; I47-N54 PolarHBondContact N-O 3.23Å; I47-N54 PolarHBondContact O-N 3.07Å; N54-E56 PolarHBondContact ND2-OE1 2.74Å; N54-E56 PolarHBondContact OD1-OE1 3.08Å; N54-L75 CarbonylContact C-O 3.56Å; N54-L75 WeakPolarHBondContact CA-O 3.49Å; N54-L75 VanDerWaalsContact OD1-CD2 3.26Å; N54-L75 WeakPolarHBondContact OD1-CD2 2.91Å; N54-L75 VanDerWaalsContact OD1-CG 3.27Å; N54-L75 WeakPolarHBondContact OD1-CG 3.06Å |
| 55 | C | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 75 | -173.7 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | C46 L60 L75 I76 Q77 Q79 | C46-C55 HydrophobicContact CB-CB 4.1Å; C46-C55 WeakPolarHBondContact CB-SG 3.31Å; C46-C55 WeakPolarHBondContact SG-CB 3.36Å; C46-C55 CovalentContact SG-SG 2.04Å; C46-C55 PolarHBondContact SG-SG 2.8Å; C55-L60 HydrophobicContact CB-CD1 3.54Å; C55-L75 PolarHBondContact N-O 2.89Å; C55-I76 HydrophobicContact CB-CG1 4.41Å; C55-Q77 PolarHBondContact O-N 3.37Å; C55-Q77 VanDerWaalsContact O-N 3.08Å; C55-Q79 PolarHBondContact O-NE2 3.43Å |
| 56 | E | 93.8 | Very high | 90.5 | Very high | 103 Ų | 103 | 67.6 Ų | 67.6 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | trans | -92.4 | -20.3 | 175.8 | -77.7 | 166.7 | -154 | 0 | 0 | 113.1 | N54 Q77 | N54-E56 PolarHBondContact ND2-OE1 2.74Å; N54-E56 PolarHBondContact OD1-OE1 3.08Å; E56-Q77 HydrophobicContact CG-CB 4.22Å | ||
| 57 | L | 92 | Very high | 89.9 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -73.8 | 127.2 | -179 | -64 | 171.2 | 0 | 0 | 0 | 109.5 | Q45 Q79 | Q45-L57 HydrophobicContact CB-CB 4.41Å; Q45-L57 WeakPolarHBondContact O-CB 3.45Å; L57-Q79 PolarHBondContact O-NE2 3Å; L57-Q79 PolarHBondContact O-OE1 3.26Å |
| 58 | P | 90.2 | Very high | 89.3 | Confident | 108 Ų | 108 | 63.6 Ų | 63.6 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -67.9 | 143.6 | -174.7 | 27.6 | -35.2 | 0 | 0 | 0 | 111.8 | ||
| 59 | G | 89.6 | Confident | 88.6 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | trans | 134.9 | 0.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K61 | G59-K61 PolarHBondContact O-N 2.85Š| ||
| 60 | L | 91.7 | Very high | 88.3 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | trans | -71 | 113.6 | 172.5 | -69.7 | 176.7 | 0 | 0 | 0 | 110.6 | Q45 C55 P64 Q79 F81 | Q45-L60 HydrophobicContact CB-CD2 3.9Å; Q45-L60 HydrophobicContact CB-CG 3.87Å; Q45-L60 HydrophobicContact CG-CD2 4.23Å; Q45-L60 HydrophobicContact CG-CG 4.33Å; C55-L60 HydrophobicContact CB-CD1 3.54Å; L60-P64 HydrophobicContact CD1-CG 4.36Å; L60-P64 HydrophobicContact CD2-CB 4.5Å; L60-Q79 HydrophobicContact CB-CB 4.39Å; L60-Q79 HydrophobicContact CB-CG 4.07Å; L60-Q79 HydrophobicContact CD1-CG 4.19Å; L60-F81 HydrophobicContact CB-CE1 4.48Å | ||
| 61 | K | 90.8 | Very high | 88.5 | Confident | 130 Ų | 130 | 63.4 Ų | 63.4 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -85.7 | -20.7 | 173.8 | -71.1 | 175.9 | 170.8 | -173.3 | 0 | 113.5 | G59 F81 I82 | G59-K61 PolarHBondContact O-N 2.85Å; K61-F81 WeakPolarHBondContact O-CA 3.41Å; K61-I82 HydrophobicContact CB-CD1 3.92Å; K61-I82 HydrophobicContact CB-CG1 4.16Å; K61-I82 HydrophobicContact CD-CD1 4.07Å; K61-I82 HydrophobicContact CG-CD1 4.21Å; K61-I82 HydrophobicContact CG-CG1 4.44Å; K61-I82 PolarHBondContact O-N 3.06Å |
| 62 | Y | 91.1 | Very high | 88.6 | Confident | 145 Ų | 145 | 61.6 Ų | 61.6 | 57% | 0.569 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -142.3 | 166.2 | -177.7 | -54.1 | -76.8 | 0 | 0 | 0 | 109.4 | I82 | Y62-I82 HydrophobicContact CE1-CB 4.42Å; Y62-I82 HydrophobicContact CE1-CD1 4.32Å; Y62-I82 HydrophobicContact CE2-CD1 4.26Å; Y62-I82 WeakPolarHBondContact OH-CD1 3.45Å |
| 63 | L | 90.8 | Very high | 88.6 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 135.6 | 174.2 | -68.4 | 170.9 | 0 | 0 | 0 | 111 | I76 F81 L86 E90 L91 Y94 | L63-I76 HydrophobicContact CD2-CD1 3.52Å; L63-F81 HydrophobicContact CD2-CE1 4.14Å; L63-F81 HydrophobicContact CD2-CE2 4.47Å; L63-F81 HydrophobicContact CD2-CZ 3.73Å; L63-L86 HydrophobicContact CD1-CD1 4.02Å; L63-E90 HydrophobicContact CD1-CB 4.17Å; L63-L91 HydrophobicContact CD1-CD2 3.95Å; L63-Y94 HydrophobicContact CB-CE2 4.44Å; L63-Y94 HydrophobicContact CD1-CE2 4.39Å |
| 64 | P | 90 | Very high | 88.7 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 5% | 0.045 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 139.9 | -174.7 | 27.6 | -35.3 | 0 | 0 | 0 | 112.5 | P43 M53 L60 L74 I76 Y94 | P43-P64 HydrophobicContact CG-CB 4.08Å; M53-P64 HydrophobicContact CE-CB 3.9Å; M53-P64 HydrophobicContact CE-CG 3.63Å; M53-P64 HydrophobicContact SD-CB 4.33Å; M53-P64 HydrophobicContact SD-CG 4.47Å; L60-P64 HydrophobicContact CD1-CG 4.36Å; L60-P64 HydrophobicContact CD2-CB 4.5Å; P64-L74 HydrophobicContact CG-CD1 4.4Å; P64-I76 HydrophobicContact CG-CD1 4.16Å; P64-Y94 WeakPolarHBondContact CD-OH 3.39Å; P64-Y94 WeakPolarHBondContact O-CE1 3.12Å; P64-Y94 PolarHBondContact O-OH 3.49Å |
| 65 | I | 86 | Confident | 88.7 | Confident | 107 Ų | 107 | 55.5 Ų | 55.5 | 55% | 0.549 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 130.1 | 174.3 | -49.4 | -171.6 | 0 | 0 | 0 | 109.2 | P67 I93 F99 | I65-P67 VanDerWaalsContact O-CD 3.32Å; I65-P67 WeakPolarHBondContact O-CD 3.32Å; I65-I93 HydrophobicContact CB-CD1 4.13Å; I65-I93 HydrophobicContact CG1-CD1 3.86Å; I65-I93 HydrophobicContact CG2-CD1 4.19Å; I65-F99 HydrophobicContact CG2-CE2 4.3Å; I65-F99 HydrophobicContact CG2-CZ 3.77Å |
| 66 | P | 85 | Confident | 88.8 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -68 | 118.7 | -178.3 | 26.2 | -33.6 | 0 | 0 | 0 | 111.2 | M68 L71 Y94 F99 I103 | P66-M68 PolarHBondContact O-N 3Å; P66-L71 HydrophobicContact CB-CD2 4.18Å; P66-Y94 HydrophobicContact CB-CD1 4.16Å; P66-Y94 HydrophobicContact CB-CE1 4.22Å; P66-Y94 HydrophobicContact CG-CD1 4.14Å; P66-Y94 HydrophobicContact CG-CE1 4.34Å; P66-F99 HydrophobicContact CG-CD2 4.08Å; P66-F99 HydrophobicContact CG-CE2 3.95Å; P66-F99 HydrophobicContact CG-CZ 4.35Å; P66-I103 HydrophobicContact CB-CD1 3.75Å; P66-I103 HydrophobicContact CG-CD1 3.42Å; P66-I103 VanDerWaalsContact CG-CD1 3.42Å |
| 67 | P | 80.9 | Confident | 88.9 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -85.6 | 10.8 | -176.9 | 34.6 | -34.5 | 0 | 0 | 0 | 112.8 | T40 C48 M53 I65 | T40-P67 WeakPolarHBondContact CB-O 3.23Å; T40-P67 PolarHBondContact OG1-O 3.32Å; C48-P67 HydrophobicContact CB-CG 4.34Å; C48-P67 VanDerWaalsContact SG-CG 3.57Å; M53-P67 WeakPolarHBondContact SD-CD 3.38Å; M53-P67 HydrophobicContact SD-CG 3.91Å; I65-P67 VanDerWaalsContact O-CD 3.32Å; I65-P67 WeakPolarHBondContact O-CD 3.32Å |
| 68 | M | 79.4 | Confident | 89 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | trans | -159.2 | 142.3 | -179.6 | 60.1 | -168.2 | 75.9 | 0 | 0 | 112 | C48 S49 S50 P66 Q70 L71 | C48-M68 HydrophobicContact CB-CE 4.05Å; S49-M68 VanDerWaalsContact O-CE 3.23Å; S49-M68 WeakPolarHBondContact O-CE 3.3Å; S49-M68 VanDerWaalsContact O-SD 3.39Å; S50-M68 VanDerWaalsContact O-SD 3.37Å; P66-M68 PolarHBondContact O-N 3Å; M68-Q70 PolarHBondContact O-N 3.18Å; M68-L71 HydrophobicContact CG-CB 3.92Å; M68-L71 HydrophobicContact CG-CD1 4.28Å; M68-L71 PolarHBondContact O-N 3.22Å; M68-L71 HydrophobicContact SD-CD1 4.25Å | ||
| 69 | L | 77.4 | Confident | 89.2 | Confident | 96 Ų | 96 | 47.4 Ų | 47.4 | 50% | 0.503 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.3 | 179.9 | -52 | 179.8 | 0 | 0 | 0 | 113.1 | F99 | L69-F99 HydrophobicContact CD2-CB 3.88Å; L69-F99 HydrophobicContact CD2-CD1 4.28Å; L69-F99 WeakPolarHBondContact CD2-O 3.29Å |
| 70 | Q | 79.8 | Confident | 89.4 | Confident | 121 Ų | 121 | 50 Ų | 50 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 29.5 | -176.4 | -58.8 | -170.6 | 5.9 | 0 | 0 | 113.2 | K51 M68 E72 | K51-Q70 VanDerWaalsContact CE-OE1 3.26Å; K51-Q70 HydrophobicContact CG-CB 4.48Å; M68-Q70 PolarHBondContact O-N 3.18Å; Q70-E72 PolarHBondContact O-N 3.15Å; Q70-E72 VanDerWaalsContact O-N 3.12Å |
| 71 | L | 87.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -65.7 | 112 | 177.8 | -173.2 | 68.1 | 0 | 0 | 0 | 110.2 | M53 P66 M68 Y73 I103 Q104 L105 | M53-L71 HydrophobicContact CB-CD1 3.74Å; M53-L71 HydrophobicContact CE-CD2 4.08Å; P66-L71 HydrophobicContact CB-CD2 4.18Å; M68-L71 HydrophobicContact CG-CB 3.92Å; M68-L71 HydrophobicContact CG-CD1 4.28Å; M68-L71 PolarHBondContact O-N 3.22Å; M68-L71 HydrophobicContact SD-CD1 4.25Å; L71-Y73 WeakPolarHBondContact CD1-O 3.12Å; L71-I103 HydrophobicContact CB-CG2 4.34Å; L71-Q104 CarbonylContact O-C 3.49Å; L71-L105 HydrophobicContact CD2-CD1 4.48Å; L71-L105 HydrophobicContact CG-CD1 4.3Å; L71-L105 PolarHBondContact O-N 3Å | ||
| 72 | E | 90.1 | Very high | 89.5 | Confident | 45 Ų | 45 | 48.4 Ų | 48.4 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | trans | -103.2 | -22.2 | 179.3 | -66.4 | -172.8 | -163.4 | 0 | 0 | 112.7 | K51 Q70 Q104 K106 S107 | K51-E72 HydrophobicContact CB-CB 4.41Å; K51-E72 HydrophobicContact CB-CG 4.44Å; K51-E72 HydrophobicContact CD-CG 4.17Å; K51-E72 WeakPolarHBondContact CD-OE1 3.38Å; K51-E72 IonicContact NZ-OE1 2.74Å; K51-E72 PolarHBondContact NZ-OE1 3.21Å; K51-E72 PolarHBondContact O-N 2.97Å; Q70-E72 PolarHBondContact O-N 3.15Å; Q70-E72 VanDerWaalsContact O-N 3.12Å; E72-Q104 WeakPolarHBondContact CA-O 3.4Å; E72-K106 HydrophobicContact CB-CD 4.36Å; E72-K106 HydrophobicContact CG-CD 4.34Å; E72-K106 PolarHBondContact O-N 2.92Å; E72-K106 IonicContact OE1-NZ 3.18Å; E72-K106 PolarHBondContact OE1-NZ 2.99Å; E72-K106 WeakPolarHBondContact OE2-CD 3.14Å; E72-K106 WeakPolarHBondContact OE2-CE 3.3Å; E72-K106 IonicContact OE2-NZ 3.29Å; E72-K106 PolarHBondContact OE2-NZ 3.26Å; E72-S107 PolarHBondContact O-N 2.87Å | ||
| 73 | Y | 93.2 | Very high | 89.5 | Confident | 62 Ų | 62 | 45.7 Ų | 45.7 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 126.2 | -175.5 | -179 | -83.8 | 0 | 0 | 0 | 110.8 | K51 R52 M53 L71 L75 S107 H109 | K51-Y73 PolarHBondContact O-N 3.26Å; R52-Y73 WeakPolarHBondContact CA-O 3.22Å; R52-Y73 HydrophobicContact CB-CD1 4.1Å; R52-Y73 HydrophobicContact CG-CD1 4.33Å; R52-Y73 HydrophobicContact CG-CG 4.35Å; M53-Y73 PolarHBondContact N-O 3.03Å; L71-Y73 WeakPolarHBondContact CD1-O 3.12Å; Y73-L75 HydrophobicContact CE1-CB 3.61Å; Y73-S107 WeakPolarHBondContact CA-O 3.36Å; Y73-H109 AromaticContact CE2-CD2 3.55Å; Y73-H109 AromaticContact CE2-NE2 3.22Å; Y73-H109 WeakPolarHBondContact CE2-NE2 3.31Å; Y73-H109 AromaticContact CZ-CD2 3.65Å; Y73-H109 AromaticContact CZ-NE2 3.7Å |
| 74 | L | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.6 | 172.9 | 176.2 | 52.6 | 0 | 0 | 0 | 109.4 | M53 P64 I76 Y94 L105 S107 L108 H109 | M53-L74 HydrophobicContact CB-CD1 4.11Å; M53-L74 HydrophobicContact CE-CD1 3.62Å; M53-L74 HydrophobicContact CG-CD1 4.16Å; M53-L74 WeakPolarHBondContact O-CA 3.45Å; P64-L74 HydrophobicContact CG-CD1 4.4Å; L74-I76 HydrophobicContact CD1-CD1 4.32Å; L74-I76 HydrophobicContact CD1-CG1 3.86Å; L74-I76 HydrophobicContact CD2-CD1 4.21Å; L74-I76 HydrophobicContact CG-CD1 4.29Å; L74-I76 HydrophobicContact CG-CG1 4.07Å; L74-Y94 HydrophobicContact CD2-CE1 3.89Å; L74-Y94 HydrophobicContact CD2-CE2 4.05Å; L74-Y94 WeakPolarHBondContact CD2-OH 3.41Å; L74-L105 HydrophobicContact CB-CD1 3.79Å; L74-L105 HydrophobicContact CB-CD2 4.48Å; L74-S107 PolarHBondContact N-O 3.28Å; L74-L108 HydrophobicContact CB-CD1 4.17Å; L74-L108 HydrophobicContact CD2-CD1 3.88Å; L74-L108 HydrophobicContact CG-CD1 4.02Å; L74-H109 PolarHBondContact O-N 3.07Å |
| 75 | L | 95.6 | Very high | 89.7 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.9 | 166.9 | 173.1 | 59.6 | 0 | 0 | 0 | 109.2 | M53 N54 C55 Y73 Q77 H109 R111 | M53-L75 PolarHBondContact O-N 3.13Å; N54-L75 CarbonylContact C-O 3.56Å; N54-L75 WeakPolarHBondContact CA-O 3.49Å; N54-L75 VanDerWaalsContact OD1-CD2 3.26Å; N54-L75 WeakPolarHBondContact OD1-CD2 2.91Å; N54-L75 VanDerWaalsContact OD1-CG 3.27Å; N54-L75 WeakPolarHBondContact OD1-CG 3.06Å; C55-L75 PolarHBondContact N-O 2.89Å; Y73-L75 HydrophobicContact CE1-CB 3.61Å; L75-Q77 HydrophobicContact CD1-CB 4.3Å; L75-H109 HydrophobicContact CB-CB 4.42Å; L75-H109 HydrophobicContact CD1-CB 3.52Å; L75-R111 HydrophobicContact CD1-CG 4.32Å |
| 76 | I | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.2 | 169.6 | -56.5 | 177.5 | 0 | 0 | 0 | 106.2 | C55 L63 P64 L74 Q79 F81 H109 I110 R111 | C55-I76 HydrophobicContact CB-CG1 4.41Å; L63-I76 HydrophobicContact CD2-CD1 3.52Å; P64-I76 HydrophobicContact CG-CD1 4.16Å; L74-I76 HydrophobicContact CD1-CD1 4.32Å; L74-I76 HydrophobicContact CD1-CG1 3.86Å; L74-I76 HydrophobicContact CD2-CD1 4.21Å; L74-I76 HydrophobicContact CG-CD1 4.29Å; L74-I76 HydrophobicContact CG-CG1 4.07Å; I76-Q79 HydrophobicContact CG2-CB 4.17Å; I76-Q79 HydrophobicContact CG2-CG 3.51Å; I76-F81 HydrophobicContact CD1-CZ 4.35Å; I76-F81 HydrophobicContact CG2-CZ 3.94Å; I76-H109 PolarHBondContact N-O 2.92Å; I76-I110 WeakPolarHBondContact O-CA 3.25Å; I76-R111 PolarHBondContact O-N 3.3Å |
| 77 | Q | 95.6 | Very high | 90.3 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143.4 | -177.8 | -170.8 | 166.5 | -46.2 | 0 | 0 | 111.6 | C55 E56 L75 Q79 R111 Y112 | C55-Q77 PolarHBondContact O-N 3.37Å; C55-Q77 VanDerWaalsContact O-N 3.08Å; E56-Q77 HydrophobicContact CG-CB 4.22Å; L75-Q77 HydrophobicContact CD1-CB 4.3Å; Q77-Q79 PolarHBondContact O-N 3.23Å; Q77-Q79 PolarHBondContact O-NE2 3.2Å; Q77-R111 VanDerWaalsContact CA-O 3.31Å; Q77-R111 WeakPolarHBondContact CA-O 3.18Å; Q77-R111 HydrophobicContact CG-CB 4.17Å; Q77-R111 VanDerWaalsContact OE1-NH1 3.12Å; Q77-Y112 HydrophobicContact CG-CD2 4.33Å |
| 78 | N | 94.9 | Very high | 90.6 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 56.6 | 41.2 | 175.5 | -60.9 | -10.9 | 0 | 0 | 0 | 114.1 | R111 Y112 | N78-R111 PolarHBondContact N-O 2.82Å; N78-R111 VanDerWaalsContact N-O 3.16Å; N78-Y112 WeakPolarHBondContact CA-O 3.49Å; N78-Y112 VanDerWaalsContact OD1-CB 3.29Å; N78-Y112 WeakPolarHBondContact OD1-CB 3.42Å |
| 79 | Q | 94 | Very high | 90.9 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | trans | -107.3 | 153.3 | -179.9 | -56 | -58.1 | -36.7 | 0 | 0 | 112.9 | C55 L57 L60 I76 Q77 F81 C113 | C55-Q79 PolarHBondContact O-NE2 3.43Å; L57-Q79 PolarHBondContact O-NE2 3Å; L57-Q79 PolarHBondContact O-OE1 3.26Å; L60-Q79 HydrophobicContact CB-CB 4.39Å; L60-Q79 HydrophobicContact CB-CG 4.07Å; L60-Q79 HydrophobicContact CD1-CG 4.19Å; I76-Q79 HydrophobicContact CG2-CB 4.17Å; I76-Q79 HydrophobicContact CG2-CG 3.51Å; Q77-Q79 PolarHBondContact O-N 3.23Å; Q77-Q79 PolarHBondContact O-NE2 3.2Å; Q79-F81 HydrophobicContact CB-CZ 4.38Å; Q79-C113 VanDerWaalsContact O-CA 3.3Å; Q79-C113 WeakPolarHBondContact O-CA 3.45Å; Q79-C113 WeakPolarHBondContact O-CB 3.45Å | ||
| 80 | T | 94.1 | Very high | 91.4 | Very high | 101 Ų | 101 | 49.6 Ų | 49.6 | 62% | 0.62 | 26% | 0.257 | S | S | * | . | trans | -118.3 | 93.1 | 176.6 | 57.9 | 0 | 0 | 0 | 0 | 109.8 | N114 | T80-N114 WeakPolarHBondContact CA-OD1 3.41Š| ||
| 81 | F | 93.2 | Very high | 91.7 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 6% | 0.057 | 23% | 0.23 | C | C | . | . | trans | -72.4 | 151 | 176.5 | -61.3 | -60.6 | 0 | 0 | 0 | 111.6 | L60 K61 L63 I76 Q79 I110 C113 N114 I115 | L60-F81 HydrophobicContact CB-CE1 4.48Å; K61-F81 WeakPolarHBondContact O-CA 3.41Å; L63-F81 HydrophobicContact CD2-CE1 4.14Å; L63-F81 HydrophobicContact CD2-CE2 4.47Å; L63-F81 HydrophobicContact CD2-CZ 3.73Å; I76-F81 HydrophobicContact CD1-CZ 4.35Å; I76-F81 HydrophobicContact CG2-CZ 3.94Å; Q79-F81 HydrophobicContact CB-CZ 4.38Å; F81-I110 HydrophobicContact CE2-CG2 4.25Å; F81-C113 HydrophobicContact CD2-CB 4.27Å; F81-C113 HydrophobicContact CE2-CB 4.03Å; F81-N114 PolarHBondContact N-OD1 3.21Å; F81-N114 PolarHBondContact O-ND2 3.21Å; F81-I115 HydrophobicContact CD2-CD1 3.67Å; F81-I115 HydrophobicContact CD2-CG1 4.47Å; F81-I115 HydrophobicContact CE2-CD1 4.13Å | ||
| 82 | I | 91.9 | Very high | 91.5 | Very high | 96 Ų | 96 | 46.7 Ų | 46.7 | 49% | 0.492 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -71 | -37.9 | 174.8 | -69.5 | 173 | 0 | 0 | 0 | 111 | K61 Y62 | K61-I82 HydrophobicContact CB-CD1 3.92Å; K61-I82 HydrophobicContact CB-CG1 4.16Å; K61-I82 HydrophobicContact CD-CD1 4.07Å; K61-I82 HydrophobicContact CG-CD1 4.21Å; K61-I82 HydrophobicContact CG-CG1 4.44Å; K61-I82 PolarHBondContact O-N 3.06Å; Y62-I82 HydrophobicContact CE1-CB 4.42Å; Y62-I82 HydrophobicContact CE1-CD1 4.32Å; Y62-I82 HydrophobicContact CE2-CD1 4.26Å; Y62-I82 WeakPolarHBondContact OH-CD1 3.45Å |
| 83 | N | 91.2 | Very high | 91 | Very high | 88 Ų | 88 | 46.7 Ų | 46.7 | 47% | 0.471 | 25% | 0.25 | S | S | . | . | trans | -98.6 | 120.5 | 175.9 | -65.1 | 2.7 | 0 | 0 | 0 | 109.1 | ||||
| 84 | T | 91.8 | Very high | 90.5 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 24% | 0.239 | 24% | 0.24 | C | C | . | . | trans | -85.2 | -15.7 | 176.3 | 60.7 | 0 | 0 | 0 | 0 | 113 | N114 I115 E116 | T84-N114 VanDerWaalsContact CB-O 3.28Å; T84-N114 WeakPolarHBondContact CB-O 3.37Å; T84-N114 VanDerWaalsContact CG2-O 3.26Å; T84-N114 WeakPolarHBondContact CG2-O 3.5Å; T84-I115 CarbonylContact O-C 3.53Å; T84-I115 WeakPolarHBondContact O-CA 3.33Å; T84-E116 WeakPolarHBondContact CB-OE2 3.48Å; T84-E116 HydrophobicContact CG2-CG 4.23Å; T84-E116 WeakPolarHBondContact CG2-OE2 3.41Å; T84-E116 PolarHBondContact O-N 3.36Å; T84-E116 PolarHBondContact OG1-OE2 3.38Å | ||
| 85 | H | 92.4 | Very high | 89.4 | Confident | 90 Ų | 90 | 50.9 Ų | 50.9 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122.2 | 172.7 | 176 | -70 | 0 | 0 | 0 | 110.9 | S117 | H85-S117 WeakPolarHBondContact CA-O 3.28Å; H85-S117 WeakPolarHBondContact CA-OG 3.31Å; H85-S117 WeakPolarHBondContact CB-OG 3.3Å; H85-S117 PolarHBondContact CD2-OG 2.96Å |
| 86 | L | 92.6 | Very high | 87.6 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.6 | 172.7 | -171.2 | 68.9 | 0 | 0 | 0 | 110.2 | L63 E90 L91 I110 I115 S117 L118 G119 T122 F123 | L63-L86 HydrophobicContact CD1-CD1 4.02Å; L86-E90 HydrophobicContact CD1-CB 3.94Å; L86-L91 HydrophobicContact CD1-CD2 4.41Å; L86-L91 HydrophobicContact CD1-CG 4.2Å; L86-L91 HydrophobicContact CD2-CD1 4.32Å; L86-L91 HydrophobicContact CG-CD1 4.43Å; L86-I110 HydrophobicContact CD2-CD1 4.05Å; L86-I115 HydrophobicContact CB-CG2 4.11Å; L86-S117 PolarHBondContact N-O 3.02Å; L86-L118 HydrophobicContact CB-CD2 3.96Å; L86-L118 HydrophobicContact CD2-CD2 4.09Å; L86-G119 PolarHBondContact O-N 3.36Å; L86-T122 HydrophobicContact CD2-CG2 4.12Å; L86-T122 HydrophobicContact CG-CG2 3.89Å; L86-T122 PolarHBondContact O-OG1 2.81Å; L86-T122 VanDerWaalsContact O-OG1 3.11Å; L86-F123 HydrophobicContact CD2-CE1 4.27Å; L86-F123 HydrophobicContact CD2-CZ 4.24Å |
| 87 | G | 91.1 | Very high | 85.7 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | trans | -131.6 | -173.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N89 E90 T122 | G87-N89 VanDerWaalsContact C-N 3.29Å; G87-N89 PolarHBondContact O-N 2.88Å; G87-E90 WeakPolarHBondContact CA-OE2 3.47Å; G87-E90 PolarHBondContact N-OE2 3.36Å; G87-T122 WeakPolarHBondContact CA-OG1 3.32Å | ||
| 88 | S | 87.8 | Confident | 83.8 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -27.6 | 179.9 | -176.4 | 0 | 0 | 0 | 0 | 113.1 | S92 T125 | S88-S92 PolarHBondContact O-N 3.24Å; S88-S92 VanDerWaalsContact O-N 3.17Å; S88-T125 PolarHBondContact OG-OG1 2.82Å |
| 89 | N | 86.2 | Confident | 81.8 | Confident | 130 Ų | 130 | 63 Ų | 63 | 70% | 0.695 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -41.3 | -179 | -67.9 | -14.9 | 0 | 0 | 0 | 111.2 | G87 L91 S92 | G87-N89 VanDerWaalsContact C-N 3.29Å; G87-N89 PolarHBondContact O-N 2.88Å; N89-L91 VanDerWaalsContact C-N 3.31Å; N89-L91 PolarHBondContact O-N 3.35Å; N89-S92 VanDerWaalsContact O-CB 3.24Å; N89-S92 WeakPolarHBondContact O-CB 3.45Å; N89-S92 PolarHBondContact O-N 3.29Å; N89-S92 VanDerWaalsContact O-N 3.17Å; N89-S92 PolarHBondContact O-OG 2.97Å |
| 90 | E | 86.2 | Confident | 79.6 | Confident | 64 Ų | 64 | 65.5 Ų | 65.5 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -64.8 | -37.1 | 179.7 | -65.9 | 68.2 | -152 | 0 | 0 | 111.2 | L63 L86 G87 | L63-E90 HydrophobicContact CD1-CB 4.17Å; L86-E90 HydrophobicContact CD1-CB 3.94Å; G87-E90 WeakPolarHBondContact CA-OE2 3.47Å; G87-E90 PolarHBondContact N-OE2 3.36Å |
| 91 | L | 87.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -84.7 | -5.8 | 176.8 | -66.7 | 173.1 | 0 | 0 | 0 | 113.9 | L63 L86 N89 I93 Y94 L108 T122 F123 I126 | L63-L91 HydrophobicContact CD1-CD2 3.95Å; L86-L91 HydrophobicContact CD1-CD2 4.41Å; L86-L91 HydrophobicContact CD1-CG 4.2Å; L86-L91 HydrophobicContact CD2-CD1 4.32Å; L86-L91 HydrophobicContact CG-CD1 4.43Å; N89-L91 VanDerWaalsContact C-N 3.31Å; N89-L91 PolarHBondContact O-N 3.35Å; L91-I93 PolarHBondContact O-N 3.18Å; L91-Y94 HydrophobicContact CD2-CD2 4.06Å; L91-Y94 HydrophobicContact CD2-CE2 4.18Å; L91-Y94 PolarHBondContact O-N 3.47Å; L91-Y94 VanDerWaalsContact O-N 3.09Å; L91-L108 HydrophobicContact CD2-CD2 4.24Å; L91-T122 HydrophobicContact CD1-CG2 3.73Å; L91-T122 WeakPolarHBondContact CD1-O 3.33Å; L91-F123 HydrophobicContact CD1-CD1 3.59Å; L91-F123 HydrophobicContact CD1-CE1 3.71Å; L91-I126 HydrophobicContact CD1-CD1 4.43Å |
| 92 | S | 82.4 | Confident | 76.2 | Confident | 60 Ų | 60 | 69.6 Ų | 69.6 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -61.1 | -25.7 | -179.4 | 73 | 0 | 0 | 0 | 0 | 114.1 | S88 N89 Y94 R95 S96 | S88-S92 PolarHBondContact O-N 3.24Å; S88-S92 VanDerWaalsContact O-N 3.17Å; N89-S92 VanDerWaalsContact O-CB 3.24Å; N89-S92 WeakPolarHBondContact O-CB 3.45Å; N89-S92 PolarHBondContact O-N 3.29Å; N89-S92 VanDerWaalsContact O-N 3.17Å; N89-S92 PolarHBondContact O-OG 2.97Å; S92-Y94 PolarHBondContact O-N 3.36Å; S92-R95 CarbonylContact O-C 3.52Å; S92-R95 WeakPolarHBondContact O-CA 3.43Å; S92-R95 PolarHBondContact O-N 3.31Å; S92-S96 PolarHBondContact O-N 3.21Å; S92-S96 VanDerWaalsContact O-N 3.11Å |
| 93 | I | 80.5 | Confident | 75.2 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 23% | 0.226 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -59.3 | -30.6 | 175.5 | -164.2 | 166.6 | 0 | 0 | 0 | 112.7 | I65 L91 R95 | I65-I93 HydrophobicContact CB-CD1 4.13Å; I65-I93 HydrophobicContact CG1-CD1 3.86Å; I65-I93 HydrophobicContact CG2-CD1 4.19Å; L91-I93 PolarHBondContact O-N 3.18Å; I93-R95 PolarHBondContact O-N 2.67Å |
| 94 | Y | 81.4 | Confident | 74.4 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -84.6 | 7.9 | 175.7 | -53.8 | -61.7 | 0 | 0 | 0 | 113.4 | L63 P64 P66 L74 L91 S92 I103 | L63-Y94 HydrophobicContact CB-CE2 4.44Å; L63-Y94 HydrophobicContact CD1-CE2 4.39Å; P64-Y94 WeakPolarHBondContact CD-OH 3.39Å; P64-Y94 WeakPolarHBondContact O-CE1 3.12Å; P64-Y94 PolarHBondContact O-OH 3.49Å; P66-Y94 HydrophobicContact CB-CD1 4.16Å; P66-Y94 HydrophobicContact CB-CE1 4.22Å; P66-Y94 HydrophobicContact CG-CD1 4.14Å; P66-Y94 HydrophobicContact CG-CE1 4.34Å; L74-Y94 HydrophobicContact CD2-CE1 3.89Å; L74-Y94 HydrophobicContact CD2-CE2 4.05Å; L74-Y94 WeakPolarHBondContact CD2-OH 3.41Å; L91-Y94 HydrophobicContact CD2-CD2 4.06Å; L91-Y94 HydrophobicContact CD2-CE2 4.18Å; L91-Y94 PolarHBondContact O-N 3.47Å; L91-Y94 VanDerWaalsContact O-N 3.09Å; S92-Y94 PolarHBondContact O-N 3.36Å; Y94-I103 WeakPolarHBondContact O-CB 3.21Å |
| 95 | R | 71.5 | Confident | 74.2 | Confident | 146 Ų | 146 | 64 Ų | 64 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -127.2 | -1.4 | 173.5 | -159.9 | -161.4 | 175.9 | 108.6 | -16.1 | 112.8 | S92 I93 I97 Q124 T125 | S92-R95 CarbonylContact O-C 3.52Å; S92-R95 WeakPolarHBondContact O-CA 3.43Å; S92-R95 PolarHBondContact O-N 3.31Å; I93-R95 PolarHBondContact O-N 2.67Å; R95-I97 PolarHBondContact O-N 3.49Å; R95-Q124 PolarHBondContact NH1-O 2.99Å; R95-T125 HydrophobicContact CB-CG2 3.65Å; R95-T125 WeakPolarHBondContact CD-O 3.25Å; R95-T125 HydrophobicContact CG-CG2 4.27Å; R95-T125 VanDerWaalsContact CG-O 3.32Å; R95-T125 WeakPolarHBondContact CG-O 3.35Å; R95-T125 PolarHBondContact NH1-O 2.88Å |
| 96 | S | 58.3 | Low | 74.1 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | trans | -59.6 | 135.9 | -170 | -173.9 | 0 | 0 | 0 | 0 | 112.9 | S92 E98 F99 G101 | S92-S96 PolarHBondContact O-N 3.21Å; S92-S96 VanDerWaalsContact O-N 3.11Å; S96-E98 PolarHBondContact O-N 3.09Å; S96-E98 WeakPolarHBondContact OG-CB 3.39Å; S96-E98 WeakPolarHBondContact OG-CG 3.41Å; S96-E98 PolarHBondContact OG-N 2.72Å; S96-E98 PolarHBondContact OG-OE2 2.94Å; S96-F99 PolarHBondContact O-N 2.95Å; S96-F99 VanDerWaalsContact O-N 3.16Å; S96-G101 PolarHBondContact O-N 3.46Å | ||
| 97 | I | 56.1 | Low | 74.2 | Confident | 153 Ų | 153 | 64.1 Ų | 64.1 | 79% | 0.785 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -62.7 | -25.6 | 175.9 | -64.1 | 162.7 | 0 | 0 | 0 | 110.6 | R95 F99 G100 | R95-I97 PolarHBondContact O-N 3.49Å; I97-F99 PolarHBondContact O-N 2.72Å; I97-G100 WeakPolarHBondContact O-CA 3.37Å; I97-G100 PolarHBondContact O-N 3.46Å |
| 98 | E | 54.2 | Low | 74.4 | Confident | 172 Ų | 172 | 64 Ų | 64 | 80% | 0.804 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -61.3 | -31.2 | 176.1 | -62.4 | 159.6 | 148.6 | 0 | 0 | 112 | S96 G100 | S96-E98 PolarHBondContact O-N 3.09Å; S96-E98 WeakPolarHBondContact OG-CB 3.39Å; S96-E98 WeakPolarHBondContact OG-CG 3.41Å; S96-E98 PolarHBondContact OG-N 2.72Å; S96-E98 PolarHBondContact OG-OE2 2.94Å; E98-G100 PolarHBondContact O-N 3.26Å |
| 99 | F | 53.4 | Low | 74.8 | Confident | 49 Ų | 49 | 63.3 Ų | 63.3 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -91.7 | 36.2 | 170 | -61.1 | -68.7 | 0 | 0 | 0 | 112 | I65 P66 L69 S96 I97 G101 I103 | I65-F99 HydrophobicContact CG2-CE2 4.3Å; I65-F99 HydrophobicContact CG2-CZ 3.77Å; P66-F99 HydrophobicContact CG-CD2 4.08Å; P66-F99 HydrophobicContact CG-CE2 3.95Å; P66-F99 HydrophobicContact CG-CZ 4.35Å; L69-F99 HydrophobicContact CD2-CB 3.88Å; L69-F99 HydrophobicContact CD2-CD1 4.28Å; L69-F99 WeakPolarHBondContact CD2-O 3.29Å; S96-F99 PolarHBondContact O-N 2.95Å; S96-F99 VanDerWaalsContact O-N 3.16Å; I97-F99 PolarHBondContact O-N 2.72Å; F99-G101 PolarHBondContact O-N 2.9Å; F99-I103 HydrophobicContact CB-CD1 4.11Å; F99-I103 HydrophobicContact CB-CG1 4.49Å; F99-I103 HydrophobicContact CD2-CD1 4.31Å; F99-I103 HydrophobicContact CG-CD1 4.37Å |
| 100 | G | 48.9 | Very low | 75.2 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 56% | 0.557 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 15.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I97 E98 K102 | I97-G100 WeakPolarHBondContact O-CA 3.37Å; I97-G100 PolarHBondContact O-N 3.46Å; E98-G100 PolarHBondContact O-N 3.26Å; G100-K102 VanDerWaalsContact C-N 3.32Å; G100-K102 WeakPolarHBondContact O-CG 3.46Å; G100-K102 PolarHBondContact O-N 3.1Å |
| 101 | G | 56.1 | Low | 75.7 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 30.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | S96 F99 | S96-G101 PolarHBondContact O-N 3.46Å; F99-G101 PolarHBondContact O-N 2.9Å |
| 102 | K | 59.2 | Low | 76.1 | Confident | 151 Ų | 151 | 61.4 Ų | 61.4 | 66% | 0.657 | 31% | 0.314 | S | S | * | . | trans | -130.9 | 10.6 | -164.3 | -85.6 | 179.4 | -177.2 | 178.5 | 0 | 117.5 | G100 Q104 | G100-K102 VanDerWaalsContact C-N 3.32Å; G100-K102 WeakPolarHBondContact O-CG 3.46Å; G100-K102 PolarHBondContact O-N 3.1Å; K102-Q104 VanDerWaalsContact O-CG 3.31Å; K102-Q104 WeakPolarHBondContact O-CG 3.34Å; K102-Q104 PolarHBondContact O-N 3.42Å | ||
| 103 | I | 69.8 | Low | 76.7 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.087 | 30% | 0.297 | C | S | . | . | trans | -66.4 | 117.8 | 175.4 | -64.7 | 166.9 | 0 | 0 | 0 | 109.3 | P66 L71 Y94 F99 | P66-I103 HydrophobicContact CB-CD1 3.75Å; P66-I103 HydrophobicContact CG-CD1 3.42Å; P66-I103 VanDerWaalsContact CG-CD1 3.42Å; L71-I103 HydrophobicContact CB-CG2 4.34Å; Y94-I103 WeakPolarHBondContact O-CB 3.21Å; F99-I103 HydrophobicContact CB-CD1 4.11Å; F99-I103 HydrophobicContact CB-CG1 4.49Å; F99-I103 HydrophobicContact CD2-CD1 4.31Å; F99-I103 HydrophobicContact CG-CD1 4.37Å | ||
| 104 | Q | 75.4 | Confident | 77.4 | Confident | 84 Ų | 84 | 58.9 Ų | 58.9 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | trans | -106.6 | 64.7 | -175.6 | -55.2 | -160.4 | -15.9 | 0 | 0 | 112 | L71 E72 K102 K106 Q129 | L71-Q104 CarbonylContact O-C 3.49Å; E72-Q104 WeakPolarHBondContact CA-O 3.4Å; K102-Q104 VanDerWaalsContact O-CG 3.31Å; K102-Q104 WeakPolarHBondContact O-CG 3.34Å; K102-Q104 PolarHBondContact O-N 3.42Å; Q104-K106 PolarHBondContact O-N 3.09Å; Q104-K106 VanDerWaalsContact O-N 3.13Å; Q104-Q129 VanDerWaalsContact CB-OE1 3.31Å; Q104-Q129 VanDerWaalsContact CG-OE1 3.31Å | ||
| 105 | L | 87.7 | Confident | 78 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | trans | -68 | 113.1 | -176.8 | -164.3 | 68.2 | 0 | 0 | 0 | 110.6 | L71 L74 L108 I126 Q129 L130 | L71-L105 HydrophobicContact CD2-CD1 4.48Å; L71-L105 HydrophobicContact CG-CD1 4.3Å; L71-L105 PolarHBondContact O-N 3Å; L74-L105 HydrophobicContact CB-CD1 3.79Å; L74-L105 HydrophobicContact CB-CD2 4.48Å; L105-L108 HydrophobicContact CD2-CB 3.91Å; L105-L108 HydrophobicContact CD2-CD1 4.18Å; L105-L108 HydrophobicContact CD2-CD2 4.41Å; L105-L108 HydrophobicContact CD2-CG 4.39Å; L105-I126 HydrophobicContact CD2-CD1 4.32Å; L105-Q129 CarbonylContact O-C 3.56Å; L105-L130 HydrophobicContact CD2-CD1 4.34Å; L105-L130 HydrophobicContact CG-CD1 4.16Å; L105-L130 WeakPolarHBondContact O-CA 3.25Å; L105-L130 PolarHBondContact O-N 3.34Å | ||
| 106 | K | 90.8 | Very high | 79 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | trans | -96.5 | -29.7 | 179.1 | -64.1 | 175.4 | -170 | 166.9 | 0 | 112.2 | E72 Q104 R131 L132 | E72-K106 HydrophobicContact CB-CD 4.36Å; E72-K106 HydrophobicContact CG-CD 4.34Å; E72-K106 PolarHBondContact O-N 2.92Å; E72-K106 IonicContact OE1-NZ 3.18Å; E72-K106 PolarHBondContact OE1-NZ 2.99Å; E72-K106 WeakPolarHBondContact OE2-CD 3.14Å; E72-K106 WeakPolarHBondContact OE2-CE 3.3Å; E72-K106 IonicContact OE2-NZ 3.29Å; E72-K106 PolarHBondContact OE2-NZ 3.26Å; Q104-K106 PolarHBondContact O-N 3.09Å; Q104-K106 VanDerWaalsContact O-N 3.13Å; K106-R131 PolarHBondContact O-N 3.48Å; K106-L132 PolarHBondContact O-N 3.38Å | ||
| 107 | S | 93.9 | Very high | 80.7 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 120.5 | -178.4 | -143.6 | 0 | 0 | 0 | 0 | 109.9 | E72 Y73 L74 H109 L132 | E72-S107 PolarHBondContact O-N 2.87Å; Y73-S107 WeakPolarHBondContact CA-O 3.36Å; L74-S107 PolarHBondContact N-O 3.28Å; S107-H109 PolarHBondContact OG-NE2 2.87Å; S107-L132 WeakPolarHBondContact CA-O 3.47Å |
| 108 | L | 94.9 | Very high | 82.5 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 118.4 | 174.2 | 176 | 56.7 | 0 | 0 | 0 | 108.8 | L74 L91 L105 I110 F123 I126 L130 L132 L133 D134 | L74-L108 HydrophobicContact CB-CD1 4.17Å; L74-L108 HydrophobicContact CD2-CD1 3.88Å; L74-L108 HydrophobicContact CG-CD1 4.02Å; L91-L108 HydrophobicContact CD2-CD2 4.24Å; L105-L108 HydrophobicContact CD2-CB 3.91Å; L105-L108 HydrophobicContact CD2-CD1 4.18Å; L105-L108 HydrophobicContact CD2-CD2 4.41Å; L105-L108 HydrophobicContact CD2-CG 4.39Å; L108-I110 HydrophobicContact CD1-CD1 4.22Å; L108-I110 HydrophobicContact CD1-CG1 3.94Å; L108-I110 HydrophobicContact CD2-CD1 4.31Å; L108-I110 HydrophobicContact CG-CD1 4.35Å; L108-I110 HydrophobicContact CG-CG1 4.25Å; L108-F123 HydrophobicContact CD2-CE1 4.36Å; L108-I126 HydrophobicContact CD2-CD1 3.81Å; L108-L130 HydrophobicContact CB-CD1 3.74Å; L108-L130 HydrophobicContact CB-CD2 4.4Å; L108-L132 PolarHBondContact N-O 3.39Å; L108-L133 HydrophobicContact CB-CD1 4.19Å; L108-L133 HydrophobicContact CD2-CD1 4Å; L108-L133 HydrophobicContact CG-CD1 4.06Å; L108-L133 CarbonylContact O-C 3.3Å; L108-L133 WeakPolarHBondContact O-CA 3.42Å; L108-D134 PolarHBondContact O-N 3.26Å |
| 109 | H | 96.4 | Very high | 84.4 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.9 | 174.1 | -54.2 | -106 | 0 | 0 | 0 | 108.8 | Y73 L74 L75 I76 S107 R111 L132 D134 | Y73-H109 AromaticContact CE2-CD2 3.55Å; Y73-H109 AromaticContact CE2-NE2 3.22Å; Y73-H109 WeakPolarHBondContact CE2-NE2 3.31Å; Y73-H109 AromaticContact CZ-CD2 3.65Å; Y73-H109 AromaticContact CZ-NE2 3.7Å; L74-H109 PolarHBondContact O-N 3.07Å; L75-H109 HydrophobicContact CB-CB 4.42Å; L75-H109 HydrophobicContact CD1-CB 3.52Å; I76-H109 PolarHBondContact N-O 2.92Å; S107-H109 PolarHBondContact OG-NE2 2.87Å; H109-R111 HydrophobicContact CB-CG 4.11Å; H109-L132 WeakPolarHBondContact CE1-CD2 3.38Å; H109-D134 WeakPolarHBondContact CA-O 3.23Å; H109-D134 HydrophobicContact CB-CB 4.12Å; H109-D134 IonicContact CE1-OD2 2.7Å; H109-D134 IonicContact CG-OD2 2.98Å; H109-D134 VanDerWaalsContact ND1-CB 3.3Å; H109-D134 WeakPolarHBondContact ND1-CB 3.3Å; H109-D134 IonicContact ND1-OD2 2.76Å; H109-D134 PolarHBondContact ND1-OD2 2.8Å |
| 110 | I | 95.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 95.7 | 171.2 | -58.1 | 174.5 | 0 | 0 | 0 | 105.1 | I76 F81 L86 L108 C113 I115 D134 L135 N138 | I76-I110 WeakPolarHBondContact O-CA 3.25Å; F81-I110 HydrophobicContact CE2-CG2 4.25Å; L86-I110 HydrophobicContact CD2-CD1 4.05Å; L108-I110 HydrophobicContact CD1-CD1 4.22Å; L108-I110 HydrophobicContact CD1-CG1 3.94Å; L108-I110 HydrophobicContact CD2-CD1 4.31Å; L108-I110 HydrophobicContact CG-CD1 4.35Å; L108-I110 HydrophobicContact CG-CG1 4.25Å; I110-C113 HydrophobicContact CG2-CB 4.08Å; I110-I115 HydrophobicContact CG2-CG1 4.15Å; I110-D134 PolarHBondContact N-O 2.96Å; I110-L135 HydrophobicContact CB-CD2 4.36Å; I110-L135 WeakPolarHBondContact O-CA 3.01Å; I110-N138 PolarHBondContact O-ND2 2.83Å |
| 111 | R | 96.5 | Very high | 88.3 | Confident | 68 Ų | 68 | 44 Ų | 44 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 139 | -167.1 | -54.8 | 177.5 | 80.5 | -143.7 | 3.5 | 111 | L75 I76 Q77 N78 H109 C113 D134 T136 | L75-R111 HydrophobicContact CD1-CG 4.32Å; I76-R111 PolarHBondContact O-N 3.3Å; Q77-R111 VanDerWaalsContact CA-O 3.31Å; Q77-R111 WeakPolarHBondContact CA-O 3.18Å; Q77-R111 HydrophobicContact CG-CB 4.17Å; Q77-R111 VanDerWaalsContact OE1-NH1 3.12Å; N78-R111 PolarHBondContact N-O 2.82Å; N78-R111 VanDerWaalsContact N-O 3.16Å; H109-R111 HydrophobicContact CB-CG 4.11Å; R111-C113 PolarHBondContact O-N 3.43Å; R111-C113 VanDerWaalsContact O-N 3.11Å; R111-C113 PolarHBondContact O-SG 3.32Å; R111-D134 WeakPolarHBondContact CD-OD2 3.3Å; R111-D134 IonicContact NE-OD1 2.97Å; R111-D134 IonicContact NE-OD2 3.06Å; R111-D134 PolarHBondContact NE-OD2 3.37Å; R111-D134 VanDerWaalsContact NE-OD2 3.14Å; R111-T136 CarbonylContact C-O 3.52Å; R111-T136 VanDerWaalsContact CA-O 3.3Å; R111-T136 WeakPolarHBondContact CA-O 2.98Å |
| 112 | Y | 95.1 | Very high | 90 | Very high | 87 Ų | 87 | 41.7 Ų | 41.7 | 34% | 0.341 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 49 | 40.2 | 177.2 | -56.5 | -76.4 | 0 | 0 | 0 | 113.2 | Q77 N78 T136 E160 | Q77-Y112 HydrophobicContact CG-CD2 4.33Å; N78-Y112 WeakPolarHBondContact CA-O 3.49Å; N78-Y112 VanDerWaalsContact OD1-CB 3.29Å; N78-Y112 WeakPolarHBondContact OD1-CB 3.42Å; Y112-T136 HydrophobicContact CE2-CG2 4.25Å; Y112-T136 PolarHBondContact N-O 3.48Å; Y112-E160 PolarHBondContact OH-OE1 3.1Å |
| 113 | C | 94.7 | Very high | 91.5 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 5% | 0.054 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -102.6 | 179.7 | 173 | -60 | 0 | 0 | 0 | 0 | 109.4 | Q79 F81 I110 R111 I115 N138 P139 | Q79-C113 VanDerWaalsContact O-CA 3.3Å; Q79-C113 WeakPolarHBondContact O-CA 3.45Å; Q79-C113 WeakPolarHBondContact O-CB 3.45Å; F81-C113 HydrophobicContact CD2-CB 4.27Å; F81-C113 HydrophobicContact CE2-CB 4.03Å; I110-C113 HydrophobicContact CG2-CB 4.08Å; R111-C113 PolarHBondContact O-N 3.43Å; R111-C113 VanDerWaalsContact O-N 3.11Å; R111-C113 PolarHBondContact O-SG 3.32Å; C113-I115 PolarHBondContact O-N 2.73Å; C113-N138 VanDerWaalsContact C-OD1 3.29Å; C113-N138 WeakPolarHBondContact CA-OD1 3.31Å; C113-N138 WeakPolarHBondContact CB-OD1 3.31Å; C113-N138 PolarHBondContact N-OD1 3.38Å; C113-N138 PolarHBondContact O-OD1 3.43Å; C113-N138 VanDerWaalsContact O-OD1 3.12Å; C113-P139 WeakPolarHBondContact O-CD 2.89Å |
| 114 | N | 94.8 | Very high | 92.4 | Very high | 42 Ų | 42 | 38.1 Ų | 38.1 | 23% | 0.225 | 18% | 0.175 | C | C | . | . | trans | -95.2 | 36.7 | 179.6 | 66.4 | -36 | 0 | 0 | 0 | 113.6 | T80 F81 T84 E116 | T80-N114 WeakPolarHBondContact CA-OD1 3.41Å; F81-N114 PolarHBondContact N-OD1 3.21Å; F81-N114 PolarHBondContact O-ND2 3.21Å; T84-N114 VanDerWaalsContact CB-O 3.28Å; T84-N114 WeakPolarHBondContact CB-O 3.37Å; T84-N114 VanDerWaalsContact CG2-O 3.26Å; T84-N114 WeakPolarHBondContact CG2-O 3.5Å; N114-E116 PolarHBondContact O-N 3.2Å | ||
| 115 | I | 94.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -75.6 | 123.3 | 174.6 | -54 | -58.8 | 0 | 0 | 0 | 109.3 | F81 T84 L86 I110 C113 L118 N138 P139 L140 | F81-I115 HydrophobicContact CD2-CD1 3.67Å; F81-I115 HydrophobicContact CD2-CG1 4.47Å; F81-I115 HydrophobicContact CE2-CD1 4.13Å; T84-I115 CarbonylContact O-C 3.53Å; T84-I115 WeakPolarHBondContact O-CA 3.33Å; L86-I115 HydrophobicContact CB-CG2 4.11Å; I110-I115 HydrophobicContact CG2-CG1 4.15Å; C113-I115 PolarHBondContact O-N 2.73Å; I115-L118 HydrophobicContact CG2-CD2 4.04Å; I115-N138 HydrophobicContact CB-CB 4.24Å; I115-N138 PolarHBondContact N-OD1 3.38Å; I115-P139 CarbonylContact O-C 3.39Å; I115-P139 VanDerWaalsContact O-CD 3.26Å; I115-P139 WeakPolarHBondContact O-CD 3.45Å; I115-L140 HydrophobicContact CB-CD2 4.33Å; I115-L140 HydrophobicContact CG2-CD2 3.76Å | ||
| 116 | E | 93.8 | Very high | 92.5 | Very high | 79 Ų | 79 | 35.4 Ų | 35.4 | 37% | 0.369 | 16% | 0.164 | S | C | . | . | trans | -106.4 | -29.5 | -176.2 | -69.6 | 171.2 | 159.2 | 0 | 0 | 112.5 | T84 N114 P139 L140 I141 E142 | T84-E116 WeakPolarHBondContact CB-OE2 3.48Å; T84-E116 HydrophobicContact CG2-CG 4.23Å; T84-E116 WeakPolarHBondContact CG2-OE2 3.41Å; T84-E116 PolarHBondContact O-N 3.36Å; T84-E116 PolarHBondContact OG1-OE2 3.38Å; N114-E116 PolarHBondContact O-N 3.2Å; E116-P139 HydrophobicContact CG-CG 4.23Å; E116-L140 WeakPolarHBondContact O-CA 3.42Å; E116-I141 PolarHBondContact O-N 3.32Å; E116-E142 PolarHBondContact O-N 3.22Å | ||
| 117 | S | 93.5 | Very high | 91.8 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 17% | 0.168 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 142.7 | -176 | 63.6 | 0 | 0 | 0 | 0 | 113.3 | H85 L86 E142 | H85-S117 WeakPolarHBondContact CA-O 3.28Å; H85-S117 WeakPolarHBondContact CA-OG 3.31Å; H85-S117 WeakPolarHBondContact CB-OG 3.3Å; H85-S117 PolarHBondContact CD2-OG 2.96Å; L86-S117 PolarHBondContact N-O 3.02Å; S117-E142 VanDerWaalsContact CA-O 3.31Å; S117-E142 WeakPolarHBondContact CA-O 3.41Å |
| 118 | L | 94.4 | Very high | 91 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.5 | 173.1 | -56.1 | -179.9 | 0 | 0 | 0 | 110.8 | L86 I115 F123 L135 L140 E142 I143 A144 A147 F148 | L86-L118 HydrophobicContact CB-CD2 3.96Å; L86-L118 HydrophobicContact CD2-CD2 4.09Å; I115-L118 HydrophobicContact CG2-CD2 4.04Å; L118-F123 HydrophobicContact CD1-CE2 4.26Å; L118-F123 HydrophobicContact CD2-CZ 4.46Å; L118-L135 HydrophobicContact CD1-CD1 3.77Å; L118-L140 HydrophobicContact CD1-CD1 4.21Å; L118-L140 HydrophobicContact CD2-CD2 4.28Å; L118-L140 HydrophobicContact CG-CD1 4.49Å; L118-L140 HydrophobicContact CG-CD2 4.12Å; L118-E142 PolarHBondContact N-O 3.05Å; L118-E142 VanDerWaalsContact N-O 3.11Å; L118-I143 HydrophobicContact CB-CG2 4.2Å; L118-I143 HydrophobicContact CD1-CD1 4.35Å; L118-I143 HydrophobicContact CD1-CG1 4.17Å; L118-I143 HydrophobicContact CD1-CG2 4.17Å; L118-I143 HydrophobicContact CG-CG1 4.5Å; L118-A144 VanDerWaalsContact O-CB 3.31Å; L118-A144 WeakPolarHBondContact O-CB 3.36Å; L118-A144 PolarHBondContact O-N 3.27Å; L118-A147 HydrophobicContact CB-CB 4.34Å; L118-F148 HydrophobicContact CD1-CE1 4.39Å; L118-F148 HydrophobicContact CD1-CZ 4.12Å |
| 119 | G | 92.8 | Very high | 90.5 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | trans | -74.8 | 167.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L86 T122 A147 | L86-G119 PolarHBondContact O-N 3.36Å; G119-T122 VanDerWaalsContact C-OG1 3.27Å; G119-T122 WeakPolarHBondContact CA-OG1 3.41Å; G119-T122 PolarHBondContact N-OG1 2.88Å; G119-T122 VanDerWaalsContact N-OG1 3.15Å; G119-T122 WeakPolarHBondContact O-CB 2.99Å; G119-T122 PolarHBondContact O-N 2.6Å; G119-T122 PolarHBondContact O-OG1 3.33Å; G119-A147 WeakPolarHBondContact O-CA 3.41Å; G119-A147 WeakPolarHBondContact O-CB 3.47Å | ||
| 120 | R | 92.9 | Very high | 90.2 | Very high | 137 Ų | 137 | 37.3 Ų | 37.3 | 52% | 0.517 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 138.2 | 172.3 | 174.4 | 174.3 | -70.3 | -113.3 | 1.5 | 110.9 | T122 | R120-T122 PolarHBondContact O-N 3.39Å; R120-T122 VanDerWaalsContact O-N 3.14Å |
| 121 | N | 92 | Very high | 90.1 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 20.3 | 179.2 | -60.8 | -24.6 | 0 | 0 | 0 | 115.2 | F123 Q124 Y146 N149 | N121-F123 PolarHBondContact O-N 2.99Å; N121-F123 VanDerWaalsContact O-N 3.1Å; N121-Q124 HydrophobicContact CB-CB 3.99Å; N121-Q124 PolarHBondContact ND2-OE1 3.2Å; N121-Q124 VanDerWaalsContact O-CB 3.26Å; N121-Q124 WeakPolarHBondContact O-CB 3.38Å; N121-Q124 PolarHBondContact O-N 2.86Å; N121-Y146 WeakPolarHBondContact CA-O 3.43Å; N121-Y146 PolarHBondContact N-O 3.04Å; N121-Y146 PolarHBondContact OD1-O 3.26Å; N121-N149 WeakPolarHBondContact OD1-CB 3.2Å; N121-N149 PolarHBondContact OD1-ND2 2.94Å |
| 122 | T | 91.7 | Very high | 90 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -46.2 | -175.6 | -70.9 | 0 | 0 | 0 | 0 | 112.9 | L86 G87 L91 G119 R120 A147 | L86-T122 HydrophobicContact CD2-CG2 4.12Å; L86-T122 HydrophobicContact CG-CG2 3.89Å; L86-T122 PolarHBondContact O-OG1 2.81Å; L86-T122 VanDerWaalsContact O-OG1 3.11Å; G87-T122 WeakPolarHBondContact CA-OG1 3.32Å; L91-T122 HydrophobicContact CD1-CG2 3.73Å; L91-T122 WeakPolarHBondContact CD1-O 3.33Å; G119-T122 VanDerWaalsContact C-OG1 3.27Å; G119-T122 WeakPolarHBondContact CA-OG1 3.41Å; G119-T122 PolarHBondContact N-OG1 2.88Å; G119-T122 VanDerWaalsContact N-OG1 3.15Å; G119-T122 WeakPolarHBondContact O-CB 2.99Å; G119-T122 PolarHBondContact O-N 2.6Å; G119-T122 PolarHBondContact O-OG1 3.33Å; R120-T122 PolarHBondContact O-N 3.39Å; R120-T122 VanDerWaalsContact O-N 3.14Å; T122-A147 PolarHBondContact N-O 2.86Å |
| 123 | F | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -2.3 | -175.6 | -55.2 | -73.3 | 0 | 0 | 0 | 114.8 | L86 L91 L108 L118 N121 T125 I126 G127 L133 A147 F148 L151 | L86-F123 HydrophobicContact CD2-CE1 4.27Å; L86-F123 HydrophobicContact CD2-CZ 4.24Å; L91-F123 HydrophobicContact CD1-CD1 3.59Å; L91-F123 HydrophobicContact CD1-CE1 3.71Å; L108-F123 HydrophobicContact CD2-CE1 4.36Å; L118-F123 HydrophobicContact CD1-CE2 4.26Å; L118-F123 HydrophobicContact CD2-CZ 4.46Å; N121-F123 PolarHBondContact O-N 2.99Å; N121-F123 VanDerWaalsContact O-N 3.1Å; F123-T125 PolarHBondContact O-N 2.84Å; F123-I126 HydrophobicContact CB-CG1 4.46Å; F123-I126 HydrophobicContact CD1-CD1 4.22Å; F123-I126 CarbonylContact O-C 3.2Å; F123-I126 PolarHBondContact O-N 3.29Å; F123-G127 VanDerWaalsContact O-CA 3.28Å; F123-G127 WeakPolarHBondContact O-CA 3.04Å; F123-G127 PolarHBondContact O-N 2.86Å; F123-L133 HydrophobicContact CD1-CD1 4.45Å; F123-L133 HydrophobicContact CD1-CD2 4.03Å; F123-L133 HydrophobicContact CD2-CD2 3.93Å; F123-L133 HydrophobicContact CE1-CD1 3.81Å; F123-L133 HydrophobicContact CE1-CD2 3.7Å; F123-L133 HydrophobicContact CE1-CG 4.44Å; F123-L133 HydrophobicContact CE2-CD2 3.59Å; F123-L133 HydrophobicContact CG-CD2 4.15Å; F123-L133 HydrophobicContact CZ-CD1 4.12Å; F123-L133 HydrophobicContact CZ-CD2 3.48Å; F123-L133 VanDerWaalsContact CZ-CD2 3.48Å; F123-L133 HydrophobicContact CZ-CG 4.42Å; F123-A147 WeakPolarHBondContact CD2-O 3.45Å; F123-A147 PolarHBondContact N-O 2.9Å; F123-F148 AromaticContact CD2-CD1 3.78Å; F123-F148 HydrophobicContact CD2-CD1 3.78Å; F123-F148 HydrophobicContact CD2-CE1 4.18Å; F123-F148 AromaticContact CE2-CD1 3.87Å; F123-F148 HydrophobicContact CE2-CD1 3.87Å; F123-F148 AromaticContact CE2-CE1 3.77Å; F123-F148 HydrophobicContact CE2-CE1 3.77Å; F123-L151 HydrophobicContact CB-CD1 3.62Å; F123-L151 HydrophobicContact CB-CD2 4.15Å; F123-L151 HydrophobicContact CB-CG 3.95Å; F123-L151 HydrophobicContact CD2-CD1 4.17Å; F123-L151 HydrophobicContact CG-CD1 4.05Å |
| 124 | Q | 88 | Confident | 90.2 | Very high | 92 Ų | 92 | 36.5 Ų | 36.5 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -31.9 | -179.7 | -171.9 | -175.8 | 20.2 | 0 | 0 | 112.2 | R95 N121 I126 N149 | R95-Q124 PolarHBondContact NH1-O 2.99Å; N121-Q124 HydrophobicContact CB-CB 3.99Å; N121-Q124 PolarHBondContact ND2-OE1 3.2Å; N121-Q124 VanDerWaalsContact O-CB 3.26Å; N121-Q124 WeakPolarHBondContact O-CB 3.38Å; N121-Q124 PolarHBondContact O-N 2.86Å; Q124-I126 VanDerWaalsContact C-N 3.34Å; Q124-I126 PolarHBondContact O-N 3.44Å; Q124-N149 VanDerWaalsContact CA-O 3.31Å; Q124-N149 WeakPolarHBondContact CA-O 3.49Å; Q124-N149 PolarHBondContact N-O 2.94Å |
| 125 | T | 81.1 | Confident | 90.2 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -30.7 | 178.8 | -75.2 | 0 | 0 | 0 | 0 | 113.3 | S88 R95 F123 | S88-T125 PolarHBondContact OG-OG1 2.82Å; R95-T125 HydrophobicContact CB-CG2 3.65Å; R95-T125 WeakPolarHBondContact CD-O 3.25Å; R95-T125 HydrophobicContact CG-CG2 4.27Å; R95-T125 VanDerWaalsContact CG-O 3.32Å; R95-T125 WeakPolarHBondContact CG-O 3.35Å; R95-T125 PolarHBondContact NH1-O 2.88Å; F123-T125 PolarHBondContact O-N 2.84Å |
| 126 | I | 85.2 | Confident | 90.3 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 8% | 0.077 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 3.7 | 177.4 | 59.9 | 174.1 | 0 | 0 | 0 | 113.4 | L91 L105 L108 F123 Q124 S128 L130 | L91-I126 HydrophobicContact CD1-CD1 4.43Å; L105-I126 HydrophobicContact CD2-CD1 4.32Å; L108-I126 HydrophobicContact CD2-CD1 3.81Å; F123-I126 HydrophobicContact CB-CG1 4.46Å; F123-I126 HydrophobicContact CD1-CD1 4.22Å; F123-I126 CarbonylContact O-C 3.2Å; F123-I126 PolarHBondContact O-N 3.29Å; Q124-I126 VanDerWaalsContact C-N 3.34Å; Q124-I126 PolarHBondContact O-N 3.44Å; I126-S128 PolarHBondContact O-N 3.1Å; I126-L130 HydrophobicContact CD1-CD1 4.41Å; I126-L130 HydrophobicContact CD1-CD2 3.93Å; I126-L130 HydrophobicContact CG1-CD2 4.43Å |
| 127 | G | 74.7 | Confident | 90.4 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -33.1 | -153.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | F123 Q129 G150 L151 | F123-G127 VanDerWaalsContact O-CA 3.28Å; F123-G127 WeakPolarHBondContact O-CA 3.04Å; F123-G127 PolarHBondContact O-N 2.86Å; G127-Q129 PolarHBondContact O-N 3.43Å; G127-Q129 VanDerWaalsContact O-N 3.11Å; G127-G150 CarbonylContact C-O 3.43Å; G127-G150 WeakPolarHBondContact CA-O 3.28Å; G127-L151 WeakPolarHBondContact O-CA 3.37Å |
| 128 | S | 78.2 | Confident | 90.4 | Very high | 86 Ų | 86 | 30.7 Ų | 30.7 | 60% | 0.601 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -12.5 | -170.3 | 58.2 | 0 | 0 | 0 | 0 | 115.3 | I126 | I126-S128 PolarHBondContact O-N 3.1Š|
| 129 | Q | 83.4 | Confident | 90.4 | Very high | 71 Ų | 71 | 33.4 Ų | 33.4 | 33% | 0.332 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | -15.6 | -175 | -68.8 | 175.3 | -22.9 | 0 | 0 | 113.6 | Q104 L105 G127 R131 | Q104-Q129 VanDerWaalsContact CB-OE1 3.31Å; Q104-Q129 VanDerWaalsContact CG-OE1 3.31Å; L105-Q129 CarbonylContact O-C 3.56Å; G127-Q129 PolarHBondContact O-N 3.43Å; G127-Q129 VanDerWaalsContact O-N 3.11Å; Q129-R131 PolarHBondContact O-N 2.81Å |
| 130 | L | 91 | Very high | 90.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -72.1 | 114.6 | -179.6 | -165.7 | 74.9 | 0 | 0 | 0 | 110.4 | L105 L108 I126 L133 L151 | L105-L130 HydrophobicContact CD2-CD1 4.34Å; L105-L130 HydrophobicContact CG-CD1 4.16Å; L105-L130 WeakPolarHBondContact O-CA 3.25Å; L105-L130 PolarHBondContact O-N 3.34Å; L108-L130 HydrophobicContact CB-CD1 3.74Å; L108-L130 HydrophobicContact CB-CD2 4.4Å; I126-L130 HydrophobicContact CD1-CD1 4.41Å; I126-L130 HydrophobicContact CD1-CD2 3.93Å; I126-L130 HydrophobicContact CG1-CD2 4.43Å; L130-L133 HydrophobicContact CD2-CB 4.03Å; L130-L133 HydrophobicContact CD2-CD1 4.42Å; L130-L151 HydrophobicContact CB-CD2 3.66Å; L130-L151 HydrophobicContact CD2-CD2 3.68Å; L130-L151 HydrophobicContact CG-CD2 4.19Å | ||
| 131 | R | 92.9 | Very high | 90.3 | Very high | 96 Ų | 96 | 31.8 Ų | 31.8 | 36% | 0.362 | 17% | 0.172 | S | C | . | . | trans | -100.4 | -22.5 | 179.1 | -59.6 | -52.5 | -164 | -166.3 | 3.7 | 112.8 | K106 Q129 D152 T155 | K106-R131 PolarHBondContact O-N 3.48Å; Q129-R131 PolarHBondContact O-N 2.81Å; R131-D152 PolarHBondContact NH1-O 3.5Å; R131-D152 IonicContact NH1-OD2 2.82Å; R131-D152 PolarHBondContact NH1-OD2 3.46Å; R131-T155 PolarHBondContact O-N 3.04Å | ||
| 132 | L | 95.5 | Very high | 90.2 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 23% | 0.225 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 127 | 177.1 | -169.1 | 160.5 | 0 | 0 | 0 | 110.2 | K106 S107 L108 H109 D134 T155 I157 | K106-L132 PolarHBondContact O-N 3.38Å; S107-L132 WeakPolarHBondContact CA-O 3.47Å; L108-L132 PolarHBondContact N-O 3.39Å; H109-L132 WeakPolarHBondContact CE1-CD2 3.38Å; L132-D134 HydrophobicContact CD2-CB 3.84Å; L132-T155 WeakPolarHBondContact CA-O 2.93Å; L132-T155 HydrophobicContact CD1-CG2 4.45Å; L132-T155 HydrophobicContact CG-CG2 4.26Å; L132-I157 HydrophobicContact CD1-CD1 4.39Å; L132-I157 HydrophobicContact CD2-CD1 4.21Å; L132-I157 HydrophobicContact CG-CD1 4.44Å |
| 133 | L | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.5 | 170.5 | 176.7 | 58.6 | 0 | 0 | 0 | 108.6 | L108 F123 L130 L135 F148 L154 T155 L156 I157 | L108-L133 HydrophobicContact CB-CD1 4.19Å; L108-L133 HydrophobicContact CD2-CD1 4Å; L108-L133 HydrophobicContact CG-CD1 4.06Å; L108-L133 CarbonylContact O-C 3.3Å; L108-L133 WeakPolarHBondContact O-CA 3.42Å; F123-L133 HydrophobicContact CD1-CD1 4.45Å; F123-L133 HydrophobicContact CD1-CD2 4.03Å; F123-L133 HydrophobicContact CD2-CD2 3.93Å; F123-L133 HydrophobicContact CE1-CD1 3.81Å; F123-L133 HydrophobicContact CE1-CD2 3.7Å; F123-L133 HydrophobicContact CE1-CG 4.44Å; F123-L133 HydrophobicContact CE2-CD2 3.59Å; F123-L133 HydrophobicContact CG-CD2 4.15Å; F123-L133 HydrophobicContact CZ-CD1 4.12Å; F123-L133 HydrophobicContact CZ-CD2 3.48Å; F123-L133 VanDerWaalsContact CZ-CD2 3.48Å; F123-L133 HydrophobicContact CZ-CG 4.42Å; L130-L133 HydrophobicContact CD2-CB 4.03Å; L130-L133 HydrophobicContact CD2-CD1 4.42Å; L133-L135 HydrophobicContact CD1-CD2 4.04Å; L133-L135 HydrophobicContact CD1-CG 4.24Å; L133-L135 HydrophobicContact CD2-CD1 4.37Å; L133-L135 HydrophobicContact CG-CD1 4.42Å; L133-L135 HydrophobicContact CG-CG 4.17Å; L133-F148 HydrophobicContact CD2-CD1 4.14Å; L133-F148 HydrophobicContact CD2-CE1 3.87Å; L133-L154 HydrophobicContact CB-CD1 3.91Å; L133-T155 PolarHBondContact N-O 2.95Å; L133-L156 HydrophobicContact CB-CD1 4.09Å; L133-L156 HydrophobicContact CD2-CD1 3.89Å; L133-L156 HydrophobicContact CG-CD1 3.92Å; L133-L156 CarbonylContact O-C 3.09Å; L133-L156 WeakPolarHBondContact O-CA 3.35Å; L133-I157 PolarHBondContact O-N 2.92Å |
| 134 | D | 96.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.1 | -178.8 | 174.3 | 7.2 | 0 | 0 | 0 | 109.9 | L108 H109 I110 R111 L132 T136 I157 | L108-D134 PolarHBondContact O-N 3.26Å; H109-D134 WeakPolarHBondContact CA-O 3.23Å; H109-D134 HydrophobicContact CB-CB 4.12Å; H109-D134 IonicContact CE1-OD2 2.7Å; H109-D134 IonicContact CG-OD2 2.98Å; H109-D134 VanDerWaalsContact ND1-CB 3.3Å; H109-D134 WeakPolarHBondContact ND1-CB 3.3Å; H109-D134 IonicContact ND1-OD2 2.76Å; H109-D134 PolarHBondContact ND1-OD2 2.8Å; I110-D134 PolarHBondContact N-O 2.96Å; R111-D134 WeakPolarHBondContact CD-OD2 3.3Å; R111-D134 IonicContact NE-OD1 2.97Å; R111-D134 IonicContact NE-OD2 3.06Å; R111-D134 PolarHBondContact NE-OD2 3.37Å; R111-D134 VanDerWaalsContact NE-OD2 3.14Å; L132-D134 HydrophobicContact CD2-CB 3.84Å; D134-T136 WeakPolarHBondContact OD1-CB 3.48Å; D134-T136 PolarHBondContact OD1-N 3.2Å; D134-T136 PolarHBondContact OD1-OG1 3.12Å; D134-I157 HydrophobicContact CB-CB 4.07Å; D134-I157 HydrophobicContact CB-CD1 4.31Å; D134-I157 HydrophobicContact CB-CG1 4.45Å |
| 135 | L | 95.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | -117.7 | 19.9 | -177.5 | -60.3 | 175.6 | 0 | 0 | 0 | 111.4 | I110 L118 L133 G137 N138 L140 I157 I161 | I110-L135 HydrophobicContact CB-CD2 4.36Å; I110-L135 WeakPolarHBondContact O-CA 3.01Å; L118-L135 HydrophobicContact CD1-CD1 3.77Å; L133-L135 HydrophobicContact CD1-CD2 4.04Å; L133-L135 HydrophobicContact CD1-CG 4.24Å; L133-L135 HydrophobicContact CD2-CD1 4.37Å; L133-L135 HydrophobicContact CG-CD1 4.42Å; L133-L135 HydrophobicContact CG-CG 4.17Å; L135-G137 PolarHBondContact O-N 3.03Å; L135-N138 VanDerWaalsContact C-ND2 3.31Å; L135-N138 PolarHBondContact O-N 3.19Å; L135-N138 PolarHBondContact O-ND2 3.2Å; L135-L140 HydrophobicContact CD1-CD1 4.33Å; L135-I157 PolarHBondContact N-O 2.82Å; L135-I161 HydrophobicContact CB-CD1 4.15Å; L135-I161 WeakPolarHBondContact O-CD1 3.33Å | ||
| 136 | T | 96.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 131.4 | -174.7 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | R111 Y112 D134 N138 D159 | R111-T136 CarbonylContact C-O 3.52Å; R111-T136 VanDerWaalsContact CA-O 3.3Å; R111-T136 WeakPolarHBondContact CA-O 2.98Å; Y112-T136 HydrophobicContact CE2-CG2 4.25Å; Y112-T136 PolarHBondContact N-O 3.48Å; D134-T136 WeakPolarHBondContact OD1-CB 3.48Å; D134-T136 PolarHBondContact OD1-N 3.2Å; D134-T136 PolarHBondContact OD1-OG1 3.12Å; T136-N138 VanDerWaalsContact C-N 3.27Å; T136-N138 PolarHBondContact O-N 3.05Å; T136-D159 CarbonylContact C-O 3.56Å; T136-D159 VanDerWaalsContact CA-O 3.31Å; T136-D159 WeakPolarHBondContact CA-O 2.98Å; T136-D159 HydrophobicContact CG2-CB 3.87Å |
| 137 | G | 94.8 | Very high | 91.4 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 21% | 0.206 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 13.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L135 D159 | L135-G137 PolarHBondContact O-N 3.03Å; G137-D159 PolarHBondContact N-O 2.89Å |
| 138 | N | 95.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | trans | -80 | 144.9 | 168.1 | -68.6 | -86.8 | 0 | 0 | 0 | 110.7 | I110 C113 I115 L135 T136 L140 | I110-N138 PolarHBondContact O-ND2 2.83Å; C113-N138 VanDerWaalsContact C-OD1 3.29Å; C113-N138 WeakPolarHBondContact CA-OD1 3.31Å; C113-N138 WeakPolarHBondContact CB-OD1 3.31Å; C113-N138 PolarHBondContact N-OD1 3.38Å; C113-N138 PolarHBondContact O-OD1 3.43Å; C113-N138 VanDerWaalsContact O-OD1 3.12Å; I115-N138 HydrophobicContact CB-CB 4.24Å; I115-N138 PolarHBondContact N-OD1 3.38Å; L135-N138 VanDerWaalsContact C-ND2 3.31Å; L135-N138 PolarHBondContact O-N 3.19Å; L135-N138 PolarHBondContact O-ND2 3.2Å; T136-N138 VanDerWaalsContact C-N 3.27Å; T136-N138 PolarHBondContact O-N 3.05Å; N138-L140 HydrophobicContact CB-CD2 4.49Å; N138-L140 HydrophobicContact CB-CG 4.28Å; N138-L140 PolarHBondContact O-N 3.23Å | ||
| 139 | P | 93.7 | Very high | 92.9 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 38% | 0.383 | 17% | 0.171 | S | C | . | . | trans | -77.5 | 52.5 | 177.8 | 35.9 | -38.5 | 0 | 0 | 0 | 112.3 | C113 I115 E116 I141 | C113-P139 WeakPolarHBondContact O-CD 2.89Å; I115-P139 CarbonylContact O-C 3.39Å; I115-P139 VanDerWaalsContact O-CD 3.26Å; I115-P139 WeakPolarHBondContact O-CD 3.45Å; E116-P139 HydrophobicContact CG-CG 4.23Å; P139-I141 WeakPolarHBondContact O-CG1 3.39Å; P139-I141 PolarHBondContact O-N 3.12Å | ||
| 140 | L | 92.7 | Very high | 93 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | trans | -62.6 | 123.2 | 179.4 | -60.9 | -179.3 | 0 | 0 | 0 | 111.1 | I115 E116 L118 L135 N138 I143 I161 L163 | I115-L140 HydrophobicContact CB-CD2 4.33Å; I115-L140 HydrophobicContact CG2-CD2 3.76Å; E116-L140 WeakPolarHBondContact O-CA 3.42Å; L118-L140 HydrophobicContact CD1-CD1 4.21Å; L118-L140 HydrophobicContact CD2-CD2 4.28Å; L118-L140 HydrophobicContact CG-CD1 4.49Å; L118-L140 HydrophobicContact CG-CD2 4.12Å; L135-L140 HydrophobicContact CD1-CD1 4.33Å; N138-L140 HydrophobicContact CB-CD2 4.49Å; N138-L140 HydrophobicContact CB-CG 4.28Å; N138-L140 PolarHBondContact O-N 3.23Å; L140-I143 HydrophobicContact CD1-CD1 4.15Å; L140-I143 HydrophobicContact CD1-CG1 4.37Å; L140-I161 HydrophobicContact CB-CG2 3.73Å; L140-I161 HydrophobicContact CD1-CD1 3.72Å; L140-I161 HydrophobicContact CD1-CG2 4.26Å; L140-I161 HydrophobicContact CG-CD1 4.29Å; L140-I161 HydrophobicContact CG-CG2 4.22Å; L140-L163 HydrophobicContact CB-CD1 4.22Å | ||
| 141 | I | 90.9 | Very high | 93 | Very high | 110 Ų | 110 | 31.6 Ų | 31.6 | 56% | 0.564 | 17% | 0.17 | S | C | * | . | trans | -102.2 | -37.4 | 175.6 | -53.9 | 176.9 | 0 | 0 | 0 | 110 | E116 P139 L163 P164 | E116-I141 PolarHBondContact O-N 3.32Å; P139-I141 WeakPolarHBondContact O-CG1 3.39Å; P139-I141 PolarHBondContact O-N 3.12Å; I141-L163 WeakPolarHBondContact O-CD1 3.26Å; I141-P164 WeakPolarHBondContact O-CD 3.38Å | ||
| 142 | E | 90 | Very high | 92.8 | Very high | 106 Ų | 106 | 29 Ų | 29 | 50% | 0.495 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 139.6 | -176.1 | -170.2 | -179.7 | 164.4 | 0 | 0 | 112.1 | E116 S117 L118 | E116-E142 PolarHBondContact O-N 3.22Å; S117-E142 VanDerWaalsContact CA-O 3.31Å; S117-E142 WeakPolarHBondContact CA-O 3.41Å; L118-E142 PolarHBondContact N-O 3.05Å; L118-E142 VanDerWaalsContact N-O 3.11Å |
| 143 | I | 93 | Very high | 92.3 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 113.7 | 167 | -54.4 | 178.4 | 0 | 0 | 0 | 107 | L118 L140 A147 F148 M158 L163 F166 T170 | L118-I143 HydrophobicContact CB-CG2 4.2Å; L118-I143 HydrophobicContact CD1-CD1 4.35Å; L118-I143 HydrophobicContact CD1-CG1 4.17Å; L118-I143 HydrophobicContact CD1-CG2 4.17Å; L118-I143 HydrophobicContact CG-CG1 4.5Å; L140-I143 HydrophobicContact CD1-CD1 4.15Å; L140-I143 HydrophobicContact CD1-CG1 4.37Å; I143-A147 HydrophobicContact CG2-CB 3.66Å; I143-F148 HydrophobicContact CD1-CZ 4.47Å; I143-F148 HydrophobicContact CG2-CE2 3.84Å; I143-F148 HydrophobicContact CG2-CZ 4.26Å; I143-M158 HydrophobicContact CD1-SD 4.17Å; I143-L163 HydrophobicContact CD1-CD1 4.45Å; I143-L163 HydrophobicContact CD1-CD2 3.92Å; I143-L163 HydrophobicContact CG1-CD1 4.13Å; I143-L163 HydrophobicContact CG1-CD2 4.28Å; I143-F166 HydrophobicContact CD1-CE1 4.33Å; I143-T170 HydrophobicContact CB-CG2 4.06Å; I143-T170 HydrophobicContact CG2-CG2 3.53Å |
| 144 | A | 92.8 | Very high | 92.2 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | trans | -69 | 153.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L118 Y146 A147 | L118-A144 VanDerWaalsContact O-CB 3.31Å; L118-A144 WeakPolarHBondContact O-CB 3.36Å; L118-A144 PolarHBondContact O-N 3.27Å; A144-Y146 PolarHBondContact O-N 3Å; A144-A147 VanDerWaalsContact O-CB 3.22Å; A144-A147 WeakPolarHBondContact O-CB 3.43Å; A144-A147 PolarHBondContact O-N 3.2Å | ||
| 145 | D | 92 | Very high | 92.1 | Very high | 43 Ų | 43 | 30.9 Ų | 30.9 | 23% | 0.23 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 135.2 | 170.1 | -73.1 | -6.5 | 0 | 0 | 0 | 111.8 | A147 H167 N169 | D145-A147 VanDerWaalsContact C-N 3.25Å; D145-A147 PolarHBondContact O-N 3Å; D145-H167 WeakPolarHBondContact OD1-CB 3.34Å; D145-N169 HydrophobicContact CB-CB 3.96Å |
| 146 | Y | 92.1 | Very high | 92.1 | Very high | 77 Ų | 77 | 30.8 Ų | 30.8 | 30% | 0.302 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 22.7 | -177 | -53.9 | -103.6 | 0 | 0 | 0 | 114.8 | N121 A144 F148 N149 N169 N172 | N121-Y146 WeakPolarHBondContact CA-O 3.43Å; N121-Y146 PolarHBondContact N-O 3.04Å; N121-Y146 PolarHBondContact OD1-O 3.26Å; A144-Y146 PolarHBondContact O-N 3Å; Y146-F148 PolarHBondContact O-N 3.26Å; Y146-N149 VanDerWaalsContact O-CB 3.24Å; Y146-N149 WeakPolarHBondContact O-CB 3.41Å; Y146-N149 PolarHBondContact O-N 2.84Å; Y146-N169 HydrophobicContact CE2-CB 4.24Å; Y146-N169 PolarHBondContact N-O 2.77Å; Y146-N172 HydrophobicContact CD1-CB 3.38Å; Y146-N172 HydrophobicContact CD2-CB 4.25Å; Y146-N172 HydrophobicContact CE1-CB 3.27Å; Y146-N172 HydrophobicContact CE2-CB 4.13Å; Y146-N172 HydrophobicContact CG-CB 3.87Å; Y146-N172 PolarHBondContact OH-ND2 2.83Å; Y146-N172 VanDerWaalsContact OH-ND2 3.15Å |
| 147 | A | 92.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -38.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L118 G119 T122 F123 I143 A144 D145 | L118-A147 HydrophobicContact CB-CB 4.34Å; G119-A147 WeakPolarHBondContact O-CA 3.41Å; G119-A147 WeakPolarHBondContact O-CB 3.47Å; T122-A147 PolarHBondContact N-O 2.86Å; F123-A147 WeakPolarHBondContact CD2-O 3.45Å; F123-A147 PolarHBondContact N-O 2.9Å; I143-A147 HydrophobicContact CG2-CB 3.66Å; A144-A147 VanDerWaalsContact O-CB 3.22Å; A144-A147 WeakPolarHBondContact O-CB 3.43Å; A144-A147 PolarHBondContact O-N 3.2Å; D145-A147 VanDerWaalsContact C-N 3.25Å; D145-A147 PolarHBondContact O-N 3Å |
| 148 | F | 92.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 10.7 | -177.6 | -57.9 | -70.8 | 0 | 0 | 0 | 114.6 | L118 F123 L133 I143 Y146 G150 L151 L156 M158 T170 F171 L174 | L118-F148 HydrophobicContact CD1-CE1 4.39Å; L118-F148 HydrophobicContact CD1-CZ 4.12Å; F123-F148 AromaticContact CD2-CD1 3.78Å; F123-F148 HydrophobicContact CD2-CD1 3.78Å; F123-F148 HydrophobicContact CD2-CE1 4.18Å; F123-F148 AromaticContact CE2-CD1 3.87Å; F123-F148 HydrophobicContact CE2-CD1 3.87Å; F123-F148 AromaticContact CE2-CE1 3.77Å; F123-F148 HydrophobicContact CE2-CE1 3.77Å; L133-F148 HydrophobicContact CD2-CD1 4.14Å; L133-F148 HydrophobicContact CD2-CE1 3.87Å; I143-F148 HydrophobicContact CD1-CZ 4.47Å; I143-F148 HydrophobicContact CG2-CE2 3.84Å; I143-F148 HydrophobicContact CG2-CZ 4.26Å; Y146-F148 PolarHBondContact O-N 3.26Å; F148-G150 PolarHBondContact O-N 3.17Å; F148-L151 HydrophobicContact CB-CD1 4.08Å; F148-L151 HydrophobicContact CD1-CD1 4.09Å; F148-L151 PolarHBondContact O-N 3.43Å; F148-L156 HydrophobicContact CD1-CD2 4.43Å; F148-L156 HydrophobicContact CE1-CD1 3.96Å; F148-L156 HydrophobicContact CE1-CD2 3.89Å; F148-L156 HydrophobicContact CE2-CD2 4.18Å; F148-L156 HydrophobicContact CZ-CD1 4.38Å; F148-L156 HydrophobicContact CZ-CD2 3.75Å; F148-M158 HydrophobicContact CZ-SD 4.42Å; F148-T170 HydrophobicContact CD2-CG2 4.27Å; F148-T170 HydrophobicContact CE2-CG2 3.97Å; F148-F171 AromaticContact CD2-CD1 3.65Å; F148-F171 HydrophobicContact CD2-CD1 3.65Å; F148-F171 AromaticContact CD2-CE1 3.81Å; F148-F171 HydrophobicContact CD2-CE1 3.81Å; F148-F171 AromaticContact CE2-CD1 3.98Å; F148-F171 HydrophobicContact CE2-CD1 3.98Å; F148-F171 AromaticContact CE2-CE1 3.64Å; F148-F171 HydrophobicContact CE2-CE1 3.64Å; F148-L174 HydrophobicContact CB-CD1 4.05Å; F148-L174 HydrophobicContact CB-CD2 3.98Å; F148-L174 HydrophobicContact CB-CG 3.94Å; F148-L174 WeakPolarHBondContact O-CD2 3.29Å |
| 149 | N | 91.4 | Very high | 92 | Very high | 38 Ų | 38 | 31.2 Ų | 31.2 | 20% | 0.203 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 135.1 | -176.4 | -179.2 | 24.1 | 0 | 0 | 0 | 113 | N121 Q124 Y146 G173 | N121-N149 WeakPolarHBondContact OD1-CB 3.2Å; N121-N149 PolarHBondContact OD1-ND2 2.94Å; Q124-N149 VanDerWaalsContact CA-O 3.31Å; Q124-N149 WeakPolarHBondContact CA-O 3.49Å; Q124-N149 PolarHBondContact N-O 2.94Å; Y146-N149 VanDerWaalsContact O-CB 3.24Å; Y146-N149 WeakPolarHBondContact O-CB 3.41Å; Y146-N149 PolarHBondContact O-N 2.84Å; N149-G173 WeakPolarHBondContact OD1-CA 3.2Å |
| 150 | G | 86.7 | Confident | 92 | Very high | 31 Ų | 31 | 32.4 Ų | 32.4 | 32% | 0.32 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 3.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G127 F148 G173 | G127-G150 CarbonylContact C-O 3.43Å; G127-G150 WeakPolarHBondContact CA-O 3.28Å; F148-G150 PolarHBondContact O-N 3.17Å; G150-G173 PolarHBondContact N-O 3.39Å; G150-G173 VanDerWaalsContact N-O 3.16Å |
| 151 | L | 90.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -84.7 | 137.9 | 171.7 | -70.1 | 164.6 | 0 | 0 | 0 | 111.5 | F123 G127 L130 F148 L154 L174 T175 | F123-L151 HydrophobicContact CB-CD1 3.62Å; F123-L151 HydrophobicContact CB-CD2 4.15Å; F123-L151 HydrophobicContact CB-CG 3.95Å; F123-L151 HydrophobicContact CD2-CD1 4.17Å; F123-L151 HydrophobicContact CG-CD1 4.05Å; G127-L151 WeakPolarHBondContact O-CA 3.37Å; L130-L151 HydrophobicContact CB-CD2 3.66Å; L130-L151 HydrophobicContact CD2-CD2 3.68Å; L130-L151 HydrophobicContact CG-CD2 4.19Å; F148-L151 HydrophobicContact CB-CD1 4.08Å; F148-L151 HydrophobicContact CD1-CD1 4.09Å; F148-L151 PolarHBondContact O-N 3.43Å; L151-L154 HydrophobicContact CB-CB 4.49Å; L151-L154 HydrophobicContact CB-CD2 4.3Å; L151-L154 HydrophobicContact CD1-CD1 4.29Å; L151-L154 HydrophobicContact CD1-CD2 3.73Å; L151-L154 HydrophobicContact CD2-CD1 4.26Å; L151-L174 HydrophobicContact CB-CD2 3.61Å; L151-T175 PolarHBondContact O-OG1 2.89Å | ||
| 152 | D | 87.6 | Confident | 91.5 | Very high | 42 Ų | 42 | 35.3 Ų | 35.3 | 23% | 0.225 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.7 | 179.6 | -179.9 | 62.7 | 0 | 0 | 0 | 112.9 | R131 L154 T175 R176 | R131-D152 PolarHBondContact NH1-O 3.5Å; R131-D152 IonicContact NH1-OD2 2.82Å; R131-D152 PolarHBondContact NH1-OD2 3.46Å; D152-L154 VanDerWaalsContact C-N 3.3Å; D152-L154 PolarHBondContact O-N 2.67Å; D152-T175 WeakPolarHBondContact CB-OG1 3.16Å; D152-T175 PolarHBondContact OD1-OG1 3.01Å; D152-R176 WeakPolarHBondContact OD1-CB 3.24Å |
| 153 | Q | 87 | Confident | 91.1 | Very high | 70 Ų | 70 | 31.2 Ų | 31.2 | 33% | 0.327 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.1 | 41.8 | -176.3 | -58.2 | 164.7 | 38.5 | 0 | 0 | 113.3 | R176 | Q153-R176 VanDerWaalsContact CA-O 3.25Å; Q153-R176 WeakPolarHBondContact CA-O 3.36Å; Q153-R176 HydrophobicContact CG-CB 4.26Å; Q153-R176 HydrophobicContact CG-CG 4.1Å; Q153-R176 PolarHBondContact N-O 2.99Å |
| 154 | L | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.5 | -173.9 | -174.2 | 68 | 0 | 0 | 0 | 113.1 | L133 L151 D152 L156 L174 R176 M177 K178 S179 | L133-L154 HydrophobicContact CB-CD1 3.91Å; L151-L154 HydrophobicContact CB-CB 4.49Å; L151-L154 HydrophobicContact CB-CD2 4.3Å; L151-L154 HydrophobicContact CD1-CD1 4.29Å; L151-L154 HydrophobicContact CD1-CD2 3.73Å; L151-L154 HydrophobicContact CD2-CD1 4.26Å; D152-L154 VanDerWaalsContact C-N 3.3Å; D152-L154 PolarHBondContact O-N 2.67Å; L154-L156 HydrophobicContact CD2-CB 4.07Å; L154-L156 HydrophobicContact CG-CB 4.34Å; L154-L174 HydrophobicContact CD2-CD2 4.08Å; L154-R176 PolarHBondContact N-O 2.8Å; L154-M177 WeakPolarHBondContact O-CG 3.5Å; L154-K178 PolarHBondContact O-N 3.17Å; L154-S179 PolarHBondContact O-N 3.38Å |
| 155 | T | 95.5 | Very high | 89.3 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 114.8 | 154.7 | -68.6 | 0 | 0 | 0 | 0 | 108.4 | R131 L132 L133 I157 S179 I181 | R131-T155 PolarHBondContact O-N 3.04Å; L132-T155 WeakPolarHBondContact CA-O 2.93Å; L132-T155 HydrophobicContact CD1-CG2 4.45Å; L132-T155 HydrophobicContact CG-CG2 4.26Å; L133-T155 PolarHBondContact N-O 2.95Å; T155-I157 HydrophobicContact CG2-CG1 4.25Å; T155-S179 WeakPolarHBondContact CA-O 3.35Å; T155-I181 HydrophobicContact CG2-CD1 4.25Å |
| 156 | L | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 123.6 | 178.7 | -179.6 | 57.5 | 0 | 0 | 0 | 109.8 | L133 F148 L154 M158 F171 M177 S179 L180 I181 | L133-L156 HydrophobicContact CB-CD1 4.09Å; L133-L156 HydrophobicContact CD2-CD1 3.89Å; L133-L156 HydrophobicContact CG-CD1 3.92Å; L133-L156 CarbonylContact O-C 3.09Å; L133-L156 WeakPolarHBondContact O-CA 3.35Å; F148-L156 HydrophobicContact CD1-CD2 4.43Å; F148-L156 HydrophobicContact CE1-CD1 3.96Å; F148-L156 HydrophobicContact CE1-CD2 3.89Å; F148-L156 HydrophobicContact CE2-CD2 4.18Å; F148-L156 HydrophobicContact CZ-CD1 4.38Å; F148-L156 HydrophobicContact CZ-CD2 3.75Å; L154-L156 HydrophobicContact CD2-CB 4.07Å; L154-L156 HydrophobicContact CG-CB 4.34Å; L156-M158 HydrophobicContact CD1-CG 4.04Å; L156-M158 HydrophobicContact CD1-SD 4.36Å; L156-M158 HydrophobicContact CD2-CE 3.6Å; L156-M158 HydrophobicContact CD2-CG 4.39Å; L156-M158 HydrophobicContact CD2-SD 3.87Å; L156-M158 HydrophobicContact CG-CE 4.02Å; L156-M158 HydrophobicContact CG-CG 3.97Å; L156-M158 HydrophobicContact CG-SD 4.12Å; L156-F171 HydrophobicContact CD2-CE1 3.94Å; L156-M177 HydrophobicContact CB-CE 3.42Å; L156-M177 VanDerWaalsContact CB-CE 3.42Å; L156-M177 HydrophobicContact CD2-CE 3.98Å; L156-M177 HydrophobicContact CG-CE 4.32Å; L156-S179 PolarHBondContact N-O 2.86Å; L156-L180 HydrophobicContact CB-CD1 4.43Å; L156-L180 HydrophobicContact CD2-CD1 4.25Å; L156-L180 HydrophobicContact CG-CD1 4.39Å; L156-I181 PolarHBondContact O-N 2.86Å |
| 157 | I | 96.6 | Very high | 88.4 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.5 | 176.9 | -46.4 | -176.5 | 0 | 0 | 0 | 108.5 | L132 L133 D134 L135 T155 D159 I181 | L132-I157 HydrophobicContact CD1-CD1 4.39Å; L132-I157 HydrophobicContact CD2-CD1 4.21Å; L132-I157 HydrophobicContact CG-CD1 4.44Å; L133-I157 PolarHBondContact O-N 2.92Å; D134-I157 HydrophobicContact CB-CB 4.07Å; D134-I157 HydrophobicContact CB-CD1 4.31Å; D134-I157 HydrophobicContact CB-CG1 4.45Å; L135-I157 PolarHBondContact N-O 2.82Å; T155-I157 HydrophobicContact CG2-CG1 4.25Å; I157-D159 HydrophobicContact CG2-CB 4.43Å; I157-D159 VanDerWaalsContact CG2-OD2 3.29Å; I157-D159 WeakPolarHBondContact CG2-OD2 3.05Å; I157-I181 HydrophobicContact CG1-CB 4.41Å; I157-I181 HydrophobicContact CG1-CD1 4.24Å; I157-I181 HydrophobicContact CG2-CB 4.39Å; I157-I181 HydrophobicContact CG2-CG2 4.27Å |
| 158 | M | 93.6 | Very high | 88 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | trans | -134.1 | 52.9 | -178 | -73.7 | -172.9 | -54.6 | 0 | 0 | 109.1 | I143 F148 L156 I161 F166 F171 L180 I181 M182 S185 | I143-M158 HydrophobicContact CD1-SD 4.17Å; F148-M158 HydrophobicContact CZ-SD 4.42Å; L156-M158 HydrophobicContact CD1-CG 4.04Å; L156-M158 HydrophobicContact CD1-SD 4.36Å; L156-M158 HydrophobicContact CD2-CE 3.6Å; L156-M158 HydrophobicContact CD2-CG 4.39Å; L156-M158 HydrophobicContact CD2-SD 3.87Å; L156-M158 HydrophobicContact CG-CE 4.02Å; L156-M158 HydrophobicContact CG-CG 3.97Å; L156-M158 HydrophobicContact CG-SD 4.12Å; M158-I161 HydrophobicContact CB-CD1 3.65Å; M158-I161 HydrophobicContact CB-CG1 4.29Å; M158-I161 HydrophobicContact CG-CD1 3.85Å; M158-F166 HydrophobicContact CE-CE1 4.02Å; M158-F166 HydrophobicContact CE-CZ 4.26Å; M158-F171 HydrophobicContact CE-CZ 4.35Å; M158-L180 HydrophobicContact CE-CD1 3.62Å; M158-I181 PolarHBondContact N-O 3.02Å; M158-M182 HydrophobicContact CB-CG 4.1Å; M158-M182 HydrophobicContact CE-CG 4.12Å; M158-M182 HydrophobicContact CE-SD 3.9Å; M158-S185 PolarHBondContact O-OG 3.15Å | ||
| 159 | D | 94.3 | Very high | 87.8 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 147.3 | 177.9 | -60.6 | -25.8 | 0 | 0 | 0 | 111.2 | T136 G137 I157 I161 I181 R183 | T136-D159 CarbonylContact C-O 3.56Å; T136-D159 VanDerWaalsContact CA-O 3.31Å; T136-D159 WeakPolarHBondContact CA-O 2.98Å; T136-D159 HydrophobicContact CG2-CB 3.87Å; G137-D159 PolarHBondContact N-O 2.89Å; I157-D159 HydrophobicContact CG2-CB 4.43Å; I157-D159 VanDerWaalsContact CG2-OD2 3.29Å; I157-D159 WeakPolarHBondContact CG2-OD2 3.05Å; D159-I161 WeakPolarHBondContact O-CG1 3.24Å; D159-I161 PolarHBondContact O-N 2.85Å; D159-I161 VanDerWaalsContact O-N 3.1Å; D159-I181 WeakPolarHBondContact OD1-CG2 3.45Å; D159-R183 CarbonylContact C-O 3.51Å; D159-R183 VanDerWaalsContact CA-O 3.24Å; D159-R183 WeakPolarHBondContact CA-O 3.15Å; D159-R183 HydrophobicContact CB-CB 4.32Å; D159-R183 VanDerWaalsContact CG-NE 3.35Å; D159-R183 VanDerWaalsContact OD1-CB 3.24Å; D159-R183 WeakPolarHBondContact OD1-CB 2.76Å; D159-R183 WeakPolarHBondContact OD1-CG 3.16Å; D159-R183 PolarHBondContact OD1-N 3.17Å; D159-R183 IonicContact OD1-NE 3.04Å; D159-R183 PolarHBondContact OD1-NE 2.82Å; D159-R183 IonicContact OD2-CZ 3.79Å; D159-R183 IonicContact OD2-NE 3.39Å; D159-R183 PolarHBondContact OD2-NE 3.38Å; D159-R183 IonicContact OD2-NH2 2.65Å; D159-R183 PolarHBondContact OD2-NH2 3.43Å |
| 160 | E | 93.1 | Very high | 87.7 | Confident | 85 Ų | 85 | 44.7 Ų | 44.7 | 40% | 0.397 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 21.4 | 176.2 | -60.8 | 178 | -134.9 | 0 | 0 | 114.5 | Y112 R183 N184 S185 | Y112-E160 PolarHBondContact OH-OE1 3.1Å; E160-R183 PolarHBondContact N-O 3.41Å; E160-N184 HydrophobicContact CG-CB 3.88Å; E160-S185 PolarHBondContact N-OG 2.82Å |
| 161 | I | 90.2 | Very high | 87.8 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | trans | -86.8 | 141.4 | 178.8 | -55.4 | -162.4 | 0 | 0 | 0 | 110.2 | L135 L140 M158 D159 L163 S185 | L135-I161 HydrophobicContact CB-CD1 4.15Å; L135-I161 WeakPolarHBondContact O-CD1 3.33Å; L140-I161 HydrophobicContact CB-CG2 3.73Å; L140-I161 HydrophobicContact CD1-CD1 3.72Å; L140-I161 HydrophobicContact CD1-CG2 4.26Å; L140-I161 HydrophobicContact CG-CD1 4.29Å; L140-I161 HydrophobicContact CG-CG2 4.22Å; M158-I161 HydrophobicContact CB-CD1 3.65Å; M158-I161 HydrophobicContact CB-CG1 4.29Å; M158-I161 HydrophobicContact CG-CD1 3.85Å; D159-I161 WeakPolarHBondContact O-CG1 3.24Å; D159-I161 PolarHBondContact O-N 2.85Å; D159-I161 VanDerWaalsContact O-N 3.1Å; I161-L163 HydrophobicContact CG2-CB 4.12Å; I161-S185 PolarHBondContact N-OG 2.83Å; I161-S185 WeakPolarHBondContact O-CA 3.4Å; I161-S185 VanDerWaalsContact O-CB 3.29Å; I161-S185 WeakPolarHBondContact O-CB 3.47Å | ||
| 162 | K | 82.4 | Confident | 87.7 | Confident | 166 Ų | 166 | 44 Ų | 44 | 72% | 0.722 | 23% | 0.226 | S | C | * | . | trans | -106.2 | 41.5 | -177.7 | -62 | 179.5 | -177.4 | 172.8 | 0 | 112.7 | ||||
| 163 | L | 81.2 | Confident | 87.5 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | trans | -69.7 | 127.2 | -177.3 | -165 | 76.1 | 0 | 0 | 0 | 110.1 | L140 I141 I143 I161 S165 F166 | L140-L163 HydrophobicContact CB-CD1 4.22Å; I141-L163 WeakPolarHBondContact O-CD1 3.26Å; I143-L163 HydrophobicContact CD1-CD1 4.45Å; I143-L163 HydrophobicContact CD1-CD2 3.92Å; I143-L163 HydrophobicContact CG1-CD1 4.13Å; I143-L163 HydrophobicContact CG1-CD2 4.28Å; I161-L163 HydrophobicContact CG2-CB 4.12Å; L163-S165 WeakPolarHBondContact CD2-O 3.31Å; L163-S165 WeakPolarHBondContact CG-O 3.31Å; L163-F166 HydrophobicContact CD2-CD1 3.62Å; L163-F166 HydrophobicContact CD2-CD2 3.98Å; L163-F166 HydrophobicContact CD2-CE1 3.47Å; L163-F166 VanDerWaalsContact CD2-CE1 3.47Å; L163-F166 HydrophobicContact CD2-CE2 3.86Å; L163-F166 HydrophobicContact CD2-CG 3.88Å; L163-F166 HydrophobicContact CD2-CZ 3.61Å | ||
| 164 | P | 69.8 | Low | 87.5 | Confident | 100 Ų | 100 | 40.4 Ų | 40.4 | 65% | 0.649 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -73.3 | -34.9 | -176.9 | 28 | -34 | 0 | 0 | 0 | 113 | I141 | I141-P164 WeakPolarHBondContact O-CD 3.38Š|
| 165 | S | 78.5 | Confident | 87 | Confident | 75 Ų | 75 | 44.8 Ų | 44.8 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | trans | -161 | 156.8 | -179.9 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | L163 | L163-S165 WeakPolarHBondContact CD2-O 3.31Å; L163-S165 WeakPolarHBondContact CG-O 3.31Å | ||
| 166 | F | 83.1 | Confident | 86.7 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | trans | -101.8 | 137 | 169.5 | -67 | -96.3 | 0 | 0 | 0 | 109.2 | I143 M158 L163 T170 F171 M182 P191 | I143-F166 HydrophobicContact CD1-CE1 4.33Å; M158-F166 HydrophobicContact CE-CE1 4.02Å; M158-F166 HydrophobicContact CE-CZ 4.26Å; L163-F166 HydrophobicContact CD2-CD1 3.62Å; L163-F166 HydrophobicContact CD2-CD2 3.98Å; L163-F166 HydrophobicContact CD2-CE1 3.47Å; L163-F166 VanDerWaalsContact CD2-CE1 3.47Å; L163-F166 HydrophobicContact CD2-CE2 3.86Å; L163-F166 HydrophobicContact CD2-CG 3.88Å; L163-F166 HydrophobicContact CD2-CZ 3.61Å; F166-T170 HydrophobicContact CD1-CG2 4.35Å; F166-F171 AromaticContact CD1-CE2 4Å; F166-F171 HydrophobicContact CD1-CE2 4Å; F166-F171 AromaticContact CD1-CZ 3.99Å; F166-F171 HydrophobicContact CD1-CZ 3.99Å; F166-F171 HydrophobicContact CE1-CE2 4.38Å; F166-F171 AromaticContact CE1-CZ 3.97Å; F166-F171 HydrophobicContact CE1-CZ 3.97Å; F166-M182 HydrophobicContact CE2-SD 4.32Å; F166-M182 HydrophobicContact CZ-SD 3.76Å; F166-P191 HydrophobicContact CB-CB 3.98Å; F166-P191 HydrophobicContact CB-CG 4.1Å; F166-P191 HydrophobicContact CD2-CB 4.21Å; F166-P191 HydrophobicContact CD2-CG 3.63Å; F166-P191 HydrophobicContact CE2-CG 4.3Å; F166-P191 HydrophobicContact CG-CB 4.43Å; F166-P191 HydrophobicContact CG-CG 4.02Å | ||
| 167 | H | 83.7 | Confident | 86.5 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 40% | 0.398 | 26% | 0.263 | S | S | . | . | trans | -72.4 | 149 | 171.7 | -69.9 | -105.9 | 0 | 0 | 0 | 110.3 | D145 N169 T170 S194 | D145-H167 WeakPolarHBondContact OD1-CB 3.34Å; H167-N169 PolarHBondContact O-N 2.98Å; H167-N169 VanDerWaalsContact O-N 3.14Å; H167-T170 WeakPolarHBondContact CA-OG1 3.27Å; H167-T170 PolarHBondContact N-OG1 2.79Å; H167-T170 WeakPolarHBondContact O-CB 3.24Å; H167-T170 PolarHBondContact O-N 3.03Å; H167-T170 PolarHBondContact O-OG1 2.84Å; H167-S194 PolarHBondContact O-OG 3.32Å | ||
| 168 | E | 83.4 | Confident | 86.3 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -37.7 | -176 | -57.9 | -168.8 | -177.4 | 0 | 0 | 111.9 | K193 | E168-K193 HydrophobicContact CG-CD 3.9Å; E168-K193 WeakPolarHBondContact OE1-CD 3.44Å; E168-K193 IonicContact OE1-NZ 2.71Å; E168-K193 PolarHBondContact OE1-NZ 3.08Å; E168-K193 VanDerWaalsContact OE2-CD 3.25Å; E168-K193 WeakPolarHBondContact OE2-CD 3.29Å; E168-K193 IonicContact OE2-NZ 3.13Å; E168-K193 PolarHBondContact OE2-NZ 3.48Å |
| 169 | N | 88.1 | Confident | 86.3 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 14.1 | -177.5 | -57.5 | -60.7 | 0 | 0 | 0 | 114.9 | D145 Y146 H167 F171 N172 | D145-N169 HydrophobicContact CB-CB 3.96Å; Y146-N169 HydrophobicContact CE2-CB 4.24Å; Y146-N169 PolarHBondContact N-O 2.77Å; H167-N169 PolarHBondContact O-N 2.98Å; H167-N169 VanDerWaalsContact O-N 3.14Å; N169-F171 VanDerWaalsContact C-N 3.25Å; N169-F171 PolarHBondContact O-N 2.83Å; N169-N172 WeakPolarHBondContact CA-OD1 3.48Å; N169-N172 HydrophobicContact CB-CB 4.43Å; N169-N172 VanDerWaalsContact CB-ND2 3.35Å; N169-N172 WeakPolarHBondContact CB-ND2 3.47Å; N169-N172 WeakPolarHBondContact O-CB 3.44Å; N169-N172 PolarHBondContact O-N 3.39Å; N169-N172 PolarHBondContact O-OD1 2.03Å; N169-N172 PolarHBondContact OD1-ND2 3.35Å |
| 170 | T | 88.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -43.1 | -177 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | I143 F148 F166 H167 | I143-T170 HydrophobicContact CB-CG2 4.06Å; I143-T170 HydrophobicContact CG2-CG2 3.53Å; F148-T170 HydrophobicContact CD2-CG2 4.27Å; F148-T170 HydrophobicContact CE2-CG2 3.97Å; F166-T170 HydrophobicContact CD1-CG2 4.35Å; H167-T170 WeakPolarHBondContact CA-OG1 3.27Å; H167-T170 PolarHBondContact N-OG1 2.79Å; H167-T170 WeakPolarHBondContact O-CB 3.24Å; H167-T170 PolarHBondContact O-N 3.03Å; H167-T170 PolarHBondContact O-OG1 2.84Å |
| 171 | F | 89.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 5 | -174 | -62.8 | -65.8 | 0 | 0 | 0 | 113.8 | F148 L156 M158 F166 N169 G173 L174 L198 | F148-F171 AromaticContact CD2-CD1 3.65Å; F148-F171 HydrophobicContact CD2-CD1 3.65Å; F148-F171 AromaticContact CD2-CE1 3.81Å; F148-F171 HydrophobicContact CD2-CE1 3.81Å; F148-F171 AromaticContact CE2-CD1 3.98Å; F148-F171 HydrophobicContact CE2-CD1 3.98Å; F148-F171 AromaticContact CE2-CE1 3.64Å; F148-F171 HydrophobicContact CE2-CE1 3.64Å; L156-F171 HydrophobicContact CD2-CE1 3.94Å; M158-F171 HydrophobicContact CE-CZ 4.35Å; F166-F171 AromaticContact CD1-CE2 4Å; F166-F171 HydrophobicContact CD1-CE2 4Å; F166-F171 AromaticContact CD1-CZ 3.99Å; F166-F171 HydrophobicContact CD1-CZ 3.99Å; F166-F171 HydrophobicContact CE1-CE2 4.38Å; F166-F171 AromaticContact CE1-CZ 3.97Å; F166-F171 HydrophobicContact CE1-CZ 3.97Å; N169-F171 VanDerWaalsContact C-N 3.25Å; N169-F171 PolarHBondContact O-N 2.83Å; F171-G173 PolarHBondContact O-N 2.89Å; F171-L174 HydrophobicContact CB-CD1 4.07Å; F171-L174 HydrophobicContact CD1-CD1 3.86Å; F171-L174 HydrophobicContact CG-CD1 4.4Å; F171-L174 WeakPolarHBondContact O-CB 3.41Å; F171-L174 PolarHBondContact O-N 2.94Å; F171-L198 HydrophobicContact CB-CD1 4.43Å; F171-L198 HydrophobicContact CB-CD2 3.67Å; F171-L198 HydrophobicContact CB-CG 3.96Å; F171-L198 HydrophobicContact CD1-CD1 4.16Å; F171-L198 HydrophobicContact CD1-CD2 4.19Å; F171-L198 HydrophobicContact CD2-CD1 3.66Å; F171-L198 HydrophobicContact CD2-CD2 4.46Å; F171-L198 HydrophobicContact CD2-CG 4Å; F171-L198 HydrophobicContact CE1-CD1 4.37Å; F171-L198 HydrophobicContact CE2-CD1 3.89Å; F171-L198 HydrophobicContact CG-CD1 3.81Å; F171-L198 HydrophobicContact CG-CD2 3.86Å; F171-L198 HydrophobicContact CG-CG 3.9Å; F171-L198 HydrophobicContact CZ-CD1 4.24Å |
| 172 | N | 88 | Confident | 86.6 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 134.9 | 178.3 | -68.1 | 19.7 | 0 | 0 | 0 | 111.2 | Y146 N169 Q197 | Y146-N172 HydrophobicContact CD1-CB 3.38Å; Y146-N172 HydrophobicContact CD2-CB 4.25Å; Y146-N172 HydrophobicContact CE1-CB 3.27Å; Y146-N172 HydrophobicContact CE2-CB 4.13Å; Y146-N172 HydrophobicContact CG-CB 3.87Å; Y146-N172 PolarHBondContact OH-ND2 2.83Å; Y146-N172 VanDerWaalsContact OH-ND2 3.15Å; N169-N172 WeakPolarHBondContact CA-OD1 3.48Å; N169-N172 HydrophobicContact CB-CB 4.43Å; N169-N172 VanDerWaalsContact CB-ND2 3.35Å; N169-N172 WeakPolarHBondContact CB-ND2 3.47Å; N169-N172 WeakPolarHBondContact O-CB 3.44Å; N169-N172 PolarHBondContact O-N 3.39Å; N169-N172 PolarHBondContact O-OD1 2.03Å; N169-N172 PolarHBondContact OD1-ND2 3.35Å; N172-Q197 VanDerWaalsContact OD1-CD 3.26Å; N172-Q197 PolarHBondContact OD1-NE2 2.85Å; N172-Q197 PolarHBondContact OD1-OE1 2.78Å |
| 173 | G | 83.1 | Confident | 87.2 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 33% | 0.33 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | 3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N149 G150 F171 T175 | N149-G173 WeakPolarHBondContact OD1-CA 3.2Å; G150-G173 PolarHBondContact N-O 3.39Å; G150-G173 VanDerWaalsContact N-O 3.16Å; F171-G173 PolarHBondContact O-N 2.89Å; G173-T175 PolarHBondContact O-N 3.03Å |
| 174 | L | 86.9 | Confident | 87.8 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | trans | -77.7 | 111.4 | 164.9 | -76.6 | 175.7 | 0 | 0 | 0 | 110.8 | F148 L151 L154 F171 M177 L198 S202 | F148-L174 HydrophobicContact CB-CD1 4.05Å; F148-L174 HydrophobicContact CB-CD2 3.98Å; F148-L174 HydrophobicContact CB-CG 3.94Å; F148-L174 WeakPolarHBondContact O-CD2 3.29Å; L151-L174 HydrophobicContact CB-CD2 3.61Å; L154-L174 HydrophobicContact CD2-CD2 4.08Å; F171-L174 HydrophobicContact CB-CD1 4.07Å; F171-L174 HydrophobicContact CD1-CD1 3.86Å; F171-L174 HydrophobicContact CG-CD1 4.4Å; F171-L174 WeakPolarHBondContact O-CB 3.41Å; F171-L174 PolarHBondContact O-N 2.94Å; L174-M177 HydrophobicContact CD1-SD 4.36Å; L174-L198 HydrophobicContact CD1-CD2 3.85Å; L174-S202 WeakPolarHBondContact CB-OG 3.46Å; L174-S202 PolarHBondContact O-OG 3.14Å | ||
| 175 | T | 83 | Confident | 88.8 | Confident | 93 Ų | 93 | 46.9 Ų | 46.9 | 57% | 0.571 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -72.1 | -37.2 | 178.5 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | L151 D152 G173 | L151-T175 PolarHBondContact O-OG1 2.89Å; D152-T175 WeakPolarHBondContact CB-OG1 3.16Å; D152-T175 PolarHBondContact OD1-OG1 3.01Å; G173-T175 PolarHBondContact O-N 3.03Å |
| 176 | R | 88.8 | Confident | 89.3 | Confident | 134 Ų | 134 | 47.7 Ų | 47.7 | 51% | 0.506 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 129.2 | 179.7 | -170 | 166.7 | 172.6 | -160.9 | 1.4 | 110.9 | D152 Q153 L154 S202 | D152-R176 WeakPolarHBondContact OD1-CB 3.24Å; Q153-R176 VanDerWaalsContact CA-O 3.25Å; Q153-R176 WeakPolarHBondContact CA-O 3.36Å; Q153-R176 HydrophobicContact CG-CB 4.26Å; Q153-R176 HydrophobicContact CG-CG 4.1Å; Q153-R176 PolarHBondContact N-O 2.99Å; L154-R176 PolarHBondContact N-O 2.8Å; R176-S202 CarbonylContact C-O 3.53Å; R176-S202 VanDerWaalsContact CA-O 3.28Å; R176-S202 WeakPolarHBondContact CA-O 3.43Å |
| 177 | M | 91.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.6 | 175.1 | -163 | 173.3 | -165.8 | 0 | 0 | 109.7 | L154 L156 L174 L180 L198 S202 L204 G205 | L154-M177 WeakPolarHBondContact O-CG 3.5Å; L156-M177 HydrophobicContact CB-CE 3.42Å; L156-M177 VanDerWaalsContact CB-CE 3.42Å; L156-M177 HydrophobicContact CD2-CE 3.98Å; L156-M177 HydrophobicContact CG-CE 4.32Å; L174-M177 HydrophobicContact CD1-SD 4.36Å; M177-L180 HydrophobicContact CE-CB 3.72Å; M177-L180 HydrophobicContact CE-CD1 3.97Å; M177-L180 HydrophobicContact CE-CG 4.33Å; M177-L180 HydrophobicContact SD-CB 4.26Å; M177-L198 HydrophobicContact CB-CD2 4.48Å; M177-L198 HydrophobicContact SD-CD1 3.94Å; M177-L198 HydrophobicContact SD-CD2 3.49Å; M177-L198 WeakPolarHBondContact SD-CD2 3.41Å; M177-L198 HydrophobicContact SD-CG 4.28Å; M177-S202 PolarHBondContact N-O 2.75Å; M177-L204 HydrophobicContact CB-CD1 4.12Å; M177-L204 HydrophobicContact CG-CD1 3.79Å; M177-L204 WeakPolarHBondContact O-CA 3.46Å; M177-L204 HydrophobicContact SD-CD1 3.84Å; M177-G205 PolarHBondContact O-N 3.24Å |
| 178 | K | 92.1 | Very high | 89.8 | Confident | 131 Ų | 131 | 53 Ų | 53 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -57.7 | 177.9 | -174.7 | -175.4 | 173.4 | -172.1 | 0 | 110.7 | L154 G205 Q206 | L154-K178 PolarHBondContact O-N 3.17Å; K178-G205 WeakPolarHBondContact O-CA 3.47Å; K178-G205 PolarHBondContact O-N 2.83Å; K178-G205 VanDerWaalsContact O-N 3.17Å; K178-Q206 PolarHBondContact O-N 2.88Å |
| 179 | S | 94.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 137.6 | -176.4 | -44.8 | 0 | 0 | 0 | 0 | 111.1 | L154 T155 L156 Q206 | L154-S179 PolarHBondContact O-N 3.38Å; T155-S179 WeakPolarHBondContact CA-O 3.35Å; L156-S179 PolarHBondContact N-O 2.86Å; S179-Q206 CarbonylContact C-O 3.53Å; S179-Q206 VanDerWaalsContact CA-O 3.27Å; S179-Q206 WeakPolarHBondContact CA-O 3.31Å; S179-Q206 PolarHBondContact OG-OE1 3.22Å |
| 180 | L | 94.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.4 | 167.3 | 174 | 56.1 | 0 | 0 | 0 | 108.2 | L156 M158 M177 M182 L195 L198 L204 Q206 L207 I208 | L156-L180 HydrophobicContact CB-CD1 4.43Å; L156-L180 HydrophobicContact CD2-CD1 4.25Å; L156-L180 HydrophobicContact CG-CD1 4.39Å; M158-L180 HydrophobicContact CE-CD1 3.62Å; M177-L180 HydrophobicContact CE-CB 3.72Å; M177-L180 HydrophobicContact CE-CD1 3.97Å; M177-L180 HydrophobicContact CE-CG 4.33Å; M177-L180 HydrophobicContact SD-CB 4.26Å; L180-M182 HydrophobicContact CD1-CE 4.48Å; L180-M182 HydrophobicContact CD1-CG 3.9Å; L180-M182 HydrophobicContact CD1-SD 4.09Å; L180-M182 HydrophobicContact CD2-CE 3.89Å; L180-M182 HydrophobicContact CD2-SD 4.39Å; L180-M182 HydrophobicContact CG-CE 4.13Å; L180-M182 HydrophobicContact CG-CG 4.29Å; L180-M182 HydrophobicContact CG-SD 4.38Å; L180-L195 HydrophobicContact CD2-CD2 3.86Å; L180-L198 HydrophobicContact CD2-CD1 3.93Å; L180-L204 HydrophobicContact CB-CD1 4.02Å; L180-L204 HydrophobicContact CB-CD2 4.21Å; L180-Q206 PolarHBondContact N-O 2.88Å; L180-L207 HydrophobicContact CB-CD1 4Å; L180-L207 HydrophobicContact CD2-CD1 3.9Å; L180-L207 HydrophobicContact CG-CD1 3.93Å; L180-L207 WeakPolarHBondContact O-CA 3.49Å; L180-I208 PolarHBondContact O-N 3.2Å |
| 181 | I | 95.3 | Very high | 89.8 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 117.8 | -174.9 | -52.7 | -175.9 | 0 | 0 | 0 | 107.7 | T155 L156 I157 M158 D159 R183 I208 | T155-I181 HydrophobicContact CG2-CD1 4.25Å; L156-I181 PolarHBondContact O-N 2.86Å; I157-I181 HydrophobicContact CG1-CB 4.41Å; I157-I181 HydrophobicContact CG1-CD1 4.24Å; I157-I181 HydrophobicContact CG2-CB 4.39Å; I157-I181 HydrophobicContact CG2-CG2 4.27Å; M158-I181 PolarHBondContact N-O 3.02Å; D159-I181 WeakPolarHBondContact OD1-CG2 3.45Å; I181-R183 HydrophobicContact CG2-CG 3.94Å; I181-I208 HydrophobicContact CB-CB 4.35Å; I181-I208 HydrophobicContact CD1-CD1 3.95Å; I181-I208 HydrophobicContact CG1-CB 4.22Å; I181-I208 HydrophobicContact CG1-CD1 3.99Å; I181-I208 HydrophobicContact CG1-CG1 4.26Å; I181-I208 HydrophobicContact CG2-CB 4.03Å; I181-I208 HydrophobicContact CG2-CD1 4.43Å; I181-I208 HydrophobicContact CG2-CG2 4.11Å |
| 182 | M | 93.7 | Very high | 89.8 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | trans | -137.7 | 74.2 | -179 | -63.3 | -175.6 | -62.1 | 0 | 0 | 109.1 | M158 F166 L180 L187 I208 L209 N212 | M158-M182 HydrophobicContact CB-CG 4.1Å; M158-M182 HydrophobicContact CE-CG 4.12Å; M158-M182 HydrophobicContact CE-SD 3.9Å; F166-M182 HydrophobicContact CE2-SD 4.32Å; F166-M182 HydrophobicContact CZ-SD 3.76Å; L180-M182 HydrophobicContact CD1-CE 4.48Å; L180-M182 HydrophobicContact CD1-CG 3.9Å; L180-M182 HydrophobicContact CD1-SD 4.09Å; L180-M182 HydrophobicContact CD2-CE 3.89Å; L180-M182 HydrophobicContact CD2-SD 4.39Å; L180-M182 HydrophobicContact CG-CE 4.13Å; L180-M182 HydrophobicContact CG-CG 4.29Å; L180-M182 HydrophobicContact CG-SD 4.38Å; M182-L187 HydrophobicContact CB-CD1 4.08Å; M182-L187 HydrophobicContact CE-CD1 3.88Å; M182-L187 HydrophobicContact SD-CD1 4.18Å; M182-I208 PolarHBondContact N-O 3.17Å; M182-L209 HydrophobicContact CB-CD2 4.34Å; M182-L209 HydrophobicContact CE-CD2 3.62Å; M182-N212 PolarHBondContact O-ND2 2.91Å | ||
| 183 | R | 94.2 | Very high | 89.9 | Confident | 92 Ų | 92 | 59.9 Ų | 59.9 | 35% | 0.347 | 28% | 0.281 | S | S | . | . | trans | -91.1 | 142.2 | -177.5 | -58.2 | 173.9 | -74.3 | -165.2 | 1.4 | 111 | D159 E160 I181 S185 I208 K210 | D159-R183 CarbonylContact C-O 3.51Å; D159-R183 VanDerWaalsContact CA-O 3.24Å; D159-R183 WeakPolarHBondContact CA-O 3.15Å; D159-R183 HydrophobicContact CB-CB 4.32Å; D159-R183 VanDerWaalsContact CG-NE 3.35Å; D159-R183 VanDerWaalsContact OD1-CB 3.24Å; D159-R183 WeakPolarHBondContact OD1-CB 2.76Å; D159-R183 WeakPolarHBondContact OD1-CG 3.16Å; D159-R183 PolarHBondContact OD1-N 3.17Å; D159-R183 IonicContact OD1-NE 3.04Å; D159-R183 PolarHBondContact OD1-NE 2.82Å; D159-R183 IonicContact OD2-CZ 3.79Å; D159-R183 IonicContact OD2-NE 3.39Å; D159-R183 PolarHBondContact OD2-NE 3.38Å; D159-R183 IonicContact OD2-NH2 2.65Å; D159-R183 PolarHBondContact OD2-NH2 3.43Å; E160-R183 PolarHBondContact N-O 3.41Å; I181-R183 HydrophobicContact CG2-CG 3.94Å; R183-S185 PolarHBondContact O-N 3.06Å; R183-S185 PolarHBondContact O-OG 2.97Å; R183-I208 HydrophobicContact CG-CG2 3.74Å; R183-K210 WeakPolarHBondContact CA-O 3.5Å; R183-K210 HydrophobicContact CG-CB 4.21Å | ||
| 184 | N | 93.3 | Very high | 90.1 | Very high | 80 Ų | 80 | 58.5 Ų | 58.5 | 43% | 0.428 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 55.9 | 19.3 | 177.2 | -57.3 | -17.7 | 0 | 0 | 0 | 115.1 | E160 N186 K210 G211 | E160-N184 HydrophobicContact CG-CB 3.88Å; N184-N186 PolarHBondContact O-N 3.33Å; N184-N186 PolarHBondContact O-ND2 2.8Å; N184-K210 PolarHBondContact N-O 3.14Å; N184-K210 VanDerWaalsContact N-O 3.07Å; N184-G211 WeakPolarHBondContact CA-O 3.34Å; N184-G211 WeakPolarHBondContact OD1-CA 3.2Å |
| 185 | S | 91.5 | Very high | 90.3 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -84.3 | 15.5 | -176.8 | -56.6 | 0 | 0 | 0 | 0 | 113.4 | M158 E160 I161 R183 L187 N212 | M158-S185 PolarHBondContact O-OG 3.15Å; E160-S185 PolarHBondContact N-OG 2.82Å; I161-S185 PolarHBondContact N-OG 2.83Å; I161-S185 WeakPolarHBondContact O-CA 3.4Å; I161-S185 VanDerWaalsContact O-CB 3.29Å; I161-S185 WeakPolarHBondContact O-CB 3.47Å; R183-S185 PolarHBondContact O-N 3.06Å; R183-S185 PolarHBondContact O-OG 2.97Å; S185-L187 PolarHBondContact O-N 3.35Å; S185-N212 WeakPolarHBondContact CA-OD1 3.43Å; S185-N212 PolarHBondContact N-OD1 2.92Å; S185-N212 VanDerWaalsContact N-OD1 3.11Å |
| 186 | N | 89.3 | Confident | 90.6 | Very high | 92 Ų | 92 | 57.4 Ų | 57.4 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | trans | 53.3 | 23 | 177.8 | -63.6 | -75.9 | 0 | 0 | 0 | 115.5 | N184 R188 N212 | N184-N186 PolarHBondContact O-N 3.33Å; N184-N186 PolarHBondContact O-ND2 2.8Å; N186-R188 PolarHBondContact O-N 2.91Å; N186-N212 PolarHBondContact N-OD1 2.93Å; N186-N212 VanDerWaalsContact N-OD1 3.15Å | ||
| 187 | L | 88.7 | Confident | 90.5 | Very high | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | trans | -62 | 127.2 | -176.8 | -60.2 | 173.8 | 0 | 0 | 0 | 110.7 | M182 S185 L190 L209 N212 Q213 L214 | M182-L187 HydrophobicContact CB-CD1 4.08Å; M182-L187 HydrophobicContact CE-CD1 3.88Å; M182-L187 HydrophobicContact SD-CD1 4.18Å; S185-L187 PolarHBondContact O-N 3.35Å; L187-L190 HydrophobicContact CD1-CD2 4.3Å; L187-L209 HydrophobicContact CD1-CD2 4.27Å; L187-N212 HydrophobicContact CB-CB 4.12Å; L187-N212 WeakPolarHBondContact CG-OD1 3.3Å; L187-N212 PolarHBondContact N-OD1 3.49Å; L187-Q213 CarbonylContact O-C 3.11Å; L187-Q213 VanDerWaalsContact O-CA 3.3Å; L187-Q213 WeakPolarHBondContact O-CA 3.47Å; L187-Q213 PolarHBondContact O-N 2.89Å; L187-L214 HydrophobicContact CB-CD2 4.4Å; L187-L214 PolarHBondContact O-N 3.35Å | ||
| 188 | R | 88.1 | Confident | 90.4 | Very high | 212 Ų | 212 | 52.9 Ų | 52.9 | 80% | 0.8 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -100.2 | -29.4 | 175.7 | -65.3 | -177.8 | -179.1 | -176.9 | 0.9 | 112.9 | N186 Q213 | N186-R188 PolarHBondContact O-N 2.91Å; R188-Q213 HydrophobicContact CG-CB 4.05Å |
| 189 | E | 86.1 | Confident | 90.2 | Very high | 143 Ų | 143 | 47 Ų | 47 | 67% | 0.668 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -135.6 | 156.9 | 176.9 | -176.3 | 172.4 | -170.3 | 0 | 0 | 108.6 | ||
| 190 | L | 87.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | trans | -107.6 | 135.5 | 177.2 | -65.2 | -179.4 | 0 | 0 | 0 | 110.8 | L187 Y192 L195 L209 L214 L217 Y221 | L187-L190 HydrophobicContact CD1-CD2 4.3Å; L190-Y192 PolarHBondContact O-N 3.23Å; L190-L195 HydrophobicContact CB-CD1 3.79Å; L190-L195 HydrophobicContact CD1-CD1 4.27Å; L190-L195 HydrophobicContact CG-CD1 4.46Å; L190-L209 HydrophobicContact CD1-CD1 3.64Å; L190-L209 HydrophobicContact CD2-CD1 3.92Å; L190-L209 HydrophobicContact CD2-CD2 3.93Å; L190-L209 HydrophobicContact CG-CD1 4.43Å; L190-L214 HydrophobicContact CD1-CD1 4.33Å; L190-L214 HydrophobicContact CD2-CD1 4.2Å; L190-L214 HydrophobicContact CD2-CD2 4.09Å; L190-L214 HydrophobicContact CG-CD1 4.31Å; L190-L214 HydrophobicContact CG-CD2 4.02Å; L190-L217 HydrophobicContact CD1-CD1 4.04Å; L190-L217 HydrophobicContact CD1-CD2 3.72Å; L190-L217 HydrophobicContact CG-CD2 4.07Å; L190-Y221 HydrophobicContact CB-CE1 3.82Å; L190-Y221 PolarHBondContact O-OH 2.79Å | ||
| 191 | P | 87 | Confident | 89.3 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | trans | -70.5 | 94.9 | -178.3 | 31.6 | -37.6 | 0 | 0 | 0 | 110.8 | F166 K193 S194 L195 | F166-P191 HydrophobicContact CB-CB 3.98Å; F166-P191 HydrophobicContact CB-CG 4.1Å; F166-P191 HydrophobicContact CD2-CB 4.21Å; F166-P191 HydrophobicContact CD2-CG 3.63Å; F166-P191 HydrophobicContact CE2-CG 4.3Å; F166-P191 HydrophobicContact CG-CB 4.43Å; F166-P191 HydrophobicContact CG-CG 4.02Å; P191-K193 PolarHBondContact O-N 2.02Å; P191-S194 PolarHBondContact O-N 3.35Å; P191-L195 HydrophobicContact CG-CG 4.4Å; P191-L195 PolarHBondContact O-N 3.29Å | ||
| 192 | Y | 89.2 | Confident | 88.8 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.7 | -57.8 | -172.1 | 175.3 | -91.5 | 0 | 0 | 0 | 112.6 | L190 S194 L195 E196 K220 Y221 I224 | L190-Y192 PolarHBondContact O-N 3.23Å; Y192-S194 PolarHBondContact O-N 2.74Å; Y192-L195 PolarHBondContact O-N 2.02Å; Y192-E196 HydrophobicContact CE1-CB 4.25Å; Y192-E196 VanDerWaalsContact CE1-CD 3.46Å; Y192-E196 HydrophobicContact CE1-CG 4.42Å; Y192-E196 WeakPolarHBondContact CE1-OE1 3.46Å; Y192-E196 VanDerWaalsContact CE1-OE2 3.32Å; Y192-E196 WeakPolarHBondContact CE1-OE2 3.12Å; Y192-E196 VanDerWaalsContact O-CB 3.32Å; Y192-E196 WeakPolarHBondContact O-CB 3.4Å; Y192-E196 PolarHBondContact O-N 3.26Å; Y192-E196 PolarHBondContact OH-OE1 3.41Å; Y192-K220 HydrophobicContact CD2-CB 4.44Å; Y192-K220 HydrophobicContact CD2-CD 4.06Å; Y192-K220 HydrophobicContact CD2-CG 3.89Å; Y192-K220 HydrophobicContact CE2-CB 4Å; Y192-K220 HydrophobicContact CE2-CD 4.39Å; Y192-K220 HydrophobicContact CE2-CG 3.97Å; Y192-K220 WeakPolarHBondContact CE2-O 3.5Å; Y192-Y221 HydrophobicContact CD2-CD1 4.02Å; Y192-Y221 AromaticContact CD2-CE1 3.98Å; Y192-Y221 HydrophobicContact CD2-CE1 3.98Å; Y192-Y221 HydrophobicContact CD2-CG 4.48Å; Y192-I224 HydrophobicContact CD2-CD1 3.73Å; Y192-I224 HydrophobicContact CE2-CD1 3.76Å; Y192-I224 HydrophobicContact CE2-CG1 4.48Å |
| 193 | K | 88.6 | Confident | 88.5 | Confident | 105 Ų | 105 | 63.4 Ų | 63.4 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | -176.5 | -67.9 | -179.5 | 171 | -175.3 | 0 | 112.8 | E168 P191 L195 E196 Q197 | E168-K193 HydrophobicContact CG-CD 3.9Å; E168-K193 WeakPolarHBondContact OE1-CD 3.44Å; E168-K193 IonicContact OE1-NZ 2.71Å; E168-K193 PolarHBondContact OE1-NZ 3.08Å; E168-K193 VanDerWaalsContact OE2-CD 3.25Å; E168-K193 WeakPolarHBondContact OE2-CD 3.29Å; E168-K193 IonicContact OE2-NZ 3.13Å; E168-K193 PolarHBondContact OE2-NZ 3.48Å; P191-K193 PolarHBondContact O-N 2.02Å; K193-L195 PolarHBondContact O-N 3.37Å; K193-E196 PolarHBondContact O-N 2.98Å; K193-Q197 WeakPolarHBondContact O-CB 3.32Å; K193-Q197 PolarHBondContact O-N 2.63Å |
| 194 | S | 88.7 | Confident | 88.4 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -37 | -180 | -52.1 | 0 | 0 | 0 | 0 | 112 | H167 P191 Y192 L198 | H167-S194 PolarHBondContact O-OG 3.32Å; P191-S194 PolarHBondContact O-N 3.35Å; Y192-S194 PolarHBondContact O-N 2.74Å; S194-L198 WeakPolarHBondContact O-CG 3.42Å; S194-L198 PolarHBondContact O-N 2.97Å |
| 195 | L | 89.5 | Confident | 88.3 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.9 | -40.7 | 175.5 | -73.3 | 171.7 | 0 | 0 | 0 | 112.6 | L180 L190 P191 Y192 K193 Q197 L198 T199 L207 I224 | L180-L195 HydrophobicContact CD2-CD2 3.86Å; L190-L195 HydrophobicContact CB-CD1 3.79Å; L190-L195 HydrophobicContact CD1-CD1 4.27Å; L190-L195 HydrophobicContact CG-CD1 4.46Å; P191-L195 HydrophobicContact CG-CG 4.4Å; P191-L195 PolarHBondContact O-N 3.29Å; Y192-L195 PolarHBondContact O-N 2.02Å; K193-L195 PolarHBondContact O-N 3.37Å; L195-Q197 VanDerWaalsContact C-N 3.26Å; L195-Q197 PolarHBondContact O-N 3.09Å; L195-L198 HydrophobicContact CD2-CD1 4.37Å; L195-L198 WeakPolarHBondContact O-CB 3.45Å; L195-L198 PolarHBondContact O-N 2.64Å; L195-L198 VanDerWaalsContact O-N 3.07Å; L195-T199 PolarHBondContact O-N 2.97Å; L195-T199 PolarHBondContact O-OG1 3.36Å; L195-T199 VanDerWaalsContact O-OG1 3.11Å; L195-L207 HydrophobicContact CD2-CD1 4.38Å; L195-L207 HydrophobicContact CD2-CD2 4.49Å; L195-I224 HydrophobicContact CB-CD1 3.94Å; L195-I224 HydrophobicContact CB-CG2 4.15Å |
| 196 | E | 89.7 | Confident | 88.4 | Confident | 72 Ų | 72 | 57.7 Ų | 57.7 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.7 | -42.3 | 173.4 | 177.5 | 179.4 | -123.7 | 0 | 0 | 111.3 | Y192 K193 T199 S200 I224 | Y192-E196 HydrophobicContact CE1-CB 4.25Å; Y192-E196 VanDerWaalsContact CE1-CD 3.46Å; Y192-E196 HydrophobicContact CE1-CG 4.42Å; Y192-E196 WeakPolarHBondContact CE1-OE1 3.46Å; Y192-E196 VanDerWaalsContact CE1-OE2 3.32Å; Y192-E196 WeakPolarHBondContact CE1-OE2 3.12Å; Y192-E196 VanDerWaalsContact O-CB 3.32Å; Y192-E196 WeakPolarHBondContact O-CB 3.4Å; Y192-E196 PolarHBondContact O-N 3.26Å; Y192-E196 PolarHBondContact OH-OE1 3.41Å; K193-E196 PolarHBondContact O-N 2.98Å; E196-T199 PolarHBondContact O-OG1 3.04Å; E196-T199 VanDerWaalsContact O-OG1 3.11Å; E196-S200 VanDerWaalsContact O-CB 3.25Å; E196-S200 WeakPolarHBondContact O-CB 3.32Å; E196-S200 PolarHBondContact O-N 2.91Å; E196-S200 PolarHBondContact O-OG 3.47Å; E196-I224 HydrophobicContact CB-CD1 4.21Å; E196-I224 HydrophobicContact CB-CG1 4.27Å |
| 197 | Q | 86.4 | Confident | 88.6 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 172.3 | -170.5 | -167.1 | 25.8 | 0 | 0 | 112.4 | N172 K193 L195 T199 S200 V201 S202 | N172-Q197 VanDerWaalsContact OD1-CD 3.26Å; N172-Q197 PolarHBondContact OD1-NE2 2.85Å; N172-Q197 PolarHBondContact OD1-OE1 2.78Å; K193-Q197 WeakPolarHBondContact O-CB 3.32Å; K193-Q197 PolarHBondContact O-N 2.63Å; L195-Q197 VanDerWaalsContact C-N 3.26Å; L195-Q197 PolarHBondContact O-N 3.09Å; Q197-T199 VanDerWaalsContact C-N 3.29Å; Q197-T199 PolarHBondContact O-N 3.27Å; Q197-S200 PolarHBondContact O-N 3.28Å; Q197-S200 PolarHBondContact O-OG 2.95Å; Q197-V201 HydrophobicContact CG-CB 4.28Å; Q197-V201 HydrophobicContact CG-CG2 3.92Å; Q197-V201 WeakPolarHBondContact O-CA 3.33Å; Q197-V201 WeakPolarHBondContact O-CB 3.3Å; Q197-V201 PolarHBondContact O-N 3.33Å; Q197-S202 PolarHBondContact O-N 2.69Å |
| 198 | L | 89.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -35.4 | 179.8 | -79.9 | 176.9 | 0 | 0 | 0 | 112.7 | F171 L174 M177 L180 S194 L195 S202 R203 L204 | F171-L198 HydrophobicContact CB-CD1 4.43Å; F171-L198 HydrophobicContact CB-CD2 3.67Å; F171-L198 HydrophobicContact CB-CG 3.96Å; F171-L198 HydrophobicContact CD1-CD1 4.16Å; F171-L198 HydrophobicContact CD1-CD2 4.19Å; F171-L198 HydrophobicContact CD2-CD1 3.66Å; F171-L198 HydrophobicContact CD2-CD2 4.46Å; F171-L198 HydrophobicContact CD2-CG 4Å; F171-L198 HydrophobicContact CE1-CD1 4.37Å; F171-L198 HydrophobicContact CE2-CD1 3.89Å; F171-L198 HydrophobicContact CG-CD1 3.81Å; F171-L198 HydrophobicContact CG-CD2 3.86Å; F171-L198 HydrophobicContact CG-CG 3.9Å; F171-L198 HydrophobicContact CZ-CD1 4.24Å; L174-L198 HydrophobicContact CD1-CD2 3.85Å; M177-L198 HydrophobicContact CB-CD2 4.48Å; M177-L198 HydrophobicContact SD-CD1 3.94Å; M177-L198 HydrophobicContact SD-CD2 3.49Å; M177-L198 WeakPolarHBondContact SD-CD2 3.41Å; M177-L198 HydrophobicContact SD-CG 4.28Å; L180-L198 HydrophobicContact CD2-CD1 3.93Å; S194-L198 WeakPolarHBondContact O-CG 3.42Å; S194-L198 PolarHBondContact O-N 2.97Å; L195-L198 HydrophobicContact CD2-CD1 4.37Å; L195-L198 WeakPolarHBondContact O-CB 3.45Å; L195-L198 PolarHBondContact O-N 2.64Å; L195-L198 VanDerWaalsContact O-N 3.07Å; L198-S202 CarbonylContact O-C 3.49Å; L198-S202 VanDerWaalsContact O-C 3.26Å; L198-S202 WeakPolarHBondContact O-CA 3.37Å; L198-S202 WeakPolarHBondContact O-CB 3.49Å; L198-S202 PolarHBondContact O-N 2.92Å; L198-R203 PolarHBondContact O-N 2.87Å; L198-L204 HydrophobicContact CB-CB 4.32Å; L198-L204 HydrophobicContact CB-CD2 4.28Å; L198-L204 WeakPolarHBondContact O-CB 3.16Å; L198-L204 PolarHBondContact O-N 3.17Å |
| 199 | T | 88 | Confident | 89.2 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -77.1 | -47.3 | 174.2 | 46.6 | 0 | 0 | 0 | 0 | 112.4 | L195 E196 Q197 R203 L204 I224 E227 L228 | L195-T199 PolarHBondContact O-N 2.97Å; L195-T199 PolarHBondContact O-OG1 3.36Å; L195-T199 VanDerWaalsContact O-OG1 3.11Å; E196-T199 PolarHBondContact O-OG1 3.04Å; E196-T199 VanDerWaalsContact O-OG1 3.11Å; Q197-T199 VanDerWaalsContact C-N 3.29Å; Q197-T199 PolarHBondContact O-N 3.27Å; T199-R203 WeakPolarHBondContact O-CA 3.48Å; T199-R203 PolarHBondContact O-N 3.15Å; T199-L204 HydrophobicContact CG2-CB 4.2Å; T199-I224 HydrophobicContact CG2-CG2 3.69Å; T199-E227 HydrophobicContact CG2-CB 4.37Å; T199-L228 HydrophobicContact CG2-CD2 3.97Å; T199-L228 HydrophobicContact CG2-CG 4.43Å |
| 200 | S | 85.8 | Confident | 89.5 | Confident | 80 Ų | 80 | 38.7 Ų | 38.7 | 56% | 0.559 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -73.5 | -44.3 | -174.7 | 59.2 | 0 | 0 | 0 | 0 | 114 | E196 Q197 | E196-S200 VanDerWaalsContact O-CB 3.25Å; E196-S200 WeakPolarHBondContact O-CB 3.32Å; E196-S200 PolarHBondContact O-N 2.91Å; E196-S200 PolarHBondContact O-OG 3.47Å; Q197-S200 PolarHBondContact O-N 3.28Å; Q197-S200 PolarHBondContact O-OG 2.95Å |
| 201 | V | 85.1 | Confident | 89.7 | Confident | 90 Ų | 90 | 39.4 Ų | 39.4 | 55% | 0.545 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -57.1 | -177.2 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | Q197 R203 | Q197-V201 HydrophobicContact CG-CB 4.28Å; Q197-V201 HydrophobicContact CG-CG2 3.92Å; Q197-V201 WeakPolarHBondContact O-CA 3.33Å; Q197-V201 WeakPolarHBondContact O-CB 3.3Å; Q197-V201 PolarHBondContact O-N 3.33Å; V201-R203 VanDerWaalsContact C-N 3.33Å; V201-R203 PolarHBondContact O-N 2.65Å |
| 202 | S | 84.1 | Confident | 90.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1.3 | -172 | -48.3 | 0 | 0 | 0 | 0 | 114 | L174 R176 M177 Q197 L198 L204 | L174-S202 WeakPolarHBondContact CB-OG 3.46Å; L174-S202 PolarHBondContact O-OG 3.14Å; R176-S202 CarbonylContact C-O 3.53Å; R176-S202 VanDerWaalsContact CA-O 3.28Å; R176-S202 WeakPolarHBondContact CA-O 3.43Å; M177-S202 PolarHBondContact N-O 2.75Å; Q197-S202 PolarHBondContact O-N 2.69Å; L198-S202 CarbonylContact O-C 3.49Å; L198-S202 VanDerWaalsContact O-C 3.26Å; L198-S202 WeakPolarHBondContact O-CA 3.37Å; L198-S202 WeakPolarHBondContact O-CB 3.49Å; L198-S202 PolarHBondContact O-N 2.92Å; S202-L204 VanDerWaalsContact C-N 3.34Å; S202-L204 PolarHBondContact O-N 3.07Å |
| 203 | R | 88.6 | Confident | 90.2 | Very high | 199 Ų | 199 | 39.3 Ų | 39.3 | 75% | 0.751 | 20% | 0.195 | S | C | * | . | trans | 49.3 | 50.1 | 178.5 | -59.8 | -176.6 | 178.6 | -178.7 | -1.3 | 113.3 | L198 T199 V201 G205 | L198-R203 PolarHBondContact O-N 2.87Å; T199-R203 WeakPolarHBondContact O-CA 3.48Å; T199-R203 PolarHBondContact O-N 3.15Å; V201-R203 VanDerWaalsContact C-N 3.33Å; V201-R203 PolarHBondContact O-N 2.65Å; R203-G205 PolarHBondContact O-N 3.29Å | ||
| 204 | L | 92.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | trans | -50.1 | 118.3 | 177.5 | 178.2 | 60 | 0 | 0 | 0 | 111.3 | M177 L180 L198 T199 S202 Q206 L228 | M177-L204 HydrophobicContact CB-CD1 4.12Å; M177-L204 HydrophobicContact CG-CD1 3.79Å; M177-L204 WeakPolarHBondContact O-CA 3.46Å; M177-L204 HydrophobicContact SD-CD1 3.84Å; L180-L204 HydrophobicContact CB-CD1 4.02Å; L180-L204 HydrophobicContact CB-CD2 4.21Å; L198-L204 HydrophobicContact CB-CB 4.32Å; L198-L204 HydrophobicContact CB-CD2 4.28Å; L198-L204 WeakPolarHBondContact O-CB 3.16Å; L198-L204 PolarHBondContact O-N 3.17Å; T199-L204 HydrophobicContact CG2-CB 4.2Å; S202-L204 VanDerWaalsContact C-N 3.34Å; S202-L204 PolarHBondContact O-N 3.07Å; L204-Q206 WeakPolarHBondContact CD1-O 3.3Å; L204-L228 HydrophobicContact CB-CD2 4.26Å; L204-L228 HydrophobicContact CD2-CD2 3.94Å; L204-L228 HydrophobicContact CG-CD2 3.78Å; L204-L228 WeakPolarHBondContact O-CD2 3.41Å | ||
| 205 | G | 91.1 | Very high | 90.5 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | trans | -82.4 | -41 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | M177 K178 R203 Q229 N230 | M177-G205 PolarHBondContact O-N 3.24Å; K178-G205 WeakPolarHBondContact O-CA 3.47Å; K178-G205 PolarHBondContact O-N 2.83Å; K178-G205 VanDerWaalsContact O-N 3.17Å; R203-G205 PolarHBondContact O-N 3.29Å; G205-Q229 WeakPolarHBondContact O-CA 3.3Å; G205-Q229 WeakPolarHBondContact O-CB 3.37Å; G205-Q229 PolarHBondContact O-N 3.09Å; G205-N230 PolarHBondContact O-N 3.37Å | ||
| 206 | Q | 93.2 | Very high | 90.3 | Very high | 48 Ų | 48 | 45.4 Ų | 45.4 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.6 | -172.1 | -174.3 | -177.3 | 20.5 | 0 | 0 | 112.8 | K178 S179 L180 L204 I208 N230 | K178-Q206 PolarHBondContact O-N 2.88Å; S179-Q206 CarbonylContact C-O 3.53Å; S179-Q206 VanDerWaalsContact CA-O 3.27Å; S179-Q206 WeakPolarHBondContact CA-O 3.31Å; S179-Q206 PolarHBondContact OG-OE1 3.22Å; L180-Q206 PolarHBondContact N-O 2.88Å; L204-Q206 WeakPolarHBondContact CD1-O 3.3Å; Q206-I208 HydrophobicContact CG-CG1 4.18Å; Q206-N230 VanDerWaalsContact CA-O 3.3Å; Q206-N230 WeakPolarHBondContact CA-O 3.24Å; Q206-N230 HydrophobicContact CG-CB 4.37Å |
| 207 | L | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 117.4 | 177.4 | -177.3 | 58.8 | 0 | 0 | 0 | 111.1 | L180 L195 L209 F225 L228 N230 F231 E232 | L180-L207 HydrophobicContact CB-CD1 4Å; L180-L207 HydrophobicContact CD2-CD1 3.9Å; L180-L207 HydrophobicContact CG-CD1 3.93Å; L180-L207 WeakPolarHBondContact O-CA 3.49Å; L195-L207 HydrophobicContact CD2-CD1 4.38Å; L195-L207 HydrophobicContact CD2-CD2 4.49Å; L207-L209 HydrophobicContact CD1-CD1 4.49Å; L207-L209 HydrophobicContact CD1-CD2 4.14Å; L207-L209 HydrophobicContact CD1-CG 4.19Å; L207-L209 HydrophobicContact CD2-CD1 3.94Å; L207-L209 HydrophobicContact CD2-CG 4.47Å; L207-L209 HydrophobicContact CG-CD1 3.99Å; L207-L209 HydrophobicContact CG-CD2 4.46Å; L207-L209 HydrophobicContact CG-CG 3.98Å; L207-F225 HydrophobicContact CD2-CZ 4.21Å; L207-L228 HydrophobicContact CB-CD1 3.67Å; L207-L228 HydrophobicContact CB-CD2 4.18Å; L207-L228 HydrophobicContact CD2-CD1 3.92Å; L207-L228 HydrophobicContact CG-CD1 4.46Å; L207-N230 PolarHBondContact N-O 3.06Å; L207-F231 HydrophobicContact CB-CB 4.4Å; L207-F231 CarbonylContact O-C 3.54Å; L207-F231 WeakPolarHBondContact O-CA 3.36Å; L207-F231 WeakPolarHBondContact O-CB 3.21Å; L207-E232 PolarHBondContact O-N 3.29Å |
| 208 | I | 94.4 | Very high | 90.4 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116.8 | 179.8 | -57.5 | -176.7 | 0 | 0 | 0 | 109.4 | L180 I181 M182 R183 Q206 K210 E232 | L180-I208 PolarHBondContact O-N 3.2Å; I181-I208 HydrophobicContact CB-CB 4.35Å; I181-I208 HydrophobicContact CD1-CD1 3.95Å; I181-I208 HydrophobicContact CG1-CB 4.22Å; I181-I208 HydrophobicContact CG1-CD1 3.99Å; I181-I208 HydrophobicContact CG1-CG1 4.26Å; I181-I208 HydrophobicContact CG2-CB 4.03Å; I181-I208 HydrophobicContact CG2-CD1 4.43Å; I181-I208 HydrophobicContact CG2-CG2 4.11Å; M182-I208 PolarHBondContact N-O 3.17Å; R183-I208 HydrophobicContact CG-CG2 3.74Å; Q206-I208 HydrophobicContact CG-CG1 4.18Å; I208-K210 HydrophobicContact CG2-CB 4.38Å; I208-E232 HydrophobicContact CB-CB 4.37Å; I208-E232 HydrophobicContact CG1-CB 4.25Å; I208-E232 HydrophobicContact CG1-CG 4.46Å; I208-E232 HydrophobicContact CG2-CB 4.03Å |
| 209 | L | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -124.5 | 22.3 | -175.7 | -62.2 | 171.6 | 0 | 0 | 0 | 112.3 | M182 L187 L190 L207 N212 L214 E232 I233 N236 | M182-L209 HydrophobicContact CB-CD2 4.34Å; M182-L209 HydrophobicContact CE-CD2 3.62Å; L187-L209 HydrophobicContact CD1-CD2 4.27Å; L190-L209 HydrophobicContact CD1-CD1 3.64Å; L190-L209 HydrophobicContact CD2-CD1 3.92Å; L190-L209 HydrophobicContact CD2-CD2 3.93Å; L190-L209 HydrophobicContact CG-CD1 4.43Å; L207-L209 HydrophobicContact CD1-CD1 4.49Å; L207-L209 HydrophobicContact CD1-CD2 4.14Å; L207-L209 HydrophobicContact CD1-CG 4.19Å; L207-L209 HydrophobicContact CD2-CD1 3.94Å; L207-L209 HydrophobicContact CD2-CG 4.47Å; L207-L209 HydrophobicContact CG-CD1 3.99Å; L207-L209 HydrophobicContact CG-CD2 4.46Å; L207-L209 HydrophobicContact CG-CG 3.98Å; L209-N212 VanDerWaalsContact C-ND2 3.31Å; L209-N212 PolarHBondContact O-ND2 3.24Å; L209-L214 HydrophobicContact CB-CD1 4.29Å; L209-L214 HydrophobicContact CD1-CD1 4.08Å; L209-E232 PolarHBondContact N-O 2.88Å; L209-I233 HydrophobicContact CD1-CG2 4.49Å; L209-N236 PolarHBondContact O-ND2 2.96Å | ||
| 210 | K | 93.1 | Very high | 90.2 | Very high | 56 Ų | 56 | 53 Ų | 53 | 24% | 0.243 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 135.4 | -178 | -173.8 | 177.1 | -174.5 | 170.1 | 0 | 112.2 | R183 N184 I208 N234 D235 N272 | R183-K210 WeakPolarHBondContact CA-O 3.5Å; R183-K210 HydrophobicContact CG-CB 4.21Å; N184-K210 PolarHBondContact N-O 3.14Å; N184-K210 VanDerWaalsContact N-O 3.07Å; I208-K210 HydrophobicContact CG2-CB 4.38Å; K210-N234 WeakPolarHBondContact CA-O 3.44Å; K210-N234 WeakPolarHBondContact CD-ND2 3.29Å; K210-N234 VanDerWaalsContact CE-ND2 3.29Å; K210-N234 WeakPolarHBondContact CE-ND2 3.4Å; K210-D235 WeakPolarHBondContact CE-OD2 3.27Å; K210-D235 HydrophobicContact CG-CB 4.33Å; K210-D235 IonicContact NZ-OD2 3.91Å; K210-N272 PolarHBondContact NZ-OD1 3.43Å; K210-N272 VanDerWaalsContact NZ-OD1 3.17Å |
| 211 | G | 92.1 | Very high | 90.5 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 19.6 | 171 | 0 | 0 | 0 | 0 | 0 | 115.9 | N184 N234 D235 | N184-G211 WeakPolarHBondContact CA-O 3.34Å; N184-G211 WeakPolarHBondContact OD1-CA 3.2Å; G211-N234 PolarHBondContact N-O 2.84Å; G211-D235 CarbonylContact C-O 3.47Å; G211-D235 WeakPolarHBondContact CA-O 3.34Å; G211-D235 PolarHBondContact N-O 3.4Å |
| 212 | N | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -90.4 | -169.3 | 176.5 | -74.2 | -72.2 | 0 | 0 | 0 | 111.8 | M182 S185 N186 L187 L209 L214 N236 P237 | M182-N212 PolarHBondContact O-ND2 2.91Å; S185-N212 WeakPolarHBondContact CA-OD1 3.43Å; S185-N212 PolarHBondContact N-OD1 2.92Å; S185-N212 VanDerWaalsContact N-OD1 3.11Å; N186-N212 PolarHBondContact N-OD1 2.93Å; N186-N212 VanDerWaalsContact N-OD1 3.15Å; L187-N212 HydrophobicContact CB-CB 4.12Å; L187-N212 WeakPolarHBondContact CG-OD1 3.3Å; L187-N212 PolarHBondContact N-OD1 3.49Å; L209-N212 VanDerWaalsContact C-ND2 3.31Å; L209-N212 PolarHBondContact O-ND2 3.24Å; N212-L214 HydrophobicContact CB-CG 4.24Å; N212-N236 VanDerWaalsContact CA-OD1 3.3Å; N212-N236 WeakPolarHBondContact CA-OD1 3.2Å; N212-N236 WeakPolarHBondContact CB-OD1 3.14Å; N212-N236 PolarHBondContact N-OD1 2.76Å; N212-N236 PolarHBondContact O-OD1 3.36Å; N212-P237 WeakPolarHBondContact O-CD 3.15Å | ||
| 213 | Q | 92.9 | Very high | 91.1 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 40% | 0.397 | 24% | 0.235 | S | C | . | . | trans | -112.5 | 27.2 | -177.4 | -63.2 | -62.1 | -55.2 | 0 | 0 | 111.9 | L187 R188 R215 | L187-Q213 CarbonylContact O-C 3.11Å; L187-Q213 VanDerWaalsContact O-CA 3.3Å; L187-Q213 WeakPolarHBondContact O-CA 3.47Å; L187-Q213 PolarHBondContact O-N 2.89Å; R188-Q213 HydrophobicContact CG-CB 4.05Å; Q213-R215 PolarHBondContact O-N 2.85Å | ||
| 214 | L | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -69.8 | 124.8 | 179.4 | -56.3 | 174.3 | 0 | 0 | 0 | 110.2 | L187 L190 L209 N212 N236 P237 W238 | L187-L214 HydrophobicContact CB-CD2 4.4Å; L187-L214 PolarHBondContact O-N 3.35Å; L190-L214 HydrophobicContact CD1-CD1 4.33Å; L190-L214 HydrophobicContact CD2-CD1 4.2Å; L190-L214 HydrophobicContact CD2-CD2 4.09Å; L190-L214 HydrophobicContact CG-CD1 4.31Å; L190-L214 HydrophobicContact CG-CD2 4.02Å; L209-L214 HydrophobicContact CB-CD1 4.29Å; L209-L214 HydrophobicContact CD1-CD1 4.08Å; N212-L214 HydrophobicContact CB-CG 4.24Å; L214-N236 HydrophobicContact CB-CB 4.32Å; L214-N236 VanDerWaalsContact CB-OD1 3.31Å; L214-N236 WeakPolarHBondContact CB-OD1 3.17Å; L214-N236 WeakPolarHBondContact CG-OD1 3.33Å; L214-N236 PolarHBondContact N-OD1 2.88Å; L214-N236 VanDerWaalsContact N-OD1 3.14Å; L214-P237 CarbonylContact O-C 3.55Å; L214-P237 VanDerWaalsContact O-CD 3.24Å; L214-P237 WeakPolarHBondContact O-CD 3.4Å; L214-P237 WeakPolarHBondContact O-CG 3.37Å; L214-W238 HydrophobicContact CB-CH2 3.71Å; L214-W238 HydrophobicContact CB-CZ2 4.11Å; L214-W238 HydrophobicContact CB-CZ3 4.18Å; L214-W238 HydrophobicContact CD1-CH2 4.11Å; L214-W238 HydrophobicContact CD1-CZ2 4.37Å | ||
| 215 | R | 89.8 | Confident | 91.2 | Very high | 167 Ų | 167 | 41.6 Ų | 41.6 | 63% | 0.63 | 20% | 0.2 | S | C | * | . | trans | -103.8 | -46.1 | 178.9 | -66.8 | -175.2 | 175.2 | -170.4 | -3.2 | 113 | Q213 P237 H239 | Q213-R215 PolarHBondContact O-N 2.85Å; R215-P237 WeakPolarHBondContact CA-O 3.46Å; R215-P237 HydrophobicContact CG-CB 4.39Å; R215-P237 HydrophobicContact CG-CG 3.95Å; R215-H239 PolarHBondContact O-N 2.82Å | ||
| 216 | R | 86.8 | Confident | 91.1 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | trans | -134.1 | 152.1 | 178.2 | -69.8 | -178.2 | 172.4 | 159.2 | 1.6 | 108.9 | H239 D241 D372 | R216-H239 HydrophobicContact CG-CB 4.09Å; R216-H239 PolarHBondContact NE-CD2 3.43Å; R216-H239 PolarHBondContact NH2-CD2 3.41Å; R216-H239 VanDerWaalsContact NH2-CD2 3.33Å; R216-H239 PolarHBondContact NH2-NE2 3.46Å; R216-H239 VanDerWaalsContact NH2-NE2 3.14Å; R216-D241 IonicContact CZ-OD2 2.65Å; R216-D241 IonicContact NE-OD2 3.22Å; R216-D241 PolarHBondContact NE-OD2 3.37Å; R216-D241 IonicContact NH2-OD2 3.15Å; R216-D241 PolarHBondContact NH2-OD2 3.06Å; R216-D372 IonicContact NH1-OD2 3.14Å; R216-D372 PolarHBondContact NH1-OD2 2.76Å | ||
| 217 | L | 90.5 | Very high | 90.9 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | trans | -128.3 | 125.6 | 162.6 | -69.3 | 176.2 | 0 | 0 | 0 | 108.2 | L190 Y221 F225 W238 W246 L247 | L190-L217 HydrophobicContact CD1-CD1 4.04Å; L190-L217 HydrophobicContact CD1-CD2 3.72Å; L190-L217 HydrophobicContact CG-CD2 4.07Å; L217-Y221 HydrophobicContact CB-CD2 4.22Å; L217-Y221 HydrophobicContact CD2-CD2 4.18Å; L217-Y221 HydrophobicContact CD2-CE2 4.14Å; L217-F225 HydrophobicContact CD1-CE2 4.01Å; L217-F225 HydrophobicContact CD1-CZ 3.92Å; L217-W238 HydrophobicContact CD1-CH2 3.78Å; L217-W238 HydrophobicContact CD1-CZ3 4.22Å; L217-W238 HydrophobicContact CG-CH2 3.94Å; L217-W238 HydrophobicContact CG-CZ3 3.95Å; L217-W246 HydrophobicContact CB-CH2 4.29Å; L217-W246 HydrophobicContact CB-CZ2 3.68Å; L217-W246 WeakPolarHBondContact O-CZ2 3.29Å; L217-W246 PolarHBondContact O-NE1 2.85Å; L217-L247 HydrophobicContact CD1-CD2 4.18Å | ||
| 218 | D | 86.2 | Confident | 90.8 | Very high | 74 Ų | 74 | 51.1 Ų | 51.1 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | trans | -67.6 | 153.2 | -179.5 | 178.1 | 12.8 | 0 | 0 | 0 | 111.8 | K220 Y221 W246 | D218-K220 HydrophobicContact CB-CD 4.37Å; D218-K220 HydrophobicContact CB-CG 4.07Å; D218-K220 PolarHBondContact O-N 2.82Å; D218-K220 WeakPolarHBondContact OD2-CD 3.29Å; D218-K220 VanDerWaalsContact OD2-CE 3.23Å; D218-K220 WeakPolarHBondContact OD2-CE 3.37Å; D218-K220 IonicContact OD2-NZ 2.6Å; D218-K220 PolarHBondContact OD2-NZ 3.19Å; D218-Y221 HydrophobicContact CB-CD2 4.22Å; D218-Y221 HydrophobicContact CB-CE2 4.3Å; D218-Y221 WeakPolarHBondContact O-CD2 3.48Å; D218-Y221 PolarHBondContact O-N 2.59Å; D218-W246 VanDerWaalsContact O-CZ2 3.27Å; D218-W246 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 219 | M | 86.3 | Confident | 90.6 | Very high | 110 Ų | 110 | 58.3 Ų | 58.3 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -54.3 | -30 | -177.3 | -174.6 | 67.4 | 70.4 | 0 | 0 | 112.8 | Y221 D222 W246 | M219-Y221 PolarHBondContact O-N 2.96Å; M219-Y221 VanDerWaalsContact O-N 3.09Å; M219-D222 WeakPolarHBondContact O-CB 3.47Å; M219-D222 PolarHBondContact O-N 3.44Å; M219-W246 HydrophobicContact CE-CB 3.83Å; M219-W246 HydrophobicContact CE-CG 4.07Å; M219-W246 HydrophobicContact SD-CB 3.56Å; M219-W246 VanDerWaalsContact SD-CB 3.56Å; M219-W246 HydrophobicContact SD-CG 3.64Å |
| 220 | K | 88.5 | Confident | 90.4 | Very high | 89 Ų | 89 | 60.7 Ų | 60.7 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -51.4 | -33.1 | 175.1 | 69.1 | -172.4 | 173.3 | -135.9 | 0 | 113.4 | Y192 D218 D222 | Y192-K220 HydrophobicContact CD2-CB 4.44Å; Y192-K220 HydrophobicContact CD2-CD 4.06Å; Y192-K220 HydrophobicContact CD2-CG 3.89Å; Y192-K220 HydrophobicContact CE2-CB 4Å; Y192-K220 HydrophobicContact CE2-CD 4.39Å; Y192-K220 HydrophobicContact CE2-CG 3.97Å; Y192-K220 WeakPolarHBondContact CE2-O 3.5Å; D218-K220 HydrophobicContact CB-CD 4.37Å; D218-K220 HydrophobicContact CB-CG 4.07Å; D218-K220 PolarHBondContact O-N 2.82Å; D218-K220 WeakPolarHBondContact OD2-CD 3.29Å; D218-K220 VanDerWaalsContact OD2-CE 3.23Å; D218-K220 WeakPolarHBondContact OD2-CE 3.37Å; D218-K220 IonicContact OD2-NZ 2.6Å; D218-K220 PolarHBondContact OD2-NZ 3.19Å; K220-D222 VanDerWaalsContact C-N 3.26Å; K220-D222 PolarHBondContact O-N 3.24Å |
| 221 | Y | 92.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.027 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -71.9 | -14 | 180 | -66.4 | -85.6 | 0 | 0 | 0 | 113.3 | L190 Y192 L217 D218 M219 V223 I224 F225 | L190-Y221 HydrophobicContact CB-CE1 3.82Å; L190-Y221 PolarHBondContact O-OH 2.79Å; Y192-Y221 HydrophobicContact CD2-CD1 4.02Å; Y192-Y221 AromaticContact CD2-CE1 3.98Å; Y192-Y221 HydrophobicContact CD2-CE1 3.98Å; Y192-Y221 HydrophobicContact CD2-CG 4.48Å; L217-Y221 HydrophobicContact CB-CD2 4.22Å; L217-Y221 HydrophobicContact CD2-CD2 4.18Å; L217-Y221 HydrophobicContact CD2-CE2 4.14Å; D218-Y221 HydrophobicContact CB-CD2 4.22Å; D218-Y221 HydrophobicContact CB-CE2 4.3Å; D218-Y221 WeakPolarHBondContact O-CD2 3.48Å; D218-Y221 PolarHBondContact O-N 2.59Å; M219-Y221 PolarHBondContact O-N 2.96Å; M219-Y221 VanDerWaalsContact O-N 3.09Å; Y221-V223 PolarHBondContact O-N 3.37Å; Y221-I224 HydrophobicContact CD1-CD1 3.9Å; Y221-I224 WeakPolarHBondContact O-CB 3.24Å; Y221-I224 PolarHBondContact O-N 3.46Å; Y221-F225 WeakPolarHBondContact O-CD2 3.21Å; Y221-F225 PolarHBondContact O-N 2.84Å |
| 222 | D | 89.9 | Confident | 90.4 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 20% | 0.203 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.1 | -33.3 | 179.3 | -172.4 | 57.8 | 0 | 0 | 0 | 112.3 | M219 K220 I224 F225 K226 W246 R250 | M219-D222 WeakPolarHBondContact O-CB 3.47Å; M219-D222 PolarHBondContact O-N 3.44Å; K220-D222 VanDerWaalsContact C-N 3.26Å; K220-D222 PolarHBondContact O-N 3.24Å; D222-I224 VanDerWaalsContact C-N 3.28Å; D222-I224 PolarHBondContact O-N 3.1Å; D222-F225 PolarHBondContact O-N 2.85Å; D222-K226 WeakPolarHBondContact O-CB 3.23Å; D222-K226 PolarHBondContact O-N 3.19Å; D222-W246 HydrophobicContact CB-CD2 4.1Å; D222-W246 HydrophobicContact CB-CE3 3.59Å; D222-W246 HydrophobicContact CB-CZ3 4Å; D222-R250 IonicContact OD1-CZ 2.86Å; D222-R250 IonicContact OD1-NE 3.41Å; D222-R250 PolarHBondContact OD1-NE 2.84Å; D222-R250 IonicContact OD1-NH2 3.8Å; D222-R250 PolarHBondContact OD1-NH2 3.22Å; D222-R250 IonicContact OD2-CZ 3.76Å; D222-R250 IonicContact OD2-NH2 3.46Å; D222-R250 PolarHBondContact OD2-NH2 3.11Å |
| 223 | V | 90.3 | Very high | 90.4 | Very high | 87 Ų | 87 | 60.3 Ų | 60.3 | 53% | 0.527 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | Y221 | Y221-V223 PolarHBondContact O-N 3.37Å |
| 224 | I | 91.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.7 | -51.6 | 179 | -61.7 | 166.9 | 0 | 0 | 0 | 109.5 | Y192 L195 E196 T199 Y221 D222 K226 E227 | Y192-I224 HydrophobicContact CD2-CD1 3.73Å; Y192-I224 HydrophobicContact CE2-CD1 3.76Å; Y192-I224 HydrophobicContact CE2-CG1 4.48Å; L195-I224 HydrophobicContact CB-CD1 3.94Å; L195-I224 HydrophobicContact CB-CG2 4.15Å; E196-I224 HydrophobicContact CB-CD1 4.21Å; E196-I224 HydrophobicContact CB-CG1 4.27Å; T199-I224 HydrophobicContact CG2-CG2 3.69Å; Y221-I224 HydrophobicContact CD1-CD1 3.9Å; Y221-I224 WeakPolarHBondContact O-CB 3.24Å; Y221-I224 PolarHBondContact O-N 3.46Å; D222-I224 VanDerWaalsContact C-N 3.28Å; D222-I224 PolarHBondContact O-N 3.1Å; I224-K226 PolarHBondContact O-N 3.27Å; I224-E227 PolarHBondContact O-N 3.39Å |
| 225 | F | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.8 | -16.7 | -176.7 | -79.1 | -100.2 | 0 | 0 | 0 | 113.9 | L207 L217 Y221 D222 L228 F231 I233 W246 L247 R250 | L207-F225 HydrophobicContact CD2-CZ 4.21Å; L217-F225 HydrophobicContact CD1-CE2 4.01Å; L217-F225 HydrophobicContact CD1-CZ 3.92Å; Y221-F225 WeakPolarHBondContact O-CD2 3.21Å; Y221-F225 PolarHBondContact O-N 2.84Å; D222-F225 PolarHBondContact O-N 2.85Å; F225-L228 HydrophobicContact CD1-CD1 3.96Å; F225-L228 HydrophobicContact CE1-CD1 4.36Å; F225-L228 HydrophobicContact CG-CD1 4.25Å; F225-F231 HydrophobicContact CD1-CB 4.45Å; F225-F231 AromaticContact CD1-CD1 3.69Å; F225-F231 HydrophobicContact CD1-CD1 3.69Å; F225-F231 HydrophobicContact CD1-CD2 4.06Å; F225-F231 AromaticContact CD1-CE1 3.78Å; F225-F231 HydrophobicContact CD1-CE1 3.78Å; F225-F231 HydrophobicContact CD1-CE2 4.14Å; F225-F231 AromaticContact CD1-CG 3.82Å; F225-F231 HydrophobicContact CD1-CG 3.82Å; F225-F231 HydrophobicContact CD1-CZ 4.01Å; F225-F231 HydrophobicContact CE1-CB 4.28Å; F225-F231 HydrophobicContact CE1-CD1 4.26Å; F225-F231 AromaticContact CE1-CD2 3.89Å; F225-F231 HydrophobicContact CE1-CD2 3.89Å; F225-F231 HydrophobicContact CE1-CE2 4.22Å; F225-F231 AromaticContact CE1-CG 3.9Å; F225-F231 HydrophobicContact CE1-CG 3.9Å; F225-I233 HydrophobicContact CE1-CG2 4.29Å; F225-W246 HydrophobicContact CB-CZ3 4.08Å; F225-W246 AromaticContact CD2-CH2 3.94Å; F225-W246 HydrophobicContact CD2-CH2 3.94Å; F225-W246 HydrophobicContact CD2-CZ3 4.18Å; F225-W246 HydrophobicContact CE2-CH2 4.35Å; F225-W246 HydrophobicContact CG-CH2 4.37Å; F225-W246 HydrophobicContact CG-CZ3 4.19Å; F225-L247 HydrophobicContact CD1-CD1 4.2Å; F225-L247 HydrophobicContact CE1-CD1 4.17Å; F225-R250 HydrophobicContact CB-CG 4.01Å |
| 226 | K | 89.7 | Confident | 90.5 | Very high | 131 Ų | 131 | 53.6 Ų | 53.6 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.8 | -32.5 | 173.2 | -178.3 | 179.4 | 177 | -171.7 | 0 | 113.4 | D222 I224 | D222-K226 WeakPolarHBondContact O-CB 3.23Å; D222-K226 PolarHBondContact O-N 3.19Å; I224-K226 PolarHBondContact O-N 3.27Å |
| 227 | E | 89.1 | Confident | 90.8 | Very high | 118 Ų | 118 | 50.9 Ų | 50.9 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -85.6 | -16.2 | -179.8 | -61.4 | -58.9 | 131.3 | 0 | 0 | 112.9 | T199 I224 | T199-E227 HydrophobicContact CG2-CB 4.37Å; I224-E227 PolarHBondContact O-N 3.39Å |
| 228 | L | 91.5 | Very high | 90.9 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | trans | -70.7 | 139.2 | 176.4 | -63.6 | 178.3 | 0 | 0 | 0 | 111.8 | T199 L204 L207 F225 F231 | T199-L228 HydrophobicContact CG2-CD2 3.97Å; T199-L228 HydrophobicContact CG2-CG 4.43Å; L204-L228 HydrophobicContact CB-CD2 4.26Å; L204-L228 HydrophobicContact CD2-CD2 3.94Å; L204-L228 HydrophobicContact CG-CD2 3.78Å; L204-L228 WeakPolarHBondContact O-CD2 3.41Å; L207-L228 HydrophobicContact CB-CD1 3.67Å; L207-L228 HydrophobicContact CB-CD2 4.18Å; L207-L228 HydrophobicContact CD2-CD1 3.92Å; L207-L228 HydrophobicContact CG-CD1 4.46Å; F225-L228 HydrophobicContact CD1-CD1 3.96Å; F225-L228 HydrophobicContact CE1-CD1 4.36Å; F225-L228 HydrophobicContact CG-CD1 4.25Å; L228-F231 HydrophobicContact CD1-CB 4.16Å; L228-F231 HydrophobicContact CD1-CD1 4.43Å | ||
| 229 | Q | 89.4 | Confident | 91 | Very high | 161 Ų | 161 | 48.1 Ų | 48.1 | 75% | 0.752 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -81 | -32.7 | 173.9 | -57.8 | -179.2 | -12 | 0 | 0 | 112.1 | G205 | G205-Q229 WeakPolarHBondContact O-CA 3.3Å; G205-Q229 WeakPolarHBondContact O-CB 3.37Å; G205-Q229 PolarHBondContact O-N 3.09Å |
| 230 | N | 89.9 | Confident | 91.1 | Very high | 50 Ų | 50 | 43 Ų | 43 | 27% | 0.267 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 149 | 178 | -175.1 | 32.6 | 0 | 0 | 0 | 110.8 | G205 Q206 L207 | G205-N230 PolarHBondContact O-N 3.37Å; Q206-N230 VanDerWaalsContact CA-O 3.3Å; Q206-N230 WeakPolarHBondContact CA-O 3.24Å; Q206-N230 HydrophobicContact CG-CB 4.37Å; L207-N230 PolarHBondContact N-O 3.06Å |
| 231 | F | 93 | Very high | 90.8 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 151.1 | 172.2 | 62.2 | -97.2 | 0 | 0 | 0 | 113.2 | L207 F225 L228 I233 L247 R250 Y251 I254 | L207-F231 HydrophobicContact CB-CB 4.4Å; L207-F231 CarbonylContact O-C 3.54Å; L207-F231 WeakPolarHBondContact O-CA 3.36Å; L207-F231 WeakPolarHBondContact O-CB 3.21Å; F225-F231 HydrophobicContact CD1-CB 4.45Å; F225-F231 AromaticContact CD1-CD1 3.69Å; F225-F231 HydrophobicContact CD1-CD1 3.69Å; F225-F231 HydrophobicContact CD1-CD2 4.06Å; F225-F231 AromaticContact CD1-CE1 3.78Å; F225-F231 HydrophobicContact CD1-CE1 3.78Å; F225-F231 HydrophobicContact CD1-CE2 4.14Å; F225-F231 AromaticContact CD1-CG 3.82Å; F225-F231 HydrophobicContact CD1-CG 3.82Å; F225-F231 HydrophobicContact CD1-CZ 4.01Å; F225-F231 HydrophobicContact CE1-CB 4.28Å; F225-F231 HydrophobicContact CE1-CD1 4.26Å; F225-F231 AromaticContact CE1-CD2 3.89Å; F225-F231 HydrophobicContact CE1-CD2 3.89Å; F225-F231 HydrophobicContact CE1-CE2 4.22Å; F225-F231 AromaticContact CE1-CG 3.9Å; F225-F231 HydrophobicContact CE1-CG 3.9Å; L228-F231 HydrophobicContact CD1-CB 4.16Å; L228-F231 HydrophobicContact CD1-CD1 4.43Å; F231-I233 HydrophobicContact CD2-CD1 4.33Å; F231-I233 HydrophobicContact CD2-CG1 4.02Å; F231-I233 HydrophobicContact CD2-CG2 3.87Å; F231-I233 HydrophobicContact CE2-CD1 3.83Å; F231-I233 HydrophobicContact CE2-CG1 3.97Å; F231-I233 HydrophobicContact CE2-CG2 4.4Å; F231-L247 HydrophobicContact CE2-CD1 4.41Å; F231-R250 HydrophobicContact CE1-CG 3.84Å; F231-R250 HydrophobicContact CZ-CG 3.94Å; F231-Y251 AromaticContact CE2-CD2 3.9Å; F231-Y251 HydrophobicContact CE2-CD2 3.9Å; F231-Y251 HydrophobicContact CZ-CD2 4.4Å; F231-I254 HydrophobicContact CD1-CD1 3.81Å; F231-I254 HydrophobicContact CE1-CD1 3.55Å; F231-I254 HydrophobicContact CE1-CG1 4.36Å |
| 232 | E | 92.3 | Very high | 90.2 | Very high | 63 Ų | 63 | 41 Ų | 41 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 117.9 | 178.1 | -74.3 | 174.2 | -136.8 | 0 | 0 | 109.6 | L207 I208 L209 | L207-E232 PolarHBondContact O-N 3.29Å; I208-E232 HydrophobicContact CB-CB 4.37Å; I208-E232 HydrophobicContact CG1-CB 4.25Å; I208-E232 HydrophobicContact CG1-CG 4.46Å; I208-E232 HydrophobicContact CG2-CB 4.03Å; L209-E232 PolarHBondContact N-O 2.88Å |
| 233 | I | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -129.3 | 10.2 | -173.2 | 54 | 160.3 | 0 | 0 | 0 | 113.1 | L209 F225 F231 N236 W238 L247 Y251 P274 F287 | L209-I233 HydrophobicContact CD1-CG2 4.49Å; F225-I233 HydrophobicContact CE1-CG2 4.29Å; F231-I233 HydrophobicContact CD2-CD1 4.33Å; F231-I233 HydrophobicContact CD2-CG1 4.02Å; F231-I233 HydrophobicContact CD2-CG2 3.87Å; F231-I233 HydrophobicContact CE2-CD1 3.83Å; F231-I233 HydrophobicContact CE2-CG1 3.97Å; F231-I233 HydrophobicContact CE2-CG2 4.4Å; I233-N236 PolarHBondContact O-ND2 3.3Å; I233-W238 HydrophobicContact CB-CZ2 3.87Å; I233-W238 HydrophobicContact CD1-CZ2 4.32Å; I233-W238 HydrophobicContact CG2-CZ2 4.38Å; I233-W238 PolarHBondContact O-NE1 2.95Å; I233-L247 HydrophobicContact CD1-CD1 4.16Å; I233-L247 HydrophobicContact CD1-CD2 3.87Å; I233-L247 HydrophobicContact CD1-CG 3.99Å; I233-Y251 HydrophobicContact CD1-CD2 4.48Å; I233-Y251 HydrophobicContact CG1-CD2 4.46Å; I233-P274 HydrophobicContact CD1-CB 4.31Å; I233-P274 HydrophobicContact CD1-CG 4.22Å; I233-P274 HydrophobicContact CG1-CB 4.16Å; I233-P274 HydrophobicContact CG1-CG 4.12Å; I233-F287 HydrophobicContact CD1-CD2 4.4Å; I233-F287 HydrophobicContact CD1-CE2 3.75Å | ||
| 234 | N | 92.2 | Very high | 89.7 | Confident | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | trans | -64.4 | 164.7 | 176.1 | 41.4 | -59.2 | 0 | 0 | 0 | 112.6 | K210 G211 N236 N272 | K210-N234 WeakPolarHBondContact CA-O 3.44Å; K210-N234 WeakPolarHBondContact CD-ND2 3.29Å; K210-N234 VanDerWaalsContact CE-ND2 3.29Å; K210-N234 WeakPolarHBondContact CE-ND2 3.4Å; G211-N234 PolarHBondContact N-O 2.84Å; N234-N236 VanDerWaalsContact C-N 3.26Å; N234-N236 PolarHBondContact O-N 3.23Å; N234-N236 PolarHBondContact O-ND2 3.17Å; N234-N272 WeakPolarHBondContact CB-O 3.29Å; N234-N272 PolarHBondContact ND2-O 3.11Å | ||
| 235 | D | 92.4 | Very high | 89.5 | Confident | 91 Ų | 91 | 38.8 Ų | 38.8 | 49% | 0.487 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 53.7 | 38.3 | -176.4 | -51.7 | -30.3 | 0 | 0 | 0 | 114.2 | K210 G211 | K210-D235 WeakPolarHBondContact CE-OD2 3.27Å; K210-D235 HydrophobicContact CG-CB 4.33Å; K210-D235 IonicContact NZ-OD2 3.91Å; G211-D235 CarbonylContact C-O 3.47Å; G211-D235 WeakPolarHBondContact CA-O 3.34Å; G211-D235 PolarHBondContact N-O 3.4Å |
| 236 | N | 94.2 | Very high | 89.3 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.053 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -117.4 | 148.2 | 171.6 | -81.9 | -94 | 0 | 0 | 0 | 109.9 | L209 N212 L214 I233 N234 W238 | L209-N236 PolarHBondContact O-ND2 2.96Å; N212-N236 VanDerWaalsContact CA-OD1 3.3Å; N212-N236 WeakPolarHBondContact CA-OD1 3.2Å; N212-N236 WeakPolarHBondContact CB-OD1 3.14Å; N212-N236 PolarHBondContact N-OD1 2.76Å; N212-N236 PolarHBondContact O-OD1 3.36Å; L214-N236 HydrophobicContact CB-CB 4.32Å; L214-N236 VanDerWaalsContact CB-OD1 3.31Å; L214-N236 WeakPolarHBondContact CB-OD1 3.17Å; L214-N236 WeakPolarHBondContact CG-OD1 3.33Å; L214-N236 PolarHBondContact N-OD1 2.88Å; L214-N236 VanDerWaalsContact N-OD1 3.14Å; I233-N236 PolarHBondContact O-ND2 3.3Å; N234-N236 VanDerWaalsContact C-N 3.26Å; N234-N236 PolarHBondContact O-N 3.23Å; N234-N236 PolarHBondContact O-ND2 3.17Å; N236-W238 HydrophobicContact CB-CD2 4.4Å; N236-W238 HydrophobicContact CB-CZ2 3.89Å; N236-W238 PolarHBondContact O-N 3.15Å |
| 237 | P | 92.8 | Very high | 89.5 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 10% | 0.097 | 17% | 0.168 | C | C | . | . | trans | -75.9 | 56.4 | -177.2 | 32.9 | -38.1 | 0 | 0 | 0 | 113.4 | N212 L214 R215 H239 L277 | N212-P237 WeakPolarHBondContact O-CD 3.15Å; L214-P237 CarbonylContact O-C 3.55Å; L214-P237 VanDerWaalsContact O-CD 3.24Å; L214-P237 WeakPolarHBondContact O-CD 3.4Å; L214-P237 WeakPolarHBondContact O-CG 3.37Å; R215-P237 WeakPolarHBondContact CA-O 3.46Å; R215-P237 HydrophobicContact CG-CB 4.39Å; R215-P237 HydrophobicContact CG-CG 3.95Å; P237-H239 PolarHBondContact O-N 3.05Å; P237-L277 HydrophobicContact CB-CD2 3.48Å; P237-L277 VanDerWaalsContact CB-CD2 3.48Å | ||
| 238 | W | 92.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 133.9 | -174.5 | -67.4 | 111.8 | 0 | 0 | 0 | 113.4 | L214 L217 I233 N236 L244 L247 L277 T278 F287 | L214-W238 HydrophobicContact CB-CH2 3.71Å; L214-W238 HydrophobicContact CB-CZ2 4.11Å; L214-W238 HydrophobicContact CB-CZ3 4.18Å; L214-W238 HydrophobicContact CD1-CH2 4.11Å; L214-W238 HydrophobicContact CD1-CZ2 4.37Å; L217-W238 HydrophobicContact CD1-CH2 3.78Å; L217-W238 HydrophobicContact CD1-CZ3 4.22Å; L217-W238 HydrophobicContact CG-CH2 3.94Å; L217-W238 HydrophobicContact CG-CZ3 3.95Å; I233-W238 HydrophobicContact CB-CZ2 3.87Å; I233-W238 HydrophobicContact CD1-CZ2 4.32Å; I233-W238 HydrophobicContact CG2-CZ2 4.38Å; I233-W238 PolarHBondContact O-NE1 2.95Å; N236-W238 HydrophobicContact CB-CD2 4.4Å; N236-W238 HydrophobicContact CB-CZ2 3.89Å; N236-W238 PolarHBondContact O-N 3.15Å; W238-L244 HydrophobicContact CB-CD2 4.12Å; W238-L244 HydrophobicContact CD2-CD2 4.3Å; W238-L244 HydrophobicContact CE3-CD1 3.83Å; W238-L244 HydrophobicContact CE3-CD2 3.87Å; W238-L244 HydrophobicContact CE3-CG 4.5Å; W238-L244 HydrophobicContact CG-CD2 4.42Å; W238-L244 HydrophobicContact CZ3-CD1 4Å; W238-L247 HydrophobicContact CE3-CD2 4.26Å; W238-L247 HydrophobicContact CH2-CD2 3.9Å; W238-L247 HydrophobicContact CZ2-CD2 4.36Å; W238-L247 HydrophobicContact CZ3-CD2 3.81Å; W238-L277 PolarHBondContact O-N 3.38Å; W238-T278 PolarHBondContact O-N 2.98Å; W238-T278 VanDerWaalsContact O-N 3.17Å; W238-F287 HydrophobicContact CB-CE1 4.24Å; W238-F287 HydrophobicContact CB-CZ 4.3Å; W238-F287 AromaticContact CD1-CZ 3.92Å; W238-F287 HydrophobicContact CD2-CZ 4.11Å; W238-F287 HydrophobicContact CG-CE1 4.14Å; W238-F287 AromaticContact CG-CZ 3.83Å; W238-F287 HydrophobicContact CG-CZ 3.83Å |
| 239 | H | 87.8 | Confident | 89.3 | Confident | 22 Ų | 22 | 31.4 Ų | 31.4 | 10% | 0.102 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 103.3 | 169 | -176.5 | 90.3 | 0 | 0 | 0 | 108.6 | R215 R216 P237 D241 T278 E423 | R215-H239 PolarHBondContact O-N 2.82Å; R216-H239 HydrophobicContact CG-CB 4.09Å; R216-H239 PolarHBondContact NE-CD2 3.43Å; R216-H239 PolarHBondContact NH2-CD2 3.41Å; R216-H239 VanDerWaalsContact NH2-CD2 3.33Å; R216-H239 PolarHBondContact NH2-NE2 3.46Å; R216-H239 VanDerWaalsContact NH2-NE2 3.14Å; P237-H239 PolarHBondContact O-N 3.05Å; H239-D241 IonicContact CD2-OD2 3.23Å; H239-D241 PolarHBondContact CD2-OD2 3.27Å; H239-D241 IonicContact NE2-OD2 2.86Å; H239-D241 PolarHBondContact NE2-OD2 3.13Å; H239-D241 PolarHBondContact O-N 3.39Å; H239-T278 CarbonylContact C-O 3.6Å; H239-T278 VanDerWaalsContact CA-O 3.3Å; H239-T278 WeakPolarHBondContact CA-O 3.14Å; H239-T278 WeakPolarHBondContact CA-OG1 3.26Å; H239-T278 WeakPolarHBondContact CB-OG1 3.26Å; H239-T278 WeakPolarHBondContact ND1-CB 3.12Å; H239-T278 PolarHBondContact ND1-OG1 3.18Å; H239-E423 IonicContact CE1-OE1 2.85Å; H239-E423 PolarHBondContact CE1-OE1 2.95Å |
| 240 | C | 88 | Confident | 89.3 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | trans | -89.8 | 79.8 | -172.6 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | C276 T278 P279 L282 L290 L314 | C240-C276 HydrophobicContact CB-CB 3.81Å; C240-C276 WeakPolarHBondContact CB-SG 3.4Å; C240-C276 VanDerWaalsContact SG-CA 3.6Å; C240-C276 WeakPolarHBondContact SG-CB 3.14Å; C240-C276 CovalentContact SG-SG 2.02Å; C240-C276 PolarHBondContact SG-SG 2.94Å; C240-T278 PolarHBondContact N-O 3.35Å; C240-P279 WeakPolarHBondContact O-CD 3.49Å; C240-L282 HydrophobicContact CB-CD1 3.98Å; C240-L282 VanDerWaalsContact O-CD1 3.25Å; C240-L282 WeakPolarHBondContact O-CD1 3.47Å; C240-L290 HydrophobicContact CB-CD1 4.47Å; C240-L314 HydrophobicContact CB-CD2 4.06Å; C240-L314 WeakPolarHBondContact O-CD2 3.41Å | ||
| 241 | D | 81.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 24.6 Ų | 24.6 | 4% | 0.043 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -103.6 | -171.9 | 170.3 | 57.8 | 23.5 | 0 | 0 | 0 | 110.9 | R216 H239 Q243 L244 | R216-D241 IonicContact CZ-OD2 2.65Å; R216-D241 IonicContact NE-OD2 3.22Å; R216-D241 PolarHBondContact NE-OD2 3.37Å; R216-D241 IonicContact NH2-OD2 3.15Å; R216-D241 PolarHBondContact NH2-OD2 3.06Å; H239-D241 IonicContact CD2-OD2 3.23Å; H239-D241 PolarHBondContact CD2-OD2 3.27Å; H239-D241 IonicContact NE2-OD2 2.86Å; H239-D241 PolarHBondContact NE2-OD2 3.13Å; H239-D241 PolarHBondContact O-N 3.39Å; D241-Q243 PolarHBondContact O-N 3.08Å; D241-Q243 WeakPolarHBondContact OD1-CA 3.3Å; D241-Q243 WeakPolarHBondContact OD1-CB 3.39Å; D241-Q243 PolarHBondContact OD1-N 3.45Å; D241-Q243 PolarHBondContact OD2-OE1 3.35Å; D241-L244 PolarHBondContact O-N 3.08Å; D241-L244 PolarHBondContact OD1-N 3.03Å; D241-L244 VanDerWaalsContact OD1-N 3.09Å |
| 242 | C | 81.4 | Confident | 89 | Confident | 47 Ų | 47 | 28 Ų | 28 | 32% | 0.318 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -61 | -25.6 | 173.2 | 76.5 | 0 | 0 | 0 | 0 | 113.7 | L244 N245 Y315 C316 | C242-L244 VanDerWaalsContact C-N 3.33Å; C242-N245 WeakPolarHBondContact O-CB 3.29Å; C242-N245 PolarHBondContact O-N 2.78Å; C242-Y315 PolarHBondContact N-O 2.77Å; C242-C316 VanDerWaalsContact CA-SG 3.6Å; C242-C316 HydrophobicContact CB-CB 3.61Å; C242-C316 WeakPolarHBondContact CB-SG 3.43Å; C242-C316 PolarHBondContact N-SG 2.85Å; C242-C316 WeakPolarHBondContact SG-CB 3.46Å; C242-C316 CovalentContact SG-SG 2.02Å; C242-C316 PolarHBondContact SG-SG 2.84Å |
| 243 | Q | 80.7 | Confident | 88.6 | Confident | 40 Ų | 40 | 28.4 Ų | 28.4 | 19% | 0.187 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -36 | -178.4 | -46.7 | -171.3 | -89.8 | 0 | 0 | 110.3 | D241 N245 W246 V449 | D241-Q243 PolarHBondContact O-N 3.08Å; D241-Q243 WeakPolarHBondContact OD1-CA 3.3Å; D241-Q243 WeakPolarHBondContact OD1-CB 3.39Å; D241-Q243 PolarHBondContact OD1-N 3.45Å; D241-Q243 PolarHBondContact OD2-OE1 3.35Å; Q243-N245 PolarHBondContact O-N 3.05Å; Q243-W246 PolarHBondContact O-NE1 3.34Å; Q243-V449 VanDerWaalsContact NE2-CB 3.27Å |
| 244 | L | 88.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4.4 | 178 | -150.9 | 68 | 0 | 0 | 0 | 113.8 | W238 D241 C242 W246 L247 I248 F287 | W238-L244 HydrophobicContact CB-CD2 4.12Å; W238-L244 HydrophobicContact CD2-CD2 4.3Å; W238-L244 HydrophobicContact CE3-CD1 3.83Å; W238-L244 HydrophobicContact CE3-CD2 3.87Å; W238-L244 HydrophobicContact CE3-CG 4.5Å; W238-L244 HydrophobicContact CG-CD2 4.42Å; W238-L244 HydrophobicContact CZ3-CD1 4Å; D241-L244 PolarHBondContact O-N 3.08Å; D241-L244 PolarHBondContact OD1-N 3.03Å; D241-L244 VanDerWaalsContact OD1-N 3.09Å; C242-L244 VanDerWaalsContact C-N 3.33Å; L244-W246 VanDerWaalsContact C-N 3.29Å; L244-W246 PolarHBondContact O-N 3.2Å; L244-L247 HydrophobicContact CD1-CB 4.19Å; L244-L247 HydrophobicContact CD1-CD2 3.7Å; L244-L247 HydrophobicContact CG-CB 4.28Å; L244-L247 HydrophobicContact CG-CD2 4.22Å; L244-L247 PolarHBondContact O-N 2.86Å; L244-I248 HydrophobicContact CB-CD1 4.34Å; L244-I248 HydrophobicContact CG-CD1 4.48Å; L244-I248 WeakPolarHBondContact O-CG1 3.21Å; L244-I248 PolarHBondContact O-N 3.2Å; L244-I248 VanDerWaalsContact O-N 3.11Å; L244-F287 HydrophobicContact CD2-CE1 4.29Å; L244-F287 HydrophobicContact CD2-CZ 3.78Å |
| 245 | N | 86.1 | Confident | 87.4 | Confident | 39 Ų | 39 | 31.4 Ų | 31.4 | 21% | 0.209 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.1 | -40.4 | -176.4 | -170.5 | 19.2 | 0 | 0 | 0 | 113 | C242 Q243 L247 I248 K249 T292 L314 | C242-N245 WeakPolarHBondContact O-CB 3.29Å; C242-N245 PolarHBondContact O-N 2.78Å; Q243-N245 PolarHBondContact O-N 3.05Å; N245-L247 VanDerWaalsContact C-N 3.35Å; N245-L247 PolarHBondContact O-N 2.92Å; N245-I248 PolarHBondContact O-N 2.93Å; N245-K249 WeakPolarHBondContact O-CB 3.31Å; N245-K249 WeakPolarHBondContact O-CG 3.4Å; N245-K249 PolarHBondContact O-N 2.83Å; N245-K249 WeakPolarHBondContact OD1-CE 3.38Å; N245-T292 PolarHBondContact ND2-O 3.15Å; N245-T292 VanDerWaalsContact ND2-O 3.15Å; N245-T292 WeakPolarHBondContact OD1-CA 3.49Å; N245-T292 WeakPolarHBondContact OD1-CB 3.26Å; N245-T292 PolarHBondContact OD1-O 3.11Å; N245-L314 HydrophobicContact CB-CD1 3.81Å |
| 246 | W | 89.3 | Confident | 86.3 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 6% | 0.057 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.1 | 72 | -93.3 | 0 | 0 | 0 | 112 | L217 D218 M219 D222 F225 Q243 L244 K249 R250 | L217-W246 HydrophobicContact CB-CH2 4.29Å; L217-W246 HydrophobicContact CB-CZ2 3.68Å; L217-W246 WeakPolarHBondContact O-CZ2 3.29Å; L217-W246 PolarHBondContact O-NE1 2.85Å; D218-W246 VanDerWaalsContact O-CZ2 3.27Å; D218-W246 WeakPolarHBondContact O-CZ2 3.4Å; M219-W246 HydrophobicContact CE-CB 3.83Å; M219-W246 HydrophobicContact CE-CG 4.07Å; M219-W246 HydrophobicContact SD-CB 3.56Å; M219-W246 VanDerWaalsContact SD-CB 3.56Å; M219-W246 HydrophobicContact SD-CG 3.64Å; D222-W246 HydrophobicContact CB-CD2 4.1Å; D222-W246 HydrophobicContact CB-CE3 3.59Å; D222-W246 HydrophobicContact CB-CZ3 4Å; F225-W246 HydrophobicContact CB-CZ3 4.08Å; F225-W246 AromaticContact CD2-CH2 3.94Å; F225-W246 HydrophobicContact CD2-CH2 3.94Å; F225-W246 HydrophobicContact CD2-CZ3 4.18Å; F225-W246 HydrophobicContact CE2-CH2 4.35Å; F225-W246 HydrophobicContact CG-CH2 4.37Å; F225-W246 HydrophobicContact CG-CZ3 4.19Å; Q243-W246 PolarHBondContact O-NE1 3.34Å; L244-W246 VanDerWaalsContact C-N 3.29Å; L244-W246 PolarHBondContact O-N 3.2Å; W246-K249 PolarHBondContact O-N 2.8Å; W246-R250 WeakPolarHBondContact O-CB 3.21Å; W246-R250 PolarHBondContact O-N 2.85Å |
| 247 | L | 92.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.3 | -38.8 | -178.9 | -175.8 | 67.6 | 0 | 0 | 0 | 110.9 | L217 F225 F231 I233 W238 L244 N245 R250 Y251 F287 | L217-L247 HydrophobicContact CD1-CD2 4.18Å; F225-L247 HydrophobicContact CD1-CD1 4.2Å; F225-L247 HydrophobicContact CE1-CD1 4.17Å; F231-L247 HydrophobicContact CE2-CD1 4.41Å; I233-L247 HydrophobicContact CD1-CD1 4.16Å; I233-L247 HydrophobicContact CD1-CD2 3.87Å; I233-L247 HydrophobicContact CD1-CG 3.99Å; W238-L247 HydrophobicContact CE3-CD2 4.26Å; W238-L247 HydrophobicContact CH2-CD2 3.9Å; W238-L247 HydrophobicContact CZ2-CD2 4.36Å; W238-L247 HydrophobicContact CZ3-CD2 3.81Å; L244-L247 HydrophobicContact CD1-CB 4.19Å; L244-L247 HydrophobicContact CD1-CD2 3.7Å; L244-L247 HydrophobicContact CG-CB 4.28Å; L244-L247 HydrophobicContact CG-CD2 4.22Å; L244-L247 PolarHBondContact O-N 2.86Å; N245-L247 VanDerWaalsContact C-N 3.35Å; N245-L247 PolarHBondContact O-N 2.92Å; L247-R250 PolarHBondContact O-N 3.34Å; L247-Y251 VanDerWaalsContact O-CB 3.3Å; L247-Y251 WeakPolarHBondContact O-CB 3.42Å; L247-Y251 PolarHBondContact O-N 3.37Å; L247-F287 HydrophobicContact CD2-CE2 4.24Å; L247-F287 HydrophobicContact CG-CE2 4.29Å |
| 248 | I | 88.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -46.5 | 175.3 | -61.3 | 160.6 | 0 | 0 | 0 | 109.9 | L244 N245 R250 Y251 R252 F287 L290 T292 L314 | L244-I248 HydrophobicContact CB-CD1 4.34Å; L244-I248 HydrophobicContact CG-CD1 4.48Å; L244-I248 WeakPolarHBondContact O-CG1 3.21Å; L244-I248 PolarHBondContact O-N 3.2Å; L244-I248 VanDerWaalsContact O-N 3.11Å; N245-I248 PolarHBondContact O-N 2.93Å; I248-R250 PolarHBondContact O-N 2.87Å; I248-Y251 PolarHBondContact O-N 3.37Å; I248-R252 WeakPolarHBondContact O-CB 3.43Å; I248-R252 WeakPolarHBondContact O-CG 3.3Å; I248-R252 PolarHBondContact O-N 3.34Å; I248-F287 HydrophobicContact CB-CD2 4.28Å; I248-F287 HydrophobicContact CG1-CD1 4.19Å; I248-F287 HydrophobicContact CG1-CD2 3.73Å; I248-F287 HydrophobicContact CG1-CE1 4.29Å; I248-F287 HydrophobicContact CG1-CE2 3.83Å; I248-F287 HydrophobicContact CG1-CG 3.92Å; I248-F287 HydrophobicContact CG1-CZ 4.13Å; I248-F287 HydrophobicContact CG2-CB 4.2Å; I248-F287 HydrophobicContact CG2-CG 4.39Å; I248-F287 WeakPolarHBondContact CG2-O 3.46Å; I248-L290 HydrophobicContact CD1-CD1 3.69Å; I248-L290 HydrophobicContact CG1-CD1 4.33Å; I248-L290 HydrophobicContact CG2-CB 4.22Å; I248-L290 HydrophobicContact CG2-CD1 4.45Å; I248-T292 HydrophobicContact CB-CG2 4.1Å; I248-T292 HydrophobicContact CG2-CG2 3.47Å; I248-T292 VanDerWaalsContact CG2-CG2 3.47Å; I248-L314 HydrophobicContact CD1-CD1 3.63Å; I248-L314 HydrophobicContact CD1-CD2 4.03Å; I248-L314 HydrophobicContact CD1-CG 4.47Å |
| 249 | K | 87.7 | Confident | 81.1 | Confident | 86 Ų | 86 | 49.9 Ų | 49.9 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58 | -45.9 | 172.8 | -74.4 | -177.2 | -179.2 | -174.8 | 0 | 112.1 | N245 W246 R252 S253 T292 | N245-K249 WeakPolarHBondContact O-CB 3.31Å; N245-K249 WeakPolarHBondContact O-CG 3.4Å; N245-K249 PolarHBondContact O-N 2.83Å; N245-K249 WeakPolarHBondContact OD1-CE 3.38Å; W246-K249 PolarHBondContact O-N 2.8Å; K249-R252 PolarHBondContact O-N 3.25Å; K249-S253 VanDerWaalsContact O-CB 3.29Å; K249-S253 WeakPolarHBondContact O-CB 3.46Å; K249-S253 PolarHBondContact O-N 3.27Å; K249-T292 WeakPolarHBondContact CE-O 3.45Å; K249-T292 VanDerWaalsContact CE-OG1 3.29Å; K249-T292 WeakPolarHBondContact CE-OG1 3.43Å; K249-T292 HydrophobicContact CG-CG2 3.95Å; K249-T292 WeakPolarHBondContact CG-OG1 3.3Å; K249-T292 PolarHBondContact NZ-O 3.4Å |
| 250 | R | 90.3 | Very high | 79.3 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 179.6 | -177.9 | 63.5 | 63.5 | -168.1 | -2.5 | 111.4 | D222 F225 F231 W246 L247 I248 S253 I254 | D222-R250 IonicContact OD1-CZ 2.86Å; D222-R250 IonicContact OD1-NE 3.41Å; D222-R250 PolarHBondContact OD1-NE 2.84Å; D222-R250 IonicContact OD1-NH2 3.8Å; D222-R250 PolarHBondContact OD1-NH2 3.22Å; D222-R250 IonicContact OD2-CZ 3.76Å; D222-R250 IonicContact OD2-NH2 3.46Å; D222-R250 PolarHBondContact OD2-NH2 3.11Å; F225-R250 HydrophobicContact CB-CG 4.01Å; F231-R250 HydrophobicContact CE1-CG 3.84Å; F231-R250 HydrophobicContact CZ-CG 3.94Å; W246-R250 WeakPolarHBondContact O-CB 3.21Å; W246-R250 PolarHBondContact O-N 2.85Å; L247-R250 PolarHBondContact O-N 3.34Å; I248-R250 PolarHBondContact O-N 2.87Å; R250-S253 WeakPolarHBondContact O-CB 3.32Å; R250-S253 PolarHBondContact O-N 3.36Å; R250-I254 PolarHBondContact O-N 3.09Å; R250-I254 VanDerWaalsContact O-N 3.11Å |
| 251 | Y | 89.9 | Confident | 77.4 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.9 | -50.8 | 175.5 | 179.1 | -97.6 | 0 | 0 | 0 | 111.7 | F231 I233 L247 I248 S253 I254 H255 P274 F287 | F231-Y251 AromaticContact CE2-CD2 3.9Å; F231-Y251 HydrophobicContact CE2-CD2 3.9Å; F231-Y251 HydrophobicContact CZ-CD2 4.4Å; I233-Y251 HydrophobicContact CD1-CD2 4.48Å; I233-Y251 HydrophobicContact CG1-CD2 4.46Å; L247-Y251 VanDerWaalsContact O-CB 3.3Å; L247-Y251 WeakPolarHBondContact O-CB 3.42Å; L247-Y251 PolarHBondContact O-N 3.37Å; I248-Y251 PolarHBondContact O-N 3.37Å; Y251-S253 VanDerWaalsContact C-N 3.27Å; Y251-S253 PolarHBondContact O-N 3.14Å; Y251-I254 PolarHBondContact O-N 3.21Å; Y251-H255 AromaticContact CD2-CD2 3.43Å; Y251-H255 VanDerWaalsContact CD2-CD2 3.43Å; Y251-H255 WeakPolarHBondContact CD2-CD2 3.27Å; Y251-H255 AromaticContact CD2-NE2 3.67Å; Y251-H255 AromaticContact CE2-CD2 3.14Å; Y251-H255 WeakPolarHBondContact CE2-CD2 3.35Å; Y251-H255 AromaticContact CE2-NE2 3.2Å; Y251-H255 WeakPolarHBondContact CE2-NE2 3.47Å; Y251-H255 AromaticContact CG-CD2 3.98Å; Y251-H255 AromaticContact CZ-CD2 3.44Å; Y251-H255 VanDerWaalsContact CZ-CD2 3.44Å; Y251-H255 AromaticContact CZ-NE2 3.83Å; Y251-H255 PolarHBondContact O-CD2 3.29Å; Y251-H255 VanDerWaalsContact O-CD2 3.32Å; Y251-H255 PolarHBondContact O-N 2.86Å; Y251-H255 VanDerWaalsContact O-N 3.09Å; Y251-P274 HydrophobicContact CD1-CG 4.22Å; Y251-P274 HydrophobicContact CD2-CG 4.06Å; Y251-P274 HydrophobicContact CE1-CG 3.99Å; Y251-P274 HydrophobicContact CE2-CG 3.82Å; Y251-P274 HydrophobicContact CG-CG 4.27Å; Y251-P274 WeakPolarHBondContact OH-CD 3.48Å; Y251-F287 HydrophobicContact CD1-CB 3.82Å; Y251-F287 HydrophobicContact CD1-CD2 4.22Å; Y251-F287 HydrophobicContact CE1-CB 4.21Å; Y251-F287 HydrophobicContact CG-CD2 4.2Å |
| 252 | R | 85.9 | Confident | 75.6 | Confident | 73 Ų | 73 | 65.3 Ų | 65.3 | 28% | 0.275 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -36.8 | 177.3 | -70.2 | 177.2 | 71.4 | -162.9 | -10.3 | 111.8 | I248 K249 K256 F287 L290 E296 | I248-R252 WeakPolarHBondContact O-CB 3.43Å; I248-R252 WeakPolarHBondContact O-CG 3.3Å; I248-R252 PolarHBondContact O-N 3.34Å; K249-R252 PolarHBondContact O-N 3.25Å; R252-K256 WeakPolarHBondContact O-CB 3.32Å; R252-K256 PolarHBondContact O-N 3.42Å; R252-K256 VanDerWaalsContact O-N 3.08Å; R252-F287 WeakPolarHBondContact CD-O 3.47Å; R252-L290 PolarHBondContact NH1-O 3.22Å; R252-E296 IonicContact CZ-OE2 3.65Å; R252-E296 IonicContact NH1-OE1 2.84Å; R252-E296 PolarHBondContact NH1-OE1 2.88Å; R252-E296 VanDerWaalsContact NH1-OE1 3.14Å; R252-E296 IonicContact NH1-OE2 2.85Å; R252-E296 PolarHBondContact NH1-OE2 3Å; R252-E296 IonicContact NH2-OE2 2.77Å; R252-E296 PolarHBondContact NH2-OE2 3.09Å |
| 253 | S | 84.7 | Confident | 74.1 | Confident | 72 Ų | 72 | 70.6 Ų | 70.6 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64 | -53.3 | 177.7 | -171.4 | 0 | 0 | 0 | 0 | 112.7 | K249 R250 Y251 H255 K256 | K249-S253 VanDerWaalsContact O-CB 3.29Å; K249-S253 WeakPolarHBondContact O-CB 3.46Å; K249-S253 PolarHBondContact O-N 3.27Å; R250-S253 WeakPolarHBondContact O-CB 3.32Å; R250-S253 PolarHBondContact O-N 3.36Å; Y251-S253 VanDerWaalsContact C-N 3.27Å; Y251-S253 PolarHBondContact O-N 3.14Å; S253-H255 PolarHBondContact O-N 2.87Å; S253-K256 WeakPolarHBondContact O-CB 3.41Å; S253-K256 PolarHBondContact O-N 2.88Å |
| 254 | I | 83.1 | Confident | 72.5 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 23% | 0.226 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | -179.3 | -65.2 | -167.6 | 0 | 0 | 0 | 111.1 | F231 R250 Y251 K256 | F231-I254 HydrophobicContact CD1-CD1 3.81Å; F231-I254 HydrophobicContact CE1-CD1 3.55Å; F231-I254 HydrophobicContact CE1-CG1 4.36Å; R250-I254 PolarHBondContact O-N 3.09Å; R250-I254 VanDerWaalsContact O-N 3.11Å; Y251-I254 PolarHBondContact O-N 3.21Å; I254-K256 VanDerWaalsContact C-N 3.3Å; I254-K256 PolarHBondContact O-N 3.04Å |
| 255 | H | 76.8 | Confident | 70.3 | Confident | 28 Ų | 28 | 82.9 Ų | 82.9 | 13% | 0.13 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -76.3 | -14.2 | -177.1 | -70.7 | -65.6 | 0 | 0 | 0 | 114.3 | Y251 S253 H257 N258 | Y251-H255 AromaticContact CD2-CD2 3.43Å; Y251-H255 VanDerWaalsContact CD2-CD2 3.43Å; Y251-H255 WeakPolarHBondContact CD2-CD2 3.27Å; Y251-H255 AromaticContact CD2-NE2 3.67Å; Y251-H255 AromaticContact CE2-CD2 3.14Å; Y251-H255 WeakPolarHBondContact CE2-CD2 3.35Å; Y251-H255 AromaticContact CE2-NE2 3.2Å; Y251-H255 WeakPolarHBondContact CE2-NE2 3.47Å; Y251-H255 AromaticContact CG-CD2 3.98Å; Y251-H255 AromaticContact CZ-CD2 3.44Å; Y251-H255 VanDerWaalsContact CZ-CD2 3.44Å; Y251-H255 AromaticContact CZ-NE2 3.83Å; Y251-H255 PolarHBondContact O-CD2 3.29Å; Y251-H255 VanDerWaalsContact O-CD2 3.32Å; Y251-H255 PolarHBondContact O-N 2.86Å; Y251-H255 VanDerWaalsContact O-N 3.09Å; S253-H255 PolarHBondContact O-N 2.87Å; H255-H257 PolarHBondContact O-N 3Å; H255-N258 PolarHBondContact O-N 3.45Å |
| 256 | K | 70.2 | Confident | 68.3 | Low | 139 Ų | 139 | 83 Ų | 83 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -46.3 | -37.6 | -175.7 | -167.6 | 175 | -178.7 | 178.9 | 0 | 114.2 | R252 S253 I254 | R252-K256 WeakPolarHBondContact O-CB 3.32Å; R252-K256 PolarHBondContact O-N 3.42Å; R252-K256 VanDerWaalsContact O-N 3.08Å; S253-K256 WeakPolarHBondContact O-CB 3.41Å; S253-K256 PolarHBondContact O-N 2.88Å; I254-K256 VanDerWaalsContact C-N 3.3Å; I254-K256 PolarHBondContact O-N 3.04Å |
| 257 | H | 59.3 | Low | 66.1 | Low | 145 Ų | 145 | 93.6 Ų | 93.6 | 67% | 0.671 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -70.1 | -36.3 | 179.7 | -71.7 | -80.4 | 0 | 0 | 0 | 113.6 | H255 W259 N260 | H255-H257 PolarHBondContact O-N 3Å; H257-W259 VanDerWaalsContact C-N 3.29Å; H257-W259 PolarHBondContact O-N 2.86Å; H257-N260 PolarHBondContact O-N 3.34Å |
| 258 | N | 56.1 | Low | 63.8 | Low | 93 Ų | 93 | 100.3 Ų | 100.3 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.6 | -27 | 179.1 | -78.4 | 2.5 | 0 | 0 | 0 | 113.2 | H255 N260 T262 | H255-N258 PolarHBondContact O-N 3.45Å; N258-N260 VanDerWaalsContact C-N 3.29Å; N258-N260 PolarHBondContact O-N 3.32Å; N258-T262 PolarHBondContact O-OG1 3.11Å; N258-T262 VanDerWaalsContact O-OG1 3.08Å |
| 259 | W | 53.7 | Low | 62.2 | Low | 127 Ų | 127 | 107.2 Ų | 107.2 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -24.2 | 179.8 | -67.3 | 93.7 | 0 | 0 | 0 | 113.2 | H257 | H257-W259 VanDerWaalsContact C-N 3.29Å; H257-W259 PolarHBondContact O-N 2.86Å |
| 260 | N | 50.1 | Low | 60.6 | Low | 135 Ų | 135 | 107.8 Ų | 107.8 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -11.6 | -176.7 | -73.5 | 0.3 | 0 | 0 | 0 | 114.1 | H257 N258 | H257-N260 PolarHBondContact O-N 3.34Å; N258-N260 VanDerWaalsContact C-N 3.29Å; N258-N260 PolarHBondContact O-N 3.32Å |
| 261 | E | 48.7 | Very low | 59.2 | Low | 172 Ų | 172 | 110.4 Ų | 110.4 | 80% | 0.804 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 0.4 | -171.9 | -70.5 | -170.4 | 159 | 0 | 0 | 115.2 | ||
| 262 | T | 44.5 | Very low | 58.5 | Low | 47 Ų | 47 | 113.3 Ų | 113.3 | 29% | 0.288 | 54% | 0.544 | S | S | . | . | trans | -131.4 | 68.2 | -177.3 | 44.6 | 0 | 0 | 0 | 0 | 115.5 | N258 E264 | N258-T262 PolarHBondContact O-OG1 3.11Å; N258-T262 VanDerWaalsContact O-OG1 3.08Å; T262-E264 VanDerWaalsContact C-N 3.32Å | ||
| 263 | I | 49 | Very low | 58.5 | Low | 158 Ų | 158 | 110.4 Ų | 110.4 | 81% | 0.81 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -74.6 | -20.2 | 166.8 | -68.6 | 177.4 | 0 | 0 | 0 | 112.2 | ||
| 264 | E | 47.1 | Very low | 58.8 | Low | 181 Ų | 181 | 107 Ų | 107 | 85% | 0.846 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -101.9 | 5.1 | -168.7 | -65.2 | -173.7 | 144.8 | 0 | 0 | 116.4 | T262 | T262-E264 VanDerWaalsContact C-N 3.32Š|
| 265 | N | 43.6 | Very low | 59.2 | Low | 118 Ų | 118 | 108 Ų | 108 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -143.2 | 38.9 | -178.5 | -74.6 | -68 | 0 | 0 | 0 | 113.7 | ||
| 266 | S | 44 | Very low | 59.9 | Low | 42 Ų | 42 | 106.9 Ų | 106.9 | 29% | 0.294 | 51% | 0.508 | S | S | . | . | trans | -77.3 | -25.5 | -161.5 | 64.6 | 0 | 0 | 0 | 0 | 117.2 | D268 R269 | S266-D268 PolarHBondContact O-N 3.39Å; S266-R269 PolarHBondContact O-N 3.33Å | ||
| 267 | W | 42 | Very low | 60.8 | Low | 238 Ų | 238 | 105.2 Ų | 105.2 | 90% | 0.902 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -32.9 | -165.1 | -60.3 | 98.6 | 0 | 0 | 0 | 115.7 | ||
| 268 | D | 45.1 | Very low | 61.8 | Low | 141 Ų | 141 | 100.6 Ų | 100.6 | 75% | 0.754 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -16.4 | -179.3 | -77.6 | -36.6 | 0 | 0 | 0 | 114.6 | S266 N272 | S266-D268 PolarHBondContact O-N 3.39Å; D268-N272 PolarHBondContact O-ND2 3.37Å; D268-N272 VanDerWaalsContact O-ND2 3.15Å |
| 269 | R | 53.8 | Low | 62.8 | Low | 145 Ų | 145 | 97 Ų | 97 | 55% | 0.547 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -24.1 | -173.6 | -69.4 | -172.2 | -178.3 | -172.2 | 1.4 | 113.7 | S266 D271 | S266-R269 PolarHBondContact O-N 3.33Å; R269-D271 PolarHBondContact O-N 2.82Å |
| 270 | E | 54.6 | Low | 64 | Low | 98 Ų | 98 | 97.2 Ų | 97.2 | 46% | 0.458 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -73.4 | -23.9 | -176.9 | -76.9 | -168.3 | -164.6 | 0 | 0 | 114.4 | K286 | E270-K286 WeakPolarHBondContact O-CE 3.35Å; E270-K286 PolarHBondContact O-NZ 2.86Å |
| 271 | D | 61.7 | Low | 65.1 | Low | 105 Ų | 105 | 94.2 Ų | 94.2 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -20.9 | -174.1 | -122.7 | -21.5 | 0 | 0 | 0 | 114.2 | R269 Q273 K275 | R269-D271 PolarHBondContact O-N 2.82Å; D271-Q273 VanDerWaalsContact C-N 3.28Å; D271-Q273 PolarHBondContact O-N 3.5Å; D271-K275 PolarHBondContact O-NZ 2.88Å; D271-K275 IonicContact OD1-NZ 3.96Å; D271-K275 PolarHBondContact OD1-NZ 3.09Å |
| 272 | N | 75 | Confident | 66.7 | Low | 78 Ų | 78 | 86.4 Ų | 86.4 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 13.6 | -176.4 | -78.8 | -72.1 | 0 | 0 | 0 | 114.4 | K210 N234 D268 | K210-N272 PolarHBondContact NZ-OD1 3.43Å; K210-N272 VanDerWaalsContact NZ-OD1 3.17Å; N234-N272 WeakPolarHBondContact CB-O 3.29Å; N234-N272 PolarHBondContact ND2-O 3.11Å; D268-N272 PolarHBondContact O-ND2 3.37Å; D268-N272 VanDerWaalsContact O-ND2 3.15Å |
| 273 | Q | 85.5 | Confident | 68.6 | Low | 13 Ų | 13 | 86.3 Ų | 86.3 | 6% | 0.061 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -83.5 | 149.7 | 179.2 | -59.7 | -172.5 | 30.9 | 0 | 0 | 111.6 | D271 K275 K286 S288 | D271-Q273 VanDerWaalsContact C-N 3.28Å; D271-Q273 PolarHBondContact O-N 3.5Å; Q273-K275 PolarHBondContact O-N 3.33Å; Q273-K286 HydrophobicContact CB-CB 4.39Å; Q273-K286 HydrophobicContact CB-CD 4.42Å; Q273-S288 PolarHBondContact OE1-OG 3.02Å |
| 274 | P | 91.6 | Very high | 70.2 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 42% | 0.419 | C | S | . | . | trans | -61.3 | 130.9 | 172 | 26 | -32.4 | 0 | 0 | 0 | 110.4 | I233 Y251 K286 F287 | I233-P274 HydrophobicContact CD1-CB 4.31Å; I233-P274 HydrophobicContact CD1-CG 4.22Å; I233-P274 HydrophobicContact CG1-CB 4.16Å; I233-P274 HydrophobicContact CG1-CG 4.12Å; Y251-P274 HydrophobicContact CD1-CG 4.22Å; Y251-P274 HydrophobicContact CD2-CG 4.06Å; Y251-P274 HydrophobicContact CE1-CG 3.99Å; Y251-P274 HydrophobicContact CE2-CG 3.82Å; Y251-P274 HydrophobicContact CG-CG 4.27Å; Y251-P274 WeakPolarHBondContact OH-CD 3.48Å; P274-K286 WeakPolarHBondContact O-CA 3.47Å; P274-F287 HydrophobicContact CB-CD1 4.06Å; P274-F287 HydrophobicContact CB-CD2 4.04Å; P274-F287 HydrophobicContact CB-CE1 4.04Å; P274-F287 HydrophobicContact CB-CE2 4.03Å; P274-F287 HydrophobicContact CB-CG 4.06Å; P274-F287 HydrophobicContact CB-CZ 4.02Å; P274-F287 HydrophobicContact CG-CB 4Å; P274-F287 HydrophobicContact CG-CD1 4.14Å; P274-F287 HydrophobicContact CG-CD2 3.53Å; P274-F287 HydrophobicContact CG-CE2 3.97Å; P274-F287 HydrophobicContact CG-CG 3.63Å; P274-F287 HydrophobicContact CG-CZ 4.42Å; P274-F287 WeakPolarHBondContact O-CD1 3.43Å; P274-F287 PolarHBondContact O-N 3.37Å | ||
| 275 | K | 91.2 | Very high | 72 | Confident | 65 Ų | 65 | 74.9 Ų | 74.9 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -117.2 | 144 | -177.6 | -70.4 | 158.6 | 179.3 | 164.7 | 0 | 109 | D271 Q273 H285 K286 | D271-K275 PolarHBondContact O-NZ 2.88Å; D271-K275 IonicContact OD1-NZ 3.96Å; D271-K275 PolarHBondContact OD1-NZ 3.09Å; Q273-K275 PolarHBondContact O-N 3.33Å; K275-H285 CarbonylContact C-O 3.26Å; K275-H285 VanDerWaalsContact CA-O 3.26Å; K275-H285 WeakPolarHBondContact CA-O 3.3Å; K275-K286 HydrophobicContact CG-CG 4.11Å |
| 276 | C | 91.2 | Very high | 74.1 | Confident | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.034 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 140.7 | 173.5 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | C240 L282 A283 G284 H285 L290 | C240-C276 HydrophobicContact CB-CB 3.81Å; C240-C276 WeakPolarHBondContact CB-SG 3.4Å; C240-C276 VanDerWaalsContact SG-CA 3.6Å; C240-C276 WeakPolarHBondContact SG-CB 3.14Å; C240-C276 CovalentContact SG-SG 2.02Å; C240-C276 PolarHBondContact SG-SG 2.94Å; C276-L282 HydrophobicContact CB-CB 4.19Å; C276-L282 WeakPolarHBondContact CB-O 3.43Å; C276-A283 WeakPolarHBondContact O-CA 3.33Å; C276-G284 PolarHBondContact O-N 3.03Å; C276-H285 PolarHBondContact N-O 2.9Å; C276-L290 VanDerWaalsContact SG-CD1 3.52Å |
| 277 | L | 89.8 | Confident | 76.2 | Confident | 103 Ų | 103 | 69.2 Ų | 69.2 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -34.3 | 169.8 | -177.1 | 64.6 | 0 | 0 | 0 | 111.7 | P237 W238 A283 | P237-L277 HydrophobicContact CB-CD2 3.48Å; P237-L277 VanDerWaalsContact CB-CD2 3.48Å; W238-L277 PolarHBondContact O-N 3.38Å; L277-A283 WeakPolarHBondContact O-CB 3.49Å |
| 278 | T | 80.2 | Confident | 77.9 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 158.5 | 175.9 | 47.6 | 0 | 0 | 0 | 0 | 109.4 | W238 H239 C240 | W238-T278 PolarHBondContact O-N 2.98Å; W238-T278 VanDerWaalsContact O-N 3.17Å; H239-T278 CarbonylContact C-O 3.6Å; H239-T278 VanDerWaalsContact CA-O 3.3Å; H239-T278 WeakPolarHBondContact CA-O 3.14Å; H239-T278 WeakPolarHBondContact CA-OG1 3.26Å; H239-T278 WeakPolarHBondContact CB-OG1 3.26Å; H239-T278 WeakPolarHBondContact ND1-CB 3.12Å; H239-T278 PolarHBondContact ND1-OG1 3.18Å; C240-T278 PolarHBondContact N-O 3.35Å |
| 279 | P | 77.3 | Confident | 79.4 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | S | Bend | cis | -59.4 | 161.9 | -11 | 28.6 | -37.9 | 0 | 0 | 0 | 113 | C240 S281 L282 A283 E423 | C240-P279 WeakPolarHBondContact O-CD 3.49Å; P279-S281 PolarHBondContact O-N 3.17Å; P279-S281 VanDerWaalsContact O-N 3.09Å; P279-L282 HydrophobicContact CG-CB 4.29Å; P279-L282 HydrophobicContact CG-CD1 3.97Å; P279-L282 HydrophobicContact CG-CG 4.01Å; P279-L282 PolarHBondContact O-N 3.06Å; P279-A283 PolarHBondContact O-N 3.05Å; P279-A283 VanDerWaalsContact O-N 3.12Å; P279-E423 WeakPolarHBondContact CA-OE1 3.28Å; P279-E423 WeakPolarHBondContact CB-OE1 3.5Å; P279-E423 WeakPolarHBondContact CB-OE2 3.28Å |
| 280 | H | 78.8 | Confident | 80.6 | Confident | 132 Ų | 132 | 48.7 Ų | 48.7 | 61% | 0.611 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.7 | -177.3 | -176.4 | 63 | 0 | 0 | 0 | 113.3 | L282 K420 | H280-L282 VanDerWaalsContact C-N 3.29Å; H280-L282 PolarHBondContact O-N 3.04Å; H280-K420 PolarHBondContact CD2-NZ 3.34Å; H280-K420 PolarHBondContact NE2-NZ 3.36Å |
| 281 | S | 73.1 | Confident | 81.5 | Confident | 71 Ų | 71 | 44.6 Ų | 44.6 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.6 | 172.3 | 46.4 | 0 | 0 | 0 | 0 | 114.5 | P279 | P279-S281 PolarHBondContact O-N 3.17Å; P279-S281 VanDerWaalsContact O-N 3.09Å |
| 282 | L | 81.6 | Confident | 82.1 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -2.3 | 179.2 | -59.5 | -179.3 | 0 | 0 | 0 | 112.8 | C240 C276 P279 H280 G284 H285 L290 F312 L314 | C240-L282 HydrophobicContact CB-CD1 3.98Å; C240-L282 VanDerWaalsContact O-CD1 3.25Å; C240-L282 WeakPolarHBondContact O-CD1 3.47Å; C276-L282 HydrophobicContact CB-CB 4.19Å; C276-L282 WeakPolarHBondContact CB-O 3.43Å; P279-L282 HydrophobicContact CG-CB 4.29Å; P279-L282 HydrophobicContact CG-CD1 3.97Å; P279-L282 HydrophobicContact CG-CG 4.01Å; P279-L282 PolarHBondContact O-N 3.06Å; H280-L282 VanDerWaalsContact C-N 3.29Å; H280-L282 PolarHBondContact O-N 3.04Å; L282-G284 PolarHBondContact O-N 3.3Å; L282-H285 WeakPolarHBondContact O-CB 3.38Å; L282-H285 PolarHBondContact O-N 3.13Å; L282-L290 HydrophobicContact CD2-CD2 4.26Å; L282-F312 HydrophobicContact CD2-CB 3.65Å; L282-F312 HydrophobicContact CD2-CD1 3.4Å; L282-F312 VanDerWaalsContact CD2-CD1 3.4Å; L282-F312 HydrophobicContact CD2-CE1 4.21Å; L282-F312 HydrophobicContact CD2-CG 3.68Å; L282-L314 HydrophobicContact CD1-CD2 4.07Å |
| 283 | A | 83.8 | Confident | 81.7 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 37% | 0.372 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 122.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C276 L277 P279 | C276-A283 WeakPolarHBondContact O-CA 3.33Å; L277-A283 WeakPolarHBondContact O-CB 3.49Å; P279-A283 PolarHBondContact O-N 3.05Å; P279-A283 VanDerWaalsContact O-N 3.12Å |
| 284 | G | 83.9 | Confident | 80.8 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 55% | 0.546 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -17 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | C276 L282 | C276-G284 PolarHBondContact O-N 3.03Å; L282-G284 PolarHBondContact O-N 3.3Å |
| 285 | H | 84.9 | Confident | 79.4 | Confident | 47 Ų | 47 | 46.7 Ų | 46.7 | 22% | 0.218 | 27% | 0.272 | C | S | . | . | trans | -68.4 | 139.8 | 178 | -77.9 | -85.2 | 0 | 0 | 0 | 112.1 | K275 C276 L282 L290 F312 | K275-H285 CarbonylContact C-O 3.26Å; K275-H285 VanDerWaalsContact CA-O 3.26Å; K275-H285 WeakPolarHBondContact CA-O 3.3Å; C276-H285 PolarHBondContact N-O 2.9Å; L282-H285 WeakPolarHBondContact O-CB 3.38Å; L282-H285 PolarHBondContact O-N 3.13Å; H285-L290 HydrophobicContact CB-CD2 4.17Å; H285-F312 AromaticContact CE1-CD2 3.91Å; H285-F312 AromaticContact CE1-CE2 3.32Å; H285-F312 WeakPolarHBondContact CE1-CE2 3.37Å; H285-F312 AromaticContact CE1-CZ 3.88Å; H285-F312 AromaticContact NE2-CE2 3.55Å; H285-F312 AromaticContact NE2-CZ 3.63Å | ||
| 286 | K | 86.8 | Confident | 78.1 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 152.4 | 177.5 | -52.6 | 175.8 | -171.4 | -176.5 | 0 | 109.8 | E270 Q273 P274 K275 S288 D289 | E270-K286 WeakPolarHBondContact O-CE 3.35Å; E270-K286 PolarHBondContact O-NZ 2.86Å; Q273-K286 HydrophobicContact CB-CB 4.39Å; Q273-K286 HydrophobicContact CB-CD 4.42Å; P274-K286 WeakPolarHBondContact O-CA 3.47Å; K275-K286 HydrophobicContact CG-CG 4.11Å; K286-S288 PolarHBondContact O-N 3.25Å; K286-S288 VanDerWaalsContact O-N 3.09Å; K286-D289 VanDerWaalsContact CB-OD2 3.31Å; K286-D289 WeakPolarHBondContact CB-OD2 3.46Å; K286-D289 PolarHBondContact N-OD2 3.22Å; K286-D289 WeakPolarHBondContact O-CB 3.42Å; K286-D289 PolarHBondContact O-N 3.07Å |
| 287 | F | 87.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -23.9 | 177.3 | -79.8 | 21.1 | 0 | 0 | 0 | 114.1 | I233 W238 L244 L247 I248 Y251 R252 P274 L290 | I233-F287 HydrophobicContact CD1-CD2 4.4Å; I233-F287 HydrophobicContact CD1-CE2 3.75Å; W238-F287 HydrophobicContact CB-CE1 4.24Å; W238-F287 HydrophobicContact CB-CZ 4.3Å; W238-F287 AromaticContact CD1-CZ 3.92Å; W238-F287 HydrophobicContact CD2-CZ 4.11Å; W238-F287 HydrophobicContact CG-CE1 4.14Å; W238-F287 AromaticContact CG-CZ 3.83Å; W238-F287 HydrophobicContact CG-CZ 3.83Å; L244-F287 HydrophobicContact CD2-CE1 4.29Å; L244-F287 HydrophobicContact CD2-CZ 3.78Å; L247-F287 HydrophobicContact CD2-CE2 4.24Å; L247-F287 HydrophobicContact CG-CE2 4.29Å; I248-F287 HydrophobicContact CB-CD2 4.28Å; I248-F287 HydrophobicContact CG1-CD1 4.19Å; I248-F287 HydrophobicContact CG1-CD2 3.73Å; I248-F287 HydrophobicContact CG1-CE1 4.29Å; I248-F287 HydrophobicContact CG1-CE2 3.83Å; I248-F287 HydrophobicContact CG1-CG 3.92Å; I248-F287 HydrophobicContact CG1-CZ 4.13Å; I248-F287 HydrophobicContact CG2-CB 4.2Å; I248-F287 HydrophobicContact CG2-CG 4.39Å; I248-F287 WeakPolarHBondContact CG2-O 3.46Å; Y251-F287 HydrophobicContact CD1-CB 3.82Å; Y251-F287 HydrophobicContact CD1-CD2 4.22Å; Y251-F287 HydrophobicContact CE1-CB 4.21Å; Y251-F287 HydrophobicContact CG-CD2 4.2Å; R252-F287 WeakPolarHBondContact CD-O 3.47Å; P274-F287 HydrophobicContact CB-CD1 4.06Å; P274-F287 HydrophobicContact CB-CD2 4.04Å; P274-F287 HydrophobicContact CB-CE1 4.04Å; P274-F287 HydrophobicContact CB-CE2 4.03Å; P274-F287 HydrophobicContact CB-CG 4.06Å; P274-F287 HydrophobicContact CB-CZ 4.02Å; P274-F287 HydrophobicContact CG-CB 4Å; P274-F287 HydrophobicContact CG-CD1 4.14Å; P274-F287 HydrophobicContact CG-CD2 3.53Å; P274-F287 HydrophobicContact CG-CE2 3.97Å; P274-F287 HydrophobicContact CG-CG 3.63Å; P274-F287 HydrophobicContact CG-CZ 4.42Å; P274-F287 WeakPolarHBondContact O-CD1 3.43Å; P274-F287 PolarHBondContact O-N 3.37Å; F287-L290 HydrophobicContact CD1-CD1 4.13Å |
| 288 | S | 78.6 | Confident | 75 | Confident | 32 Ų | 32 | 49 Ų | 49 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -27.7 | 174.1 | 42.1 | 0 | 0 | 0 | 0 | 113.7 | Q273 K286 | Q273-S288 PolarHBondContact OE1-OG 3.02Å; K286-S288 PolarHBondContact O-N 3.25Å; K286-S288 VanDerWaalsContact O-N 3.09Å |
| 289 | D | 77.2 | Confident | 73.8 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 32% | 0.316 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -13.1 | 179.9 | -49.6 | -41.1 | 0 | 0 | 0 | 112.5 | K286 W305 | K286-D289 VanDerWaalsContact CB-OD2 3.31Å; K286-D289 WeakPolarHBondContact CB-OD2 3.46Å; K286-D289 PolarHBondContact N-OD2 3.22Å; K286-D289 WeakPolarHBondContact O-CB 3.42Å; K286-D289 PolarHBondContact O-N 3.07Å; D289-W305 VanDerWaalsContact O-CH2 3.3Å; D289-W305 WeakPolarHBondContact O-CH2 3.34Å |
| 290 | L | 78.6 | Confident | 72.4 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -87.9 | 135.7 | -173.6 | -61.3 | 172.3 | 0 | 0 | 0 | 112.1 | C240 I248 R252 C276 L282 H285 F287 L314 | C240-L290 HydrophobicContact CB-CD1 4.47Å; I248-L290 HydrophobicContact CD1-CD1 3.69Å; I248-L290 HydrophobicContact CG1-CD1 4.33Å; I248-L290 HydrophobicContact CG2-CB 4.22Å; I248-L290 HydrophobicContact CG2-CD1 4.45Å; R252-L290 PolarHBondContact NH1-O 3.22Å; C276-L290 VanDerWaalsContact SG-CD1 3.52Å; L282-L290 HydrophobicContact CD2-CD2 4.26Å; H285-L290 HydrophobicContact CB-CD2 4.17Å; F287-L290 HydrophobicContact CD1-CD1 4.13Å; L290-L314 HydrophobicContact CD1-CD2 4.49Å |
| 291 | I | 73.2 | Confident | 71 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 124.2 | 178.6 | -76.8 | 162.7 | 0 | 0 | 0 | 109.7 | D293 E296 W305 P311 | I291-D293 VanDerWaalsContact CG2-O 3.31Å; I291-D293 WeakPolarHBondContact CG2-O 3.31Å; I291-E296 HydrophobicContact CG2-CB 4.25Å; I291-W305 HydrophobicContact CD1-CZ2 4.29Å; I291-P311 HydrophobicContact CD1-CB 3.22Å |
| 292 | T | 73.4 | Confident | 69.8 | Low | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.104 | 34% | 0.338 | C | S | . | . | trans | -108.5 | -15.7 | -169.1 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | N245 I248 K249 E296 | N245-T292 PolarHBondContact ND2-O 3.15Å; N245-T292 VanDerWaalsContact ND2-O 3.15Å; N245-T292 WeakPolarHBondContact OD1-CA 3.49Å; N245-T292 WeakPolarHBondContact OD1-CB 3.26Å; N245-T292 PolarHBondContact OD1-O 3.11Å; I248-T292 HydrophobicContact CB-CG2 4.1Å; I248-T292 HydrophobicContact CG2-CG2 3.47Å; I248-T292 VanDerWaalsContact CG2-CG2 3.47Å; K249-T292 WeakPolarHBondContact CE-O 3.45Å; K249-T292 VanDerWaalsContact CE-OG1 3.29Å; K249-T292 WeakPolarHBondContact CE-OG1 3.43Å; K249-T292 HydrophobicContact CG-CG2 3.95Å; K249-T292 WeakPolarHBondContact CG-OG1 3.3Å; K249-T292 PolarHBondContact NZ-O 3.4Å; T292-E296 WeakPolarHBondContact CA-OE1 3.43Å; T292-E296 WeakPolarHBondContact CB-OE1 3.27Å; T292-E296 PolarHBondContact N-OE1 3.05Å; T292-E296 PolarHBondContact OG1-OE1 2.84Å | ||
| 293 | D | 67.2 | Low | 68.1 | Low | 77 Ų | 77 | 60.5 Ų | 60.5 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -141.1 | 138.2 | 174.8 | -179.8 | 1.4 | 0 | 0 | 0 | 109.1 | I291 S295 E296 | I291-D293 VanDerWaalsContact CG2-O 3.31Å; I291-D293 WeakPolarHBondContact CG2-O 3.31Å; D293-S295 PolarHBondContact O-N 2.85Å; D293-S295 PolarHBondContact OD1-N 2.86Å; D293-S295 WeakPolarHBondContact OD2-CB 3.35Å; D293-S295 PolarHBondContact OD2-OG 3.23Å; D293-E296 HydrophobicContact CB-CG 4.31Å; D293-E296 PolarHBondContact N-OE1 2.68Å; D293-E296 VanDerWaalsContact N-OE1 3.17Å; D293-E296 WeakPolarHBondContact O-CB 3.47Å; D293-E296 PolarHBondContact O-N 2.77Å |
| 294 | L | 66 | Low | 66.2 | Low | 94 Ų | 94 | 65.2 Ų | 65.2 | 49% | 0.492 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -27.4 | 174.8 | -67.7 | 170.7 | 0 | 0 | 0 | 111.7 | E296 A297 Y298 I313 | L294-E296 PolarHBondContact O-N 2.65Å; L294-A297 WeakPolarHBondContact O-CB 3.22Å; L294-A297 PolarHBondContact O-N 3.06Å; L294-A297 VanDerWaalsContact O-N 3.12Å; L294-Y298 VanDerWaalsContact O-CD2 3.31Å; L294-Y298 WeakPolarHBondContact O-CD2 3.49Å; L294-I313 HydrophobicContact CD2-CD1 3.72Å; L294-I313 HydrophobicContact CD2-CG1 4.26Å |
| 295 | S | 62.6 | Low | 64.4 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 36% | 0.357 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.2 | -29.7 | 173.6 | 78.2 | 0 | 0 | 0 | 0 | 113.1 | D293 A297 Y298 N299 | D293-S295 PolarHBondContact O-N 2.85Å; D293-S295 PolarHBondContact OD1-N 2.86Å; D293-S295 WeakPolarHBondContact OD2-CB 3.35Å; D293-S295 PolarHBondContact OD2-OG 3.23Å; S295-A297 VanDerWaalsContact C-N 3.34Å; S295-Y298 PolarHBondContact O-N 3.33Å; S295-N299 WeakPolarHBondContact O-CB 3.37Å; S295-N299 PolarHBondContact O-N 2.89Å; S295-N299 PolarHBondContact O-ND2 3.35Å |
| 296 | E | 64.3 | Low | 62.3 | Low | 53 Ų | 53 | 73.8 Ų | 73.8 | 25% | 0.248 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -69.2 | -33.3 | 176.8 | -58.1 | -178.6 | -115.2 | 0 | 0 | 112.1 | R252 I291 T292 D293 L294 Y298 N299 | R252-E296 IonicContact CZ-OE2 3.65Å; R252-E296 IonicContact NH1-OE1 2.84Å; R252-E296 PolarHBondContact NH1-OE1 2.88Å; R252-E296 VanDerWaalsContact NH1-OE1 3.14Å; R252-E296 IonicContact NH1-OE2 2.85Å; R252-E296 PolarHBondContact NH1-OE2 3Å; R252-E296 IonicContact NH2-OE2 2.77Å; R252-E296 PolarHBondContact NH2-OE2 3.09Å; I291-E296 HydrophobicContact CG2-CB 4.25Å; T292-E296 WeakPolarHBondContact CA-OE1 3.43Å; T292-E296 WeakPolarHBondContact CB-OE1 3.27Å; T292-E296 PolarHBondContact N-OE1 3.05Å; T292-E296 PolarHBondContact OG1-OE1 2.84Å; D293-E296 HydrophobicContact CB-CG 4.31Å; D293-E296 PolarHBondContact N-OE1 2.68Å; D293-E296 VanDerWaalsContact N-OE1 3.17Å; D293-E296 WeakPolarHBondContact O-CB 3.47Å; D293-E296 PolarHBondContact O-N 2.77Å; L294-E296 PolarHBondContact O-N 2.65Å; E296-Y298 VanDerWaalsContact C-N 3.26Å; E296-Y298 PolarHBondContact O-N 2.75Å; E296-N299 PolarHBondContact O-N 2.8Å |
| 297 | A | 59.6 | Low | 60.1 | Low | 22 Ų | 22 | 80.9 Ų | 80.9 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.8 | -24.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L294 S295 P311 | L294-A297 WeakPolarHBondContact O-CB 3.22Å; L294-A297 PolarHBondContact O-N 3.06Å; L294-A297 VanDerWaalsContact O-N 3.12Å; S295-A297 VanDerWaalsContact C-N 3.34Å; A297-P311 HydrophobicContact CB-CB 4.38Å; A297-P311 HydrophobicContact CB-CG 4.43Å |
| 298 | Y | 55.7 | Low | 58 | Low | 148 Ų | 148 | 86.2 Ų | 86.2 | 58% | 0.58 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -96.9 | -15.9 | 177.9 | -67.4 | -75.1 | 0 | 0 | 0 | 114 | L294 S295 E296 L772 | L294-Y298 VanDerWaalsContact O-CD2 3.31Å; L294-Y298 WeakPolarHBondContact O-CD2 3.49Å; S295-Y298 PolarHBondContact O-N 3.33Å; E296-Y298 VanDerWaalsContact C-N 3.26Å; E296-Y298 PolarHBondContact O-N 2.75Å; Y298-L772 HydrophobicContact CE1-CD2 3.78Å; Y298-L772 HydrophobicContact CE2-CD2 4.02Å; Y298-L772 VanDerWaalsContact CZ-CD2 3.43Å; Y298-L772 VanDerWaalsContact OH-CD2 3.3Å; Y298-L772 WeakPolarHBondContact OH-CD2 3.37Å |
| 299 | N | 55.8 | Low | 56.6 | Low | 116 Ų | 116 | 89.2 Ų | 89.2 | 62% | 0.62 | 48% | 0.484 | S | S | * | . | trans | -100.6 | 17.9 | -174 | -76.6 | -44.1 | 0 | 0 | 0 | 114.5 | S295 E296 V301 | S295-N299 WeakPolarHBondContact O-CB 3.37Å; S295-N299 PolarHBondContact O-N 2.89Å; S295-N299 PolarHBondContact O-ND2 3.35Å; E296-N299 PolarHBondContact O-N 2.8Å; N299-V301 VanDerWaalsContact C-N 3.33Å; N299-V301 PolarHBondContact O-N 2.95Å | ||
| 300 | S | 48 | Very low | 55.3 | Low | 67 Ų | 67 | 89.9 Ų | 89.9 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | trans | -76.2 | 69.8 | -169.6 | 69.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 301 | V | 49.9 | Very low | 54.1 | Low | 138 Ų | 138 | 92.2 Ų | 92.2 | 84% | 0.836 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -92.9 | -14.1 | 167.2 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | N299 | N299-V301 VanDerWaalsContact C-N 3.33Å; N299-V301 PolarHBondContact O-N 2.95Å |
| 302 | T | 46.6 | Very low | 53.5 | Low | 135 Ų | 135 | 93.1 Ų | 93.1 | 83% | 0.828 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -135 | 20.9 | -166.3 | 50.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 303 | S | 45.5 | Very low | 53.1 | Low | 61 Ų | 61 | 96.2 Ų | 96.2 | 43% | 0.427 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -131.7 | 145.9 | 171.8 | 43.1 | 0 | 0 | 0 | 0 | 112.6 | W305 | S303-W305 PolarHBondContact O-N 3.2Å; S303-W305 PolarHBondContact OG-NE1 3.35Å |
| 304 | T | 44.7 | Very low | 53.4 | Low | 145 Ų | 145 | 93.3 Ų | 93.3 | 89% | 0.89 | 51% | 0.51 | S | S | * | . | trans | -74.7 | 35.9 | -166 | 35.5 | 0 | 0 | 0 | 0 | 115.2 | Q306 | T304-Q306 PolarHBondContact O-N 3.04Š| ||
| 305 | W | 46.9 | Very low | 53.5 | Low | 98 Ų | 98 | 94.1 Ų | 94.1 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | trans | -67.3 | 6.9 | 175 | -60.3 | 105.4 | 0 | 0 | 0 | 114.4 | D289 I291 S303 K307 | D289-W305 VanDerWaalsContact O-CH2 3.3Å; D289-W305 WeakPolarHBondContact O-CH2 3.34Å; I291-W305 HydrophobicContact CD1-CZ2 4.29Å; S303-W305 PolarHBondContact O-N 3.2Å; S303-W305 PolarHBondContact OG-NE1 3.35Å; W305-K307 PolarHBondContact O-N 2.85Å | ||
| 306 | Q | 39.4 | Very low | 53.9 | Low | 182 Ų | 182 | 92.5 Ų | 92.5 | 85% | 0.85 | 50% | 0.496 | S | S | * | . | trans | -74.3 | 46.8 | 172.6 | -69.8 | -170.3 | -21.8 | 0 | 0 | 113.6 | T304 | T304-Q306 PolarHBondContact O-N 3.04Š| ||
| 307 | K | 42 | Very low | 54.1 | Low | 189 Ų | 189 | 91.4 Ų | 91.4 | 82% | 0.822 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 177.4 | 122.8 | 146.5 | -98.6 | 153.1 | -175 | 176 | 0 | 111.3 | W305 | W305-K307 PolarHBondContact O-N 2.85Š|
| 308 | S | 43.2 | Very low | 54.7 | Low | 113 Ų | 113 | 93.4 Ų | 93.4 | 79% | 0.79 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 95.3 | -12.3 | 143.1 | 77.3 | 0 | 0 | 0 | 0 | 123.3 | ||
| 309 | N | 48.7 | Very low | 56 | Low | 94 Ų | 94 | 87 Ų | 87 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | trans | -141.4 | 144.7 | 171.7 | -85.6 | -41.4 | 0 | 0 | 0 | 114.1 | F312 | N309-F312 HydrophobicContact CB-CE2 4.06Å; N309-F312 HydrophobicContact CB-CZ 4.29Å | ||
| 310 | P | 50 | Low | 57.4 | Low | 74 Ų | 74 | 86 Ų | 86 | 48% | 0.481 | 47% | 0.473 | S | S | . | . | trans | -70.8 | 161 | 173.6 | 31.5 | -35.4 | 0 | 0 | 0 | 112 | F312 | P310-F312 PolarHBondContact O-N 2.95Š| ||
| 311 | P | 53.9 | Low | 59.3 | Low | 49 Ų | 49 | 84.7 Ų | 84.7 | 32% | 0.318 | 46% | 0.46 | S | S | . | . | trans | -59.6 | 122.2 | -179.8 | 24.7 | -36.1 | 0 | 0 | 0 | 112.6 | I291 A297 I313 L772 | I291-P311 HydrophobicContact CD1-CB 3.22Å; A297-P311 HydrophobicContact CB-CB 4.38Å; A297-P311 HydrophobicContact CB-CG 4.43Å; P311-I313 PolarHBondContact O-N 2.99Å; P311-L772 HydrophobicContact CG-CD1 4.05Å | ||
| 312 | F | 60.2 | Low | 60.9 | Low | 32 Ų | 32 | 80 Ų | 80 | 14% | 0.14 | 43% | 0.429 | C | S | . | . | trans | -78.9 | 102.2 | 177.1 | -69.2 | -76.8 | 0 | 0 | 0 | 111 | L282 H285 N309 P310 | L282-F312 HydrophobicContact CD2-CB 3.65Å; L282-F312 HydrophobicContact CD2-CD1 3.4Å; L282-F312 VanDerWaalsContact CD2-CD1 3.4Å; L282-F312 HydrophobicContact CD2-CE1 4.21Å; L282-F312 HydrophobicContact CD2-CG 3.68Å; H285-F312 AromaticContact CE1-CD2 3.91Å; H285-F312 AromaticContact CE1-CE2 3.32Å; H285-F312 WeakPolarHBondContact CE1-CE2 3.37Å; H285-F312 AromaticContact CE1-CZ 3.88Å; H285-F312 AromaticContact NE2-CE2 3.55Å; H285-F312 AromaticContact NE2-CZ 3.63Å; N309-F312 HydrophobicContact CB-CE2 4.06Å; N309-F312 HydrophobicContact CB-CZ 4.29Å; P310-F312 PolarHBondContact O-N 2.95Å | ||
| 313 | I | 65.1 | Low | 62.8 | Low | 82 Ų | 82 | 75.8 Ų | 75.8 | 42% | 0.421 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -84.4 | 128 | 173.4 | -60.4 | 166.2 | 0 | 0 | 0 | 108.8 | L294 P311 Y315 L772 | L294-I313 HydrophobicContact CD2-CD1 3.72Å; L294-I313 HydrophobicContact CD2-CG1 4.26Å; P311-I313 PolarHBondContact O-N 2.99Å; I313-Y315 PolarHBondContact O-N 3.28Å; I313-L772 HydrophobicContact CD1-CD1 4.14Å |
| 314 | L | 74.2 | Confident | 64.8 | Low | 17 Ų | 17 | 73.7 Ų | 73.7 | 9% | 0.089 | 38% | 0.382 | C | S | . | . | trans | -62.7 | 114.3 | 173.1 | -64.5 | 169.5 | 0 | 0 | 0 | 110.1 | C240 N245 I248 L282 L290 | C240-L314 HydrophobicContact CB-CD2 4.06Å; C240-L314 WeakPolarHBondContact O-CD2 3.41Å; N245-L314 HydrophobicContact CB-CD1 3.81Å; I248-L314 HydrophobicContact CD1-CD1 3.63Å; I248-L314 HydrophobicContact CD1-CD2 4.03Å; I248-L314 HydrophobicContact CD1-CG 4.47Å; L282-L314 HydrophobicContact CD1-CD2 4.07Å; L290-L314 HydrophobicContact CD1-CD2 4.49Å | ||
| 315 | Y | 67.9 | Low | 66.8 | Low | 110 Ų | 110 | 68.3 Ų | 68.3 | 43% | 0.431 | 35% | 0.348 | S | S | . | . | trans | -102.2 | 153 | -175.6 | -176.9 | -107 | 0 | 0 | 0 | 112.4 | C242 I313 P317 | C242-Y315 PolarHBondContact N-O 2.77Å; I313-Y315 PolarHBondContact O-N 3.28Å; Y315-P317 HydrophobicContact CE1-CB 3.86Å; Y315-P317 HydrophobicContact CE1-CG 4.24Å | ||
| 316 | C | 70.7 | Confident | 68.6 | Low | 18 Ų | 18 | 65.4 Ų | 65.4 | 12% | 0.122 | 34% | 0.341 | C | S | . | . | trans | -150.3 | 115.7 | 176.5 | -93.3 | 0 | 0 | 0 | 0 | 107.6 | C242 P318 I450 | C242-C316 VanDerWaalsContact CA-SG 3.6Å; C242-C316 HydrophobicContact CB-CB 3.61Å; C242-C316 WeakPolarHBondContact CB-SG 3.43Å; C242-C316 PolarHBondContact N-SG 2.85Å; C242-C316 WeakPolarHBondContact SG-CB 3.46Å; C242-C316 CovalentContact SG-SG 2.02Å; C242-C316 PolarHBondContact SG-SG 2.84Å; C316-P318 WeakPolarHBondContact O-CD 3.47Å; C316-I450 HydrophobicContact CB-CD1 3.49Å; C316-I450 VanDerWaalsContact CB-CD1 3.49Å; C316-I450 HydrophobicContact CB-CG1 3.76Å; C316-I450 HydrophobicContact CB-CG2 4.46Å | ||
| 317 | P | 67.1 | Low | 70.7 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 118.4 | 175.4 | 28 | -30.4 | 0 | 0 | 0 | 109.5 | Y315 I424 I450 | Y315-P317 HydrophobicContact CE1-CB 3.86Å; Y315-P317 HydrophobicContact CE1-CG 4.24Å; P317-I424 HydrophobicContact CG-CG1 4.33Å; P317-I450 VanDerWaalsContact O-CD1 3.23Å; P317-I450 WeakPolarHBondContact O-CD1 3.48Å |
| 318 | P | 72.8 | Confident | 72.5 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 42% | 0.422 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 153.6 | 171.9 | 29 | -35.2 | 0 | 0 | 0 | 109.8 | C316 Q320 I450 | C316-P318 WeakPolarHBondContact O-CD 3.47Å; P318-Q320 PolarHBondContact O-N 3.47Å; P318-I450 HydrophobicContact CB-CG2 4.19Å |
| 319 | P | 83.7 | Confident | 73.9 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 138.6 | -179 | 29.6 | -36.6 | 0 | 0 | 0 | 111 | K368 L373 D448 V453 | P319-K368 CarbonylContact C-O 3.54Å; P319-K368 WeakPolarHBondContact CA-O 3.46Å; P319-L373 HydrophobicContact CB-CD1 3.94Å; P319-D448 HydrophobicContact CB-CB 3.82Å; P319-D448 HydrophobicContact CG-CB 3.73Å; P319-V453 HydrophobicContact CB-CB 4.49Å; P319-V453 HydrophobicContact CB-CG1 3.79Å; P319-V453 HydrophobicContact CG-CB 4.34Å; P319-V453 HydrophobicContact CG-CG1 4.08Å |
| 320 | Q | 84.8 | Confident | 74.7 | Confident | 95 Ų | 95 | 47.8 Ų | 47.8 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.1 | -174.1 | -68.9 | 176 | 5.8 | 0 | 0 | 110.5 | P318 E322 M367 K368 | P318-Q320 PolarHBondContact O-N 3.47Å; Q320-E322 PolarHBondContact O-N 3.38Å; Q320-M367 CarbonylContact O-C 3.59Å; Q320-M367 VanDerWaalsContact O-CA 3.28Å; Q320-M367 WeakPolarHBondContact O-CA 3.25Å; Q320-K368 PolarHBondContact N-O 3.35Å; Q320-K368 PolarHBondContact O-N 3.11Å |
| 321 | L | 87.1 | Confident | 75.4 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 126.2 | 165.4 | -175.5 | 72.8 | 0 | 0 | 0 | 108.9 | L324 M367 V453 A455 P763 | L321-L324 HydrophobicContact CD2-CB 4.42Å; L321-M367 HydrophobicContact CD1-CE 3.74Å; L321-M367 HydrophobicContact CD1-CG 3.97Å; L321-V453 HydrophobicContact CB-CG2 4.14Å; L321-A455 HydrophobicContact CD1-CB 3.98Å; L321-A455 HydrophobicContact CD2-CB 3.79Å; L321-P763 WeakPolarHBondContact O-CB 3.29Å |
| 322 | E | 85.3 | Confident | 75.4 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -42.8 | 178.9 | -175.2 | -174 | -168.2 | 0 | 0 | 112.2 | Q320 S366 K368 K426 | Q320-E322 PolarHBondContact O-N 3.38Å; E322-S366 WeakPolarHBondContact CB-O 3.33Å; E322-S366 PolarHBondContact N-O 2.82Å; E322-S366 PolarHBondContact OE2-OG 3.21Å; E322-K368 HydrophobicContact CG-CD 4.47Å; E322-K368 WeakPolarHBondContact OE1-CE 3.23Å; E322-K368 IonicContact OE1-NZ 2.95Å; E322-K368 PolarHBondContact OE1-NZ 3.49Å; E322-K368 WeakPolarHBondContact OE2-CE 3.1Å; E322-K368 IonicContact OE2-NZ 3.46Å; E322-K426 IonicContact OE1-NZ 2.67Å; E322-K426 PolarHBondContact OE1-NZ 2.04Å; E322-K426 WeakPolarHBondContact OE2-CD 3.4Å; E322-K426 WeakPolarHBondContact OE2-CE 3.45Å; E322-K426 IonicContact OE2-NZ 3.91Å; E322-K426 PolarHBondContact OE2-NZ 2.84Å |
| 323 | R | 86 | Confident | 75 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 156.1 | 173.3 | 59.2 | 169.8 | -176.6 | 98.9 | 5.9 | 110.7 | D325 T364 S366 E428 | R323-D325 WeakPolarHBondContact CD-OD2 3.4Å; R323-D325 IonicContact CZ-OD2 2.75Å; R323-D325 IonicContact NE-OD2 3.14Å; R323-D325 IonicContact NH1-OD2 2.69Å; R323-D325 PolarHBondContact NH1-OD2 3.4Å; R323-T364 PolarHBondContact NH1-OG1 3.28Å; R323-S366 PolarHBondContact N-O 3.04Å; R323-S366 PolarHBondContact O-N 3.46Å; R323-E428 IonicContact CZ-OE1 3.2Å; R323-E428 IonicContact NE-OE1 3.65Å; R323-E428 IonicContact NH2-OE1 3.82Å; R323-E428 PolarHBondContact NH2-OE1 2.88Å; R323-E428 IonicContact NH2-OE2 3.63Å; R323-E428 PolarHBondContact NH2-OE2 3.01Å |
| 324 | L | 87.6 | Confident | 74 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 105.6 | 174.5 | -179.7 | 71.2 | 0 | 0 | 0 | 107.1 | L321 T364 C365 W377 A455 V457 | L321-L324 HydrophobicContact CD2-CB 4.42Å; L324-T364 CarbonylContact C-O 3.57Å; L324-T364 WeakPolarHBondContact CA-O 3.31Å; L324-C365 HydrophobicContact CD1-CB 3.99Å; L324-W377 HydrophobicContact CD1-CH2 4.23Å; L324-A455 HydrophobicContact CD2-CB 3.99Å; L324-V457 HydrophobicContact CD1-CG2 4.03Å; L324-V457 HydrophobicContact CD2-CG2 3.55Å; L324-V457 HydrophobicContact CG-CG2 3.96Å |
| 325 | D | 85.9 | Confident | 72.5 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.7 | -171.9 | -51.3 | -18.9 | 0 | 0 | 0 | 110.4 | R323 T364 | R323-D325 WeakPolarHBondContact CD-OD2 3.4Å; R323-D325 IonicContact CZ-OD2 2.75Å; R323-D325 IonicContact NE-OD2 3.14Å; R323-D325 IonicContact NH1-OD2 2.69Å; R323-D325 PolarHBondContact NH1-OD2 3.4Å; D325-T364 PolarHBondContact N-O 2.87Å; D325-T364 PolarHBondContact O-N 2.86Å |
| 326 | V | 85.9 | Confident | 71.4 | Confident | 38 Ų | 38 | 59 Ų | 59 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 110.3 | 176.5 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | L328 V361 L363 V457 L459 | V326-L328 HydrophobicContact CG1-CD2 3.88Å; V326-L328 HydrophobicContact CG1-CG 4.4Å; V326-V361 HydrophobicContact CG1-CG1 3.6Å; V326-L363 HydrophobicContact CB-CD2 4.33Å; V326-L363 HydrophobicContact CG1-CD2 3.98Å; V326-L363 HydrophobicContact CG2-CD2 3.85Å; V326-V457 HydrophobicContact CG2-CG1 4.04Å; V326-L459 HydrophobicContact CG1-CD2 4.13Å |
| 327 | D | 83.1 | Confident | 70.1 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 114.3 | 179.1 | -179.8 | 2.2 | 0 | 0 | 0 | 110.3 | T329 R362 | D327-T329 VanDerWaalsContact OD1-CB 3.3Å; D327-T329 WeakPolarHBondContact OD1-CB 3.49Å; D327-T329 WeakPolarHBondContact OD1-CG2 3.25Å; D327-T329 PolarHBondContact OD1-N 3.1Å; D327-T329 PolarHBondContact OD1-OG1 2.89Å; D327-T329 PolarHBondContact OD2-OG1 3.34Å; D327-R362 HydrophobicContact CB-CB 4.22Å; D327-R362 PolarHBondContact N-O 2.87Å; D327-R362 PolarHBondContact O-N 3Å; D327-R362 IonicContact OD2-NH1 2.72Å |
| 328 | L | 79.1 | Confident | 69.1 | Low | 54 Ų | 54 | 72.5 Ų | 72.5 | 28% | 0.283 | 36% | 0.357 | S | S | . | . | trans | -98.9 | 8.3 | -176.6 | -58.1 | 177.4 | 0 | 0 | 0 | 113.1 | V326 N330 L331 V361 Y736 | V326-L328 HydrophobicContact CG1-CD2 3.88Å; V326-L328 HydrophobicContact CG1-CG 4.4Å; L328-N330 VanDerWaalsContact C-N 3.25Å; L328-N330 PolarHBondContact O-N 3.03Å; L328-L331 VanDerWaalsContact O-CB 3.22Å; L328-L331 WeakPolarHBondContact O-CB 3.44Å; L328-L331 PolarHBondContact O-N 3.39Å; L328-V361 HydrophobicContact CD2-CG1 3.99Å; L328-V361 HydrophobicContact CD2-CG2 3.68Å; L328-Y736 HydrophobicContact CD1-CD2 4.41Å; L328-Y736 HydrophobicContact CD1-CE2 4.33Å | ||
| 329 | T | 73 | Confident | 67.5 | Low | 69 Ų | 69 | 73.9 Ų | 73.9 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -53.3 | -40.1 | -177 | 45.3 | 0 | 0 | 0 | 0 | 113.4 | D327 L331 H332 | D327-T329 VanDerWaalsContact OD1-CB 3.3Å; D327-T329 WeakPolarHBondContact OD1-CB 3.49Å; D327-T329 WeakPolarHBondContact OD1-CG2 3.25Å; D327-T329 PolarHBondContact OD1-N 3.1Å; D327-T329 PolarHBondContact OD1-OG1 2.89Å; D327-T329 PolarHBondContact OD2-OG1 3.34Å; T329-L331 VanDerWaalsContact C-N 3.3Å; T329-L331 PolarHBondContact O-N 2.74Å; T329-H332 PolarHBondContact O-N 3.14Å |
| 330 | N | 65.7 | Low | 65.3 | Low | 40 Ų | 40 | 82.2 Ų | 82.2 | 21% | 0.214 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -66.4 | -29 | 179.5 | -71.2 | -2.9 | 0 | 0 | 0 | 113.1 | L328 H332 Q333 S360 E432 | L328-N330 VanDerWaalsContact C-N 3.25Å; L328-N330 PolarHBondContact O-N 3.03Å; N330-H332 PolarHBondContact O-N 2.58Å; N330-Q333 PolarHBondContact O-N 2.89Å; N330-S360 WeakPolarHBondContact CB-O 3.4Å; N330-S360 WeakPolarHBondContact CB-OG 3.4Å; N330-S360 PolarHBondContact ND2-OG 2.8Å; N330-E432 PolarHBondContact ND2-OE1 3.41Å; N330-E432 VanDerWaalsContact ND2-OE1 3.17Å |
| 331 | L | 65.1 | Low | 63.2 | Low | 47 Ų | 47 | 84.8 Ų | 84.8 | 25% | 0.246 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -61.9 | -28.5 | 178.5 | -147.6 | 87.2 | 0 | 0 | 0 | 112.6 | L328 T329 V361 W461 P462 | L328-L331 VanDerWaalsContact O-CB 3.22Å; L328-L331 WeakPolarHBondContact O-CB 3.44Å; L328-L331 PolarHBondContact O-N 3.39Å; T329-L331 VanDerWaalsContact C-N 3.3Å; T329-L331 PolarHBondContact O-N 2.74Å; L331-V361 HydrophobicContact CD1-CG2 4.12Å; L331-W461 HydrophobicContact CD1-CE3 4.16Å; L331-W461 HydrophobicContact CD1-CZ3 3.94Å; L331-P462 HydrophobicContact CD2-CG 4.46Å |
| 332 | H | 53.7 | Low | 60.8 | Low | 99 Ų | 99 | 87.7 Ų | 87.7 | 46% | 0.458 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -85.3 | -16.9 | -176.2 | -77 | -78.4 | 0 | 0 | 0 | 114.5 | T329 N330 M334 K335 | T329-H332 PolarHBondContact O-N 3.14Å; N330-H332 PolarHBondContact O-N 2.58Å; H332-M334 PolarHBondContact O-N 2.84Å; H332-K335 PolarHBondContact O-N 2.81Å |
| 333 | Q | 51.1 | Low | 58.4 | Low | 129 Ų | 129 | 92.3 Ų | 92.3 | 60% | 0.603 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.7 | -28.1 | 179.5 | -65.3 | -168.5 | 7.6 | 0 | 0 | 112.2 | N330 K335 S336 | N330-Q333 PolarHBondContact O-N 2.89Å; Q333-K335 VanDerWaalsContact C-N 3.34Å; Q333-K335 PolarHBondContact O-N 2.83Å; Q333-S336 PolarHBondContact O-OG 3.19Å |
| 334 | M | 44.4 | Very low | 56.1 | Low | 68 Ų | 68 | 97.9 Ų | 97.9 | 34% | 0.335 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -34 | 177.2 | -127.2 | -173.8 | -172.5 | 0 | 0 | 114.1 | H332 Q357 I464 | H332-M334 PolarHBondContact O-N 2.84Å; M334-Q357 HydrophobicContact CE-CB 4.09Å; M334-Q357 WeakPolarHBondContact CE-O 3.35Å; M334-I464 HydrophobicContact SD-CD1 4.07Å |
| 335 | K | 43.4 | Very low | 53.7 | Low | 171 Ų | 171 | 105.2 Ų | 105.2 | 74% | 0.743 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -84.4 | -22.6 | -174.1 | -78 | -172.9 | 175.4 | 179.9 | 0 | 114.6 | H332 Q333 | H332-K335 PolarHBondContact O-N 2.81Å; Q333-K335 VanDerWaalsContact C-N 3.34Å; Q333-K335 PolarHBondContact O-N 2.83Å |
| 336 | S | 45.1 | Very low | 51.5 | Low | 86 Ų | 86 | 110.8 Ų | 110.8 | 60% | 0.601 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -87.2 | -21.1 | -175.8 | 67.2 | 0 | 0 | 0 | 0 | 114.2 | Q333 | Q333-S336 PolarHBondContact O-OG 3.19Å |
| 337 | K | 43.3 | Very low | 49.5 | Very low | 132 Ų | 132 | 113.4 Ų | 113.4 | 57% | 0.574 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -12.2 | -174.4 | -143.1 | 173.7 | -175.7 | -179.6 | 0 | 114.4 | ||
| 338 | Y | 44.3 | Very low | 47 | Very low | 199 Ų | 199 | 119 Ų | 119 | 78% | 0.78 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 8.8 | 176.6 | -80.5 | -80.6 | 0 | 0 | 0 | 114.1 | ||
| 339 | S | 40.5 | Very low | 45.1 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 66% | 0.657 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -123 | 8.6 | -169 | -46 | 0 | 0 | 0 | 0 | 115.4 | ||
| 340 | K | 38 | Very low | 43.1 | Very low | 188 Ų | 188 | 132.4 Ų | 132.4 | 82% | 0.817 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -137.3 | -9.6 | -175.8 | -94.1 | -175.8 | 174.5 | 179.9 | 0 | 117.4 | S342 | K340-S342 PolarHBondContact O-N 2.63Š|
| 341 | D | 40.8 | Very low | 41.8 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | trans | -99.7 | 75 | 179.2 | -64.2 | -21.2 | 0 | 0 | 0 | 110.8 | ||||
| 342 | S | 36.7 | Very low | 40.2 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -138.4 | 141.8 | 163 | 67.7 | 0 | 0 | 0 | 0 | 109.1 | K340 | K340-S342 PolarHBondContact O-N 2.63Š| ||
| 343 | V | 33.6 | Very low | 39.4 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | 72.2 | 86.5 | -171.5 | -164.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 344 | I | 39 | Very low | 38.5 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | -160 | 127.7 | 117.7 | -92.4 | 148 | 0 | 0 | 0 | 107.4 | |||||
| 345 | E | 36.9 | Very low | 37.9 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -77.8 | 132.9 | 172.7 | -59.8 | 169.9 | 132.2 | 0 | 0 | 109.4 | ||||
| 346 | N | 39.3 | Very low | 37.8 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | 174.7 | 137.2 | 121.8 | -91.2 | -48.1 | 0 | 0 | 0 | 114.5 | |||||
| 347 | S | 42.7 | Very low | 38.2 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | trans | 38.6 | 110.3 | 150.3 | 63 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 348 | N | 32.4 | Very low | 39 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | 59.3 | 76.7 | 129.4 | -58.2 | -15.5 | 0 | 0 | 0 | 119.7 | |||||
| 349 | E | 38.3 | Very low | 40.1 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | trans | -147.4 | 120.5 | 139.5 | -132.7 | 168.9 | -166.5 | 0 | 0 | 112 | S351 | E349-S351 PolarHBondContact O-N 2.89Š| ||
| 350 | K | 30.6 | Very low | 41.9 | Very low | 216 Ų | 216 | 127.2 Ų | 127.2 | 94% | 0.939 | 68% | 0.675 | S | S | * | * | trans | -88.9 | 78.1 | 175.7 | -84.3 | -175.1 | 174.3 | 178.7 | 0 | 110 | ||||
| 351 | S | 37.8 | Very low | 44.1 | Very low | 86 Ų | 86 | 118.4 Ų | 118.4 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | trans | -89.9 | 113.8 | 163.6 | 60.6 | 0 | 0 | 0 | 0 | 110 | E349 I353 | E349-S351 PolarHBondContact O-N 2.89Å; S351-I353 PolarHBondContact O-N 3.2Å; S351-I353 VanDerWaalsContact O-N 3.13Å | ||
| 352 | I | 32 | Very low | 46.3 | Very low | 167 Ų | 167 | 115.4 Ų | 115.4 | 86% | 0.856 | 61% | 0.614 | S | S | * | * | trans | -73.1 | 102.8 | 174.8 | -62.5 | 167.4 | 0 | 0 | 0 | 108.1 | ||||
| 353 | I | 37.2 | Very low | 48.7 | Very low | 119 Ų | 119 | 110.5 Ų | 110.5 | 61% | 0.61 | 58% | 0.58 | S | S | * | * | trans | -95 | 100.7 | 173.2 | -58.1 | 176.5 | 0 | 0 | 0 | 108.3 | S351 N355 | S351-I353 PolarHBondContact O-N 3.2Å; S351-I353 VanDerWaalsContact O-N 3.13Å; I353-N355 VanDerWaalsContact C-N 3.35Å; I353-N355 HydrophobicContact CG2-CB 4.41Å; I353-N355 PolarHBondContact O-N 3.24Å | ||
| 354 | S | 32 | Very low | 51.4 | Low | 100 Ų | 100 | 104.7 Ų | 104.7 | 70% | 0.699 | 55% | 0.545 | S | S | * | . | trans | -75.4 | 84.3 | 170.1 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | D356 | S354-D356 PolarHBondContact O-N 3.23Š| ||
| 355 | N | 33.1 | Very low | 53.8 | Low | 101 Ų | 101 | 96.9 Ų | 96.9 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | trans | -89.6 | 77.7 | 174 | -93 | -9.7 | 0 | 0 | 0 | 110.7 | I353 Q357 | I353-N355 VanDerWaalsContact C-N 3.35Å; I353-N355 HydrophobicContact CG2-CB 4.41Å; I353-N355 PolarHBondContact O-N 3.24Å; N355-Q357 HydrophobicContact CB-CG 4.17Å; N355-Q357 PolarHBondContact O-N 3Å | ||
| 356 | D | 40.6 | Very low | 56.3 | Low | 139 Ų | 139 | 88.8 Ų | 88.8 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | trans | -74.4 | 73.5 | 166.6 | -70.5 | -33.7 | 0 | 0 | 0 | 109.6 | S354 H358 | S354-D356 PolarHBondContact O-N 3.23Å; D356-H358 PolarHBondContact O-CD2 2.83Å; D356-H358 PolarHBondContact O-N 2.98Å | ||
| 357 | Q | 52.3 | Low | 58.7 | Low | 86 Ų | 86 | 81.7 Ų | 81.7 | 40% | 0.402 | 43% | 0.429 | S | S | . | . | trans | -77.3 | 87.6 | 179.8 | -68.6 | -175.7 | -82 | 0 | 0 | 110.3 | M334 N355 | M334-Q357 HydrophobicContact CE-CB 4.09Å; M334-Q357 WeakPolarHBondContact CE-O 3.35Å; N355-Q357 HydrophobicContact CB-CG 4.17Å; N355-Q357 PolarHBondContact O-N 3Å | ||
| 358 | H | 60.4 | Low | 60.8 | Low | 129 Ų | 129 | 80.9 Ų | 80.9 | 60% | 0.597 | 41% | 0.414 | S | S | * | . | trans | -73.1 | 146.4 | 169.1 | -64.8 | -91.1 | 0 | 0 | 0 | 111.5 | D356 S360 I434 | D356-H358 PolarHBondContact O-CD2 2.83Å; D356-H358 PolarHBondContact O-N 2.98Å; H358-S360 PolarHBondContact O-N 2.66Å; H358-I434 HydrophobicContact CB-CG2 3.33Å | ||
| 359 | S | 68.8 | Low | 63 | Low | 12 Ų | 12 | 73.3 Ų | 73.3 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | trans | -66.3 | 123.1 | 171.5 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | Q435 W461 | S359-Q435 PolarHBondContact O-N 3.26Å; S359-W461 WeakPolarHBondContact O-CZ3 3.26Å | ||
| 360 | S | 78.1 | Confident | 64.7 | Low | 17 Ų | 17 | 64.7 Ų | 64.7 | 12% | 0.119 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 152.7 | 170.5 | 88.6 | 0 | 0 | 0 | 0 | 112.7 | N330 H358 E432 V433 | N330-S360 WeakPolarHBondContact CB-O 3.4Å; N330-S360 WeakPolarHBondContact CB-OG 3.4Å; N330-S360 PolarHBondContact ND2-OG 2.8Å; H358-S360 PolarHBondContact O-N 2.66Å; S360-E432 WeakPolarHBondContact CB-OE1 3.43Å; S360-E432 PolarHBondContact OG-OE1 2.83Å; S360-V433 CarbonylContact C-O 3.41Å; S360-V433 VanDerWaalsContact CA-O 3.24Å; S360-V433 WeakPolarHBondContact CA-O 3.35Å; S360-V433 WeakPolarHBondContact CB-O 3.45Å |
| 361 | V | 83.5 | Confident | 66.7 | Low | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 143.1 | 179.3 | 166.3 | 0 | 0 | 0 | 0 | 107.7 | V326 L328 L331 L363 V433 L459 W461 | V326-V361 HydrophobicContact CG1-CG1 3.6Å; L328-V361 HydrophobicContact CD2-CG1 3.99Å; L328-V361 HydrophobicContact CD2-CG2 3.68Å; L331-V361 HydrophobicContact CD1-CG2 4.12Å; V361-L363 HydrophobicContact CG1-CD2 4.16Å; V361-V433 HydrophobicContact CB-CG2 4.04Å; V361-V433 HydrophobicContact CG1-CG2 4.42Å; V361-V433 PolarHBondContact N-O 3.45Å; V361-V433 WeakPolarHBondContact O-CG2 3.37Å; V361-V433 PolarHBondContact O-N 3.23Å; V361-L459 HydrophobicContact CG1-CD1 4.49Å; V361-L459 HydrophobicContact CG1-CD2 4.48Å; V361-W461 HydrophobicContact CB-CH2 4.01Å; V361-W461 HydrophobicContact CB-CZ3 4.41Å; V361-W461 HydrophobicContact CG2-CH2 3.71Å; V361-W461 HydrophobicContact CG2-CZ3 3.61Å |
| 362 | R | 86.2 | Confident | 68.4 | Low | 85 Ų | 85 | 58.6 Ų | 58.6 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.7 | 174.9 | -178.1 | -174.1 | -61.5 | 139.4 | -0.1 | 110.2 | D327 T364 | D327-R362 HydrophobicContact CB-CB 4.22Å; D327-R362 PolarHBondContact N-O 2.87Å; D327-R362 PolarHBondContact O-N 3Å; D327-R362 IonicContact OD2-NH1 2.72Å; R362-T364 HydrophobicContact CG-CG2 4.26Å |
| 363 | L | 88.5 | Confident | 70.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136.4 | 173.1 | -54.6 | -179.9 | 0 | 0 | 0 | 108.7 | V326 V361 W377 E430 L431 V433 Y442 V457 L459 | V326-L363 HydrophobicContact CB-CD2 4.33Å; V326-L363 HydrophobicContact CG1-CD2 3.98Å; V326-L363 HydrophobicContact CG2-CD2 3.85Å; V361-L363 HydrophobicContact CG1-CD2 4.16Å; L363-W377 HydrophobicContact CB-CH2 3.62Å; L363-W377 HydrophobicContact CB-CZ2 4.27Å; L363-W377 HydrophobicContact CB-CZ3 4.08Å; L363-W377 HydrophobicContact CD1-CH2 4.36Å; L363-W377 HydrophobicContact CD1-CZ3 3.94Å; L363-E430 CarbonylContact O-C 3.54Å; L363-E430 WeakPolarHBondContact O-CA 3.24Å; L363-L431 HydrophobicContact CD1-CD2 4.47Å; L363-L431 PolarHBondContact N-O 3.41Å; L363-L431 PolarHBondContact O-N 2.8Å; L363-V433 HydrophobicContact CD1-CG1 3.91Å; L363-V433 HydrophobicContact CD1-CG2 4.3Å; L363-V433 HydrophobicContact CG-CG1 4.39Å; L363-V433 HydrophobicContact CG-CG2 4.28Å; L363-Y442 HydrophobicContact CD1-CD2 4.16Å; L363-Y442 HydrophobicContact CD1-CG 4.11Å; L363-V457 HydrophobicContact CD2-CG1 4.07Å; L363-L459 HydrophobicContact CD2-CD1 4.39Å; L363-L459 HydrophobicContact CD2-CD2 4.42Å |
| 364 | T | 89.5 | Confident | 73.1 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 9% | 0.086 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.9 | 171 | 79.9 | 0 | 0 | 0 | 0 | 110.4 | R323 L324 D325 R362 S429 E430 | R323-T364 PolarHBondContact NH1-OG1 3.28Å; L324-T364 CarbonylContact C-O 3.57Å; L324-T364 WeakPolarHBondContact CA-O 3.31Å; D325-T364 PolarHBondContact N-O 2.87Å; D325-T364 PolarHBondContact O-N 2.86Å; R362-T364 HydrophobicContact CG-CG2 4.26Å; T364-S429 CarbonylContact C-O 3.57Å; T364-S429 WeakPolarHBondContact CA-O 3.44Å; T364-E430 HydrophobicContact CG2-CB 4.28Å; T364-E430 HydrophobicContact CG2-CG 3.83Å |
| 365 | C | 90.5 | Very high | 75.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.9 | -175.3 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | L324 W377 E428 S429 C444 | L324-C365 HydrophobicContact CD1-CB 3.99Å; C365-W377 HydrophobicContact CB-CH2 3.8Å; C365-W377 HydrophobicContact CB-CZ2 3.45Å; C365-W377 VanDerWaalsContact CB-CZ2 3.45Å; C365-E428 CarbonylContact O-C 3.6Å; C365-E428 VanDerWaalsContact O-CA 3.3Å; C365-E428 WeakPolarHBondContact O-CA 3.46Å; C365-S429 PolarHBondContact N-O 3.01Å; C365-S429 PolarHBondContact O-N 3.07Å; C365-C444 HydrophobicContact CB-CB 3.7Å; C365-C444 WeakPolarHBondContact CB-SG 3.31Å; C365-C444 WeakPolarHBondContact SG-CB 3.41Å; C365-C444 CovalentContact SG-SG 2.03Å; C365-C444 PolarHBondContact SG-SG 2.85Å |
| 366 | S | 89.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.5 | -177.7 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | E322 R323 K426 V427 E428 | E322-S366 WeakPolarHBondContact CB-O 3.33Å; E322-S366 PolarHBondContact N-O 2.82Å; E322-S366 PolarHBondContact OE2-OG 3.21Å; R323-S366 PolarHBondContact N-O 3.04Å; R323-S366 PolarHBondContact O-N 3.46Å; S366-K426 VanDerWaalsContact OG-CE 3.25Å; S366-K426 WeakPolarHBondContact OG-CE 3.47Å; S366-K426 PolarHBondContact OG-NZ 3.05Å; S366-V427 WeakPolarHBondContact CA-O 3.22Å; S366-E428 WeakPolarHBondContact OG-CG 3.5Å |
| 367 | M | 88.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.2 | -178.5 | -68.2 | 168 | 164.9 | 0 | 0 | 111 | Q320 L321 L373 I375 K426 V427 C444 G446 V453 | Q320-M367 CarbonylContact O-C 3.59Å; Q320-M367 VanDerWaalsContact O-CA 3.28Å; Q320-M367 WeakPolarHBondContact O-CA 3.25Å; L321-M367 HydrophobicContact CD1-CE 3.74Å; L321-M367 HydrophobicContact CD1-CG 3.97Å; M367-L373 HydrophobicContact CB-CD2 3.95Å; M367-I375 HydrophobicContact CB-CD1 4.02Å; M367-I375 HydrophobicContact CB-CG1 4.5Å; M367-I375 HydrophobicContact CG-CD1 4.22Å; M367-I375 HydrophobicContact SD-CD1 4.07Å; M367-I375 HydrophobicContact SD-CG1 3.98Å; M367-K426 WeakPolarHBondContact O-CA 3.07Å; M367-V427 PolarHBondContact N-O 2.67Å; M367-V427 PolarHBondContact O-N 3.39Å; M367-C444 HydrophobicContact CE-CB 4.45Å; M367-C444 VanDerWaalsContact CE-SG 3.53Å; M367-G446 WeakPolarHBondContact SD-CA 3.1Å; M367-G446 PolarHBondContact SD-N 3.25Å; M367-V453 HydrophobicContact CE-CG1 3.83Å; M367-V453 HydrophobicContact CG-CG1 4.36Å; M367-V453 HydrophobicContact SD-CG1 3.88Å |
| 368 | K | 86.1 | Confident | 82.4 | Confident | 76 Ų | 76 | 34 Ų | 34 | 33% | 0.33 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.8 | 174.6 | -75.9 | 174.2 | 178.6 | 153 | 0 | 109.7 | P319 Q320 E322 I424 I425 K426 | P319-K368 CarbonylContact C-O 3.54Å; P319-K368 WeakPolarHBondContact CA-O 3.46Å; Q320-K368 PolarHBondContact N-O 3.35Å; Q320-K368 PolarHBondContact O-N 3.11Å; E322-K368 HydrophobicContact CG-CD 4.47Å; E322-K368 WeakPolarHBondContact OE1-CE 3.23Å; E322-K368 IonicContact OE1-NZ 2.95Å; E322-K368 PolarHBondContact OE1-NZ 3.49Å; E322-K368 WeakPolarHBondContact OE2-CE 3.1Å; E322-K368 IonicContact OE2-NZ 3.46Å; K368-I424 HydrophobicContact CB-CG2 3.97Å; K368-I424 HydrophobicContact CG-CG2 4.38Å; K368-I425 WeakPolarHBondContact CA-O 3.5Å; K368-K426 HydrophobicContact CG-CB 4.35Å |
| 369 | G | 79.3 | Confident | 83.7 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | -165 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I424 I425 | G369-I424 WeakPolarHBondContact O-CA 3.46Å; G369-I425 PolarHBondContact N-O 3.42Å; G369-I425 PolarHBondContact O-N 3.06Å |
| 370 | S | 74.1 | Confident | 84.5 | Confident | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.063 | 15% | 0.148 | C | C | . | . | trans | -67.9 | 168.6 | 174.7 | 101.2 | 0 | 0 | 0 | 0 | 111.7 | D372 L373 I425 D448 | S370-D372 PolarHBondContact O-N 3.12Å; S370-D372 PolarHBondContact OG-N 2.65Å; S370-L373 VanDerWaalsContact O-CB 3.25Å; S370-L373 WeakPolarHBondContact O-CB 3.17Å; S370-L373 PolarHBondContact O-N 3.47Å; S370-I425 WeakPolarHBondContact O-CD1 3.48Å; S370-I425 WeakPolarHBondContact O-CG1 3.5Å; S370-D448 VanDerWaalsContact CB-OD1 3.28Å; S370-D448 WeakPolarHBondContact CB-OD1 3.35Å; S370-D448 PolarHBondContact N-OD2 3.26Å; S370-D448 PolarHBondContact OG-OD1 3.03Å | ||
| 371 | I | 73.2 | Confident | 84.5 | Confident | 93 Ų | 93 | 30.9 Ų | 30.9 | 48% | 0.477 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -26.9 | 177.3 | -68.3 | 170 | 0 | 0 | 0 | 112.8 | L373 I425 | I371-L373 VanDerWaalsContact C-N 3.35Å; I371-I425 HydrophobicContact CG1-CG2 4.17Å; I371-I425 WeakPolarHBondContact O-CD1 3.47Å |
| 372 | D | 72.4 | Confident | 83.8 | Confident | 81 Ų | 81 | 34.6 Ų | 34.6 | 43% | 0.433 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 4.8 | -177.1 | -55.2 | -55.8 | 0 | 0 | 0 | 113.4 | R216 S370 S374 V449 | R216-D372 IonicContact NH1-OD2 3.14Å; R216-D372 PolarHBondContact NH1-OD2 2.76Å; S370-D372 PolarHBondContact O-N 3.12Å; S370-D372 PolarHBondContact OG-N 2.65Å; D372-S374 PolarHBondContact O-N 3.16Å; D372-V449 HydrophobicContact CB-CG1 3.87Å; D372-V449 HydrophobicContact CB-CG2 4.46Å |
| 373 | L | 82.6 | Confident | 82.9 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | trans | -62 | 124.5 | 177.9 | 177.8 | 68.8 | 0 | 0 | 0 | 112.2 | P319 M367 S370 I371 I425 V427 I447 D448 | P319-L373 HydrophobicContact CB-CD1 3.94Å; M367-L373 HydrophobicContact CB-CD2 3.95Å; S370-L373 VanDerWaalsContact O-CB 3.25Å; S370-L373 WeakPolarHBondContact O-CB 3.17Å; S370-L373 PolarHBondContact O-N 3.47Å; I371-L373 VanDerWaalsContact C-N 3.35Å; L373-I425 HydrophobicContact CB-CD1 4.29Å; L373-I425 HydrophobicContact CB-CG1 4.48Å; L373-V427 HydrophobicContact CB-CG2 4.45Å; L373-V427 HydrophobicContact CD2-CB 4.27Å; L373-V427 HydrophobicContact CD2-CG2 4Å; L373-V427 HydrophobicContact CG-CG2 4.25Å; L373-I447 WeakPolarHBondContact CA-O 3.41Å; L373-D448 HydrophobicContact CD1-CB 4.07Å | ||
| 374 | S | 85.5 | Confident | 81.7 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.8 | 174.1 | 59.8 | 0 | 0 | 0 | 0 | 111 | D372 G446 I447 | D372-S374 PolarHBondContact O-N 3.16Å; S374-G446 CarbonylContact O-C 3.52Å; S374-G446 VanDerWaalsContact O-CA 3.29Å; S374-G446 WeakPolarHBondContact O-CA 3.44Å; S374-I447 PolarHBondContact N-O 3.08Å; S374-I447 PolarHBondContact O-N 2.87Å; S374-I447 PolarHBondContact OG-O 2.81Å |
| 375 | I | 87.3 | Confident | 80.7 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.046 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.2 | 176.8 | -59.4 | -177.9 | 0 | 0 | 0 | 109.6 | M367 V427 C444 I445 | M367-I375 HydrophobicContact CB-CD1 4.02Å; M367-I375 HydrophobicContact CB-CG1 4.5Å; M367-I375 HydrophobicContact CG-CD1 4.22Å; M367-I375 HydrophobicContact SD-CD1 4.07Å; M367-I375 HydrophobicContact SD-CG1 3.98Å; I375-V427 HydrophobicContact CD1-CB 3.9Å; I375-V427 HydrophobicContact CD1-CG1 3.77Å; I375-V427 WeakPolarHBondContact CD1-O 3.49Å; I375-V427 HydrophobicContact CG1-CB 4.26Å; I375-V427 HydrophobicContact CG1-CG1 3.95Å; I375-C444 WeakPolarHBondContact CG2-SG 3.46Å; I375-I445 WeakPolarHBondContact CA-O 3.34Å |
| 376 | M | 87.9 | Confident | 80 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 150 | 175.3 | -62.5 | -168.9 | -59.8 | 0 | 0 | 111.4 | Y378 I445 I447 | M376-Y378 HydrophobicContact CB-CE2 4.08Å; M376-Y378 HydrophobicContact CE-CE2 4.09Å; M376-Y378 WeakPolarHBondContact CE-OH 3.45Å; M376-I445 PolarHBondContact N-O 2.95Å; M376-I445 PolarHBondContact O-N 3.05Å; M376-I447 HydrophobicContact CE-CD1 3.37Å; M376-I447 HydrophobicContact CE-CG1 4.18Å |
| 377 | W | 89.3 | Confident | 79.3 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.2 | 175.4 | -70.8 | 90.7 | 0 | 0 | 0 | 111.5 | L324 L363 C365 V390 V392 S429 L431 S443 C444 | L324-W377 HydrophobicContact CD1-CH2 4.23Å; L363-W377 HydrophobicContact CB-CH2 3.62Å; L363-W377 HydrophobicContact CB-CZ2 4.27Å; L363-W377 HydrophobicContact CB-CZ3 4.08Å; L363-W377 HydrophobicContact CD1-CH2 4.36Å; L363-W377 HydrophobicContact CD1-CZ3 3.94Å; C365-W377 HydrophobicContact CB-CH2 3.8Å; C365-W377 HydrophobicContact CB-CZ2 3.45Å; C365-W377 VanDerWaalsContact CB-CZ2 3.45Å; W377-V390 HydrophobicContact CB-CB 4.19Å; W377-V390 PolarHBondContact O-N 3.38Å; W377-V392 HydrophobicContact CB-CG2 4.22Å; W377-V392 HydrophobicContact CG-CG2 4.16Å; W377-S429 PolarHBondContact NE1-OG 3.18Å; W377-L431 HydrophobicContact CB-CD2 3.99Å; W377-L431 HydrophobicContact CD2-CB 3.99Å; W377-L431 HydrophobicContact CD2-CD2 3.71Å; W377-L431 HydrophobicContact CD2-CG 4.49Å; W377-L431 HydrophobicContact CE3-CD2 3.73Å; W377-L431 HydrophobicContact CG-CB 4.25Å; W377-L431 HydrophobicContact CG-CD2 3.86Å; W377-L431 HydrophobicContact CZ2-CB 4.19Å; W377-L431 HydrophobicContact CZ3-CD2 4.43Å; W377-S443 CarbonylContact C-O 3.39Å; W377-S443 WeakPolarHBondContact CA-O 3.45Å; W377-C444 HydrophobicContact CD2-CB 4.29Å; W377-C444 HydrophobicContact CE3-CB 3.99Å; W377-C444 HydrophobicContact CH2-CB 3.92Å; W377-C444 HydrophobicContact CZ2-CB 4.21Å; W377-C444 HydrophobicContact CZ3-CB 3.8Å |
| 378 | Y | 88.6 | Confident | 78.9 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.5 | 174.2 | -70 | -92.8 | 0 | 0 | 0 | 110.8 | M376 M387 T388 Y442 S443 I445 | M376-Y378 HydrophobicContact CB-CE2 4.08Å; M376-Y378 HydrophobicContact CE-CE2 4.09Å; M376-Y378 WeakPolarHBondContact CE-OH 3.45Å; Y378-M387 HydrophobicContact CD1-CB 3.94Å; Y378-M387 HydrophobicContact CG-CB 4.42Å; Y378-T388 CarbonylContact C-O 3.57Å; Y378-T388 VanDerWaalsContact CA-O 3.3Å; Y378-T388 WeakPolarHBondContact CA-O 3.38Å; Y378-Y442 CarbonylContact O-C 3.55Å; Y378-Y442 VanDerWaalsContact O-CA 3.27Å; Y378-Y442 WeakPolarHBondContact O-CA 3.32Å; Y378-S443 PolarHBondContact N-O 2.74Å; Y378-S443 PolarHBondContact O-N 2.88Å; Y378-I445 HydrophobicContact CD2-CD1 3.61Å; Y378-I445 HydrophobicContact CD2-CG1 3.96Å; Y378-I445 HydrophobicContact CE2-CB 4.5Å; Y378-I445 HydrophobicContact CE2-CD1 3.74Å; Y378-I445 HydrophobicContact CE2-CG1 4.25Å |
| 379 | Y | 87.5 | Confident | 78.5 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 7% | 0.071 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 131.4 | 169 | 173.1 | -119.4 | 0 | 0 | 0 | 110 | T388 Q436 H437 D440 M441 Y442 | Y379-T388 PolarHBondContact N-O 3Å; Y379-T388 PolarHBondContact O-N 2.83Å; Y379-T388 PolarHBondContact O-OG1 3.28Å; Y379-T388 VanDerWaalsContact O-OG1 3.09Å; Y379-Q436 PolarHBondContact OH-OE1 2.92Å; Y379-H437 PolarHBondContact OH-CE1 2.78Å; Y379-H437 PolarHBondContact OH-ND1 3.21Å; Y379-D440 HydrophobicContact CE2-CB 4.14Å; Y379-D440 PolarHBondContact OH-OD1 2.84Å; Y379-M441 WeakPolarHBondContact CD2-O 3.03Å; Y379-Y442 AromaticContact CD2-CD1 3.89Å; Y379-Y442 HydrophobicContact CD2-CD1 3.89Å; Y379-Y442 HydrophobicContact CD2-CD2 4.46Å; Y379-Y442 AromaticContact CD2-CE1 3.42Å; Y379-Y442 HydrophobicContact CD2-CE1 3.42Å; Y379-Y442 VanDerWaalsContact CD2-CE1 3.42Å; Y379-Y442 HydrophobicContact CD2-CE2 4.05Å; Y379-Y442 HydrophobicContact CD2-CG 4.38Å; Y379-Y442 AromaticContact CD2-CZ 3.5Å; Y379-Y442 VanDerWaalsContact CD2-CZ 3.5Å; Y379-Y442 HydrophobicContact CE2-CE1 4.29Å; Y379-Y442 HydrophobicContact CE2-CE2 4.29Å; Y379-Y442 AromaticContact CE2-CZ 3.92Å; Y379-Y442 HydrophobicContact CG-CD1 4.39Å; Y379-Y442 AromaticContact CG-CE1 3.9Å; Y379-Y442 HydrophobicContact CG-CE1 3.9Å |
| 380 | H | 85.1 | Confident | 78.5 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 17% | 0.167 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.1 | -179.4 | -66.1 | -116.2 | 0 | 0 | 0 | 109.9 | N382 M387 M441 S443 | H380-N382 PolarHBondContact O-N 3.36Å; H380-M387 VanDerWaalsContact CE1-CE 3.46Å; H380-M387 WeakPolarHBondContact CE1-CE 3.41Å; H380-M441 HydrophobicContact CB-CB 3.99Å; H380-M441 HydrophobicContact CB-CE 4.28Å; H380-M441 PolarHBondContact N-O 2.85Å; H380-S443 PolarHBondContact NE2-OG 2.96Å |
| 381 | N | 79.2 | Confident | 78.1 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 103.9 | 175.6 | -175.2 | -9 | 0 | 0 | 0 | 110.5 | N383 N384 N385 T386 | N381-N383 PolarHBondContact O-N 2.84Å; N381-N383 WeakPolarHBondContact OD1-CB 3.48Å; N381-N383 PolarHBondContact OD1-N 2.87Å; N381-N384 PolarHBondContact O-N 3.47Å; N381-N384 VanDerWaalsContact O-N 3.13Å; N381-N385 PolarHBondContact O-N 3.49Å; N381-T386 PolarHBondContact N-O 2.83Å; N381-T386 VanDerWaalsContact N-O 3.11Å |
| 382 | N | 69.2 | Low | 77.6 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -22.8 | 178.1 | -72.3 | -23.4 | 0 | 0 | 0 | 114.4 | H380 I439 M441 | H380-N382 PolarHBondContact O-N 3.36Å; N382-I439 PolarHBondContact ND2-O 2.91Å; N382-M441 WeakPolarHBondContact OD1-CE 3.48Å |
| 383 | N | 66.6 | Low | 77.1 | Confident | 121 Ų | 121 | 64.7 Ų | 64.7 | 65% | 0.647 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -26.8 | -178.1 | -62.4 | -21.3 | 0 | 0 | 0 | 113 | N381 | N381-N383 PolarHBondContact O-N 2.84Å; N381-N383 WeakPolarHBondContact OD1-CB 3.48Å; N381-N383 PolarHBondContact OD1-N 2.87Å |
| 384 | N | 63.6 | Low | 75.7 | Confident | 110 Ų | 110 | 71.1 Ų | 71.1 | 59% | 0.588 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | -6 | -171.3 | -71.3 | 8.3 | 0 | 0 | 0 | 113.9 | N381 T386 | N381-N384 PolarHBondContact O-N 3.47Å; N381-N384 VanDerWaalsContact O-N 3.13Å; N384-T386 HydrophobicContact CB-CG2 3.98Å; N384-T386 WeakPolarHBondContact CB-OG1 3.35Å; N384-T386 PolarHBondContact O-N 3.2Å |
| 385 | N | 67.6 | Low | 74.1 | Confident | 154 Ų | 154 | 75.7 Ų | 75.7 | 82% | 0.824 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 25.5 | -166.6 | -66.6 | -6.5 | 0 | 0 | 0 | 113.7 | N381 | N381-N385 PolarHBondContact O-N 3.49Š|
| 386 | T | 76 | Confident | 72.8 | Confident | 64 Ų | 64 | 79 Ų | 79 | 39% | 0.393 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129 | 179.5 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | N381 N384 | N381-T386 PolarHBondContact N-O 2.83Å; N381-T386 VanDerWaalsContact N-O 3.11Å; N384-T386 HydrophobicContact CB-CG2 3.98Å; N384-T386 WeakPolarHBondContact CB-OG1 3.35Å; N384-T386 PolarHBondContact O-N 3.2Å |
| 387 | M | 75.4 | Confident | 71.7 | Confident | 111 Ų | 111 | 77.9 Ų | 77.9 | 55% | 0.547 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 125.6 | 166.1 | -61.1 | -171.9 | -158 | 0 | 0 | 109.2 | Y378 H380 | Y378-M387 HydrophobicContact CD1-CB 3.94Å; Y378-M387 HydrophobicContact CG-CB 4.42Å; H380-M387 VanDerWaalsContact CE1-CE 3.46Å; H380-M387 WeakPolarHBondContact CE1-CE 3.41Å |
| 388 | T | 79.6 | Confident | 70.7 | Confident | 63 Ų | 63 | 81.3 Ų | 81.3 | 39% | 0.387 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.5 | 178 | 51.5 | 0 | 0 | 0 | 0 | 109.4 | Y378 Y379 V390 | Y378-T388 CarbonylContact C-O 3.57Å; Y378-T388 VanDerWaalsContact CA-O 3.3Å; Y378-T388 WeakPolarHBondContact CA-O 3.38Å; Y379-T388 PolarHBondContact N-O 3Å; Y379-T388 PolarHBondContact O-N 2.83Å; Y379-T388 PolarHBondContact O-OG1 3.28Å; Y379-T388 VanDerWaalsContact O-OG1 3.09Å; T388-V390 PolarHBondContact O-N 2.9Å |
| 389 | S | 78.7 | Confident | 69.5 | Low | 78 Ų | 78 | 82.8 Ų | 82.8 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 125.3 | 178.1 | 53.7 | 0 | 0 | 0 | 0 | 110 | ||
| 390 | V | 78.3 | Confident | 68.3 | Low | 46 Ų | 46 | 86.3 Ų | 86.3 | 28% | 0.279 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 117.5 | 176 | -173.7 | 0 | 0 | 0 | 0 | 108.1 | W377 T388 V392 L431 Y442 | W377-V390 HydrophobicContact CB-CB 4.19Å; W377-V390 PolarHBondContact O-N 3.38Å; T388-V390 PolarHBondContact O-N 2.9Å; V390-V392 VanDerWaalsContact C-N 3.3Å; V390-V392 PolarHBondContact O-N 2.92Å; V390-L431 HydrophobicContact CG1-CD1 3.68Å; V390-L431 HydrophobicContact CG1-CD2 4.5Å; V390-Y442 HydrophobicContact CG2-CE1 4.5Å |
| 391 | N | 67.4 | Low | 66.9 | Low | 155 Ų | 155 | 91.5 Ų | 91.5 | 83% | 0.829 | 48% | 0.484 | S | S | * | . | trans | -71 | 85.4 | 177.4 | -75.1 | -7.2 | 0 | 0 | 0 | 110.4 | ||||
| 392 | V | 62.5 | Low | 65.6 | Low | 30 Ų | 30 | 92.1 Ų | 92.1 | 18% | 0.182 | 49% | 0.49 | C | S | . | . | trans | -72.2 | 132.6 | 170.8 | -179.4 | 0 | 0 | 0 | 0 | 109 | W377 V390 H396 E430 L431 | W377-V392 HydrophobicContact CB-CG2 4.22Å; W377-V392 HydrophobicContact CG-CG2 4.16Å; V390-V392 VanDerWaalsContact C-N 3.3Å; V390-V392 PolarHBondContact O-N 2.92Å; V392-H396 HydrophobicContact CG1-CB 3.73Å; V392-E430 WeakPolarHBondContact CG1-O 3.49Å; V392-L431 HydrophobicContact CG2-CD1 3.98Å | ||
| 393 | S | 60.5 | Low | 64.5 | Low | 60 Ų | 60 | 97.4 Ų | 97.4 | 42% | 0.42 | 51% | 0.509 | S | S | . | . | trans | -67.1 | 137.2 | 175 | 83.4 | 0 | 0 | 0 | 0 | 110.1 | N395 H396 | S393-N395 PolarHBondContact O-N 2.79Å; S393-H396 PolarHBondContact O-N 3.38Å; S393-H396 PolarHBondContact OG-CD2 2.78Å | ||
| 394 | N | 53.4 | Low | 63.3 | Low | 137 Ų | 137 | 97.9 Ų | 97.9 | 73% | 0.733 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -54 | -21.1 | -175.9 | -70.7 | 2.6 | 0 | 0 | 0 | 113.9 | H396 I397 | N394-H396 PolarHBondContact O-N 2.92Å; N394-I397 PolarHBondContact O-N 3.11Å |
| 395 | N | 53.1 | Low | 62.2 | Low | 148 Ų | 148 | 103.9 Ų | 103.9 | 79% | 0.791 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -62.5 | -21.2 | 176.1 | -66.6 | -3.7 | 0 | 0 | 0 | 113.8 | S393 | S393-N395 PolarHBondContact O-N 2.79Š|
| 396 | H | 60.6 | Low | 60.5 | Low | 78 Ų | 78 | 105.3 Ų | 105.3 | 36% | 0.361 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -90.1 | 1.7 | 177.5 | -62.4 | -73.8 | 0 | 0 | 0 | 113.9 | V392 S393 N394 S429 E430 | V392-H396 HydrophobicContact CG1-CB 3.73Å; S393-H396 PolarHBondContact O-N 3.38Å; S393-H396 PolarHBondContact OG-CD2 2.78Å; N394-H396 PolarHBondContact O-N 2.92Å; H396-S429 VanDerWaalsContact O-CA 3.31Å; H396-S429 WeakPolarHBondContact O-CA 3.25Å; H396-E430 HydrophobicContact CB-CB 4.11Å; H396-E430 VanDerWaalsContact CB-O 3.31Å; H396-E430 WeakPolarHBondContact CB-O 3.43Å; H396-E430 PolarHBondContact O-N 3.14Å; H396-E430 VanDerWaalsContact O-N 3.1Å |
| 397 | I | 63.5 | Low | 58.6 | Low | 48 Ų | 48 | 109.2 Ų | 109.2 | 25% | 0.246 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 112.7 | 177.1 | -55.6 | 179.2 | 0 | 0 | 0 | 109.4 | N394 V427 E428 | N394-I397 PolarHBondContact O-N 3.11Å; I397-V427 HydrophobicContact CG2-CG1 3.77Å; I397-E428 CarbonylContact C-O 3.46Å; I397-E428 WeakPolarHBondContact CA-O 3.46Å |
| 398 | I | 67.6 | Low | 56.6 | Low | 77 Ų | 77 | 108 Ų | 108 | 40% | 0.395 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 106.4 | -177.7 | -53 | 178.6 | 0 | 0 | 0 | 109.6 | K400 E428 | I398-K400 HydrophobicContact CG2-CG 4.01Å; I398-K400 PolarHBondContact O-N 2.94Å; I398-E428 PolarHBondContact N-O 3.11Å; I398-E428 PolarHBondContact O-N 3.42Å |
| 399 | H | 64.1 | Low | 54.3 | Low | 87 Ų | 87 | 115.6 Ų | 115.6 | 40% | 0.403 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80 | 108.5 | 169.8 | -64.1 | -94.6 | 0 | 0 | 0 | 110.1 | Y401 | H399-Y401 HydrophobicContact CB-CE2 3.89Å |
| 400 | K | 62.3 | Low | 52.6 | Low | 92 Ų | 92 | 118.8 Ų | 118.8 | 40% | 0.4 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96 | 92.5 | 175.6 | -68.4 | -179.5 | 179.6 | 172.4 | 0 | 109.7 | I398 K426 E428 | I398-K400 HydrophobicContact CG2-CG 4.01Å; I398-K400 PolarHBondContact O-N 2.94Å; K400-K426 WeakPolarHBondContact CA-O 3.34Å; K400-K426 HydrophobicContact CB-CB 4.18Å; K400-K426 HydrophobicContact CB-CG 4.34Å; K400-K426 HydrophobicContact CD-CD 4.35Å; K400-K426 PolarHBondContact N-O 3.37Å; K400-K426 PolarHBondContact O-N 3.4Å; K400-E428 WeakPolarHBondContact CE-OE2 3.49Å; K400-E428 IonicContact NZ-OE1 2.72Å; K400-E428 PolarHBondContact NZ-OE1 3.03Å; K400-E428 IonicContact NZ-OE2 3.24Å; K400-E428 PolarHBondContact NZ-OE2 2.71Å |
| 401 | Y | 56 | Low | 50.5 | Low | 145 Ų | 145 | 123.1 Ų | 123.1 | 57% | 0.569 | 60% | 0.602 | S | S | * | * | trans | -70.2 | 141.5 | 167.1 | -59.2 | -81.4 | 0 | 0 | 0 | 110.7 | H399 K403 I425 | H399-Y401 HydrophobicContact CB-CE2 3.89Å; Y401-K403 PolarHBondContact O-N 2.97Å; Y401-K403 VanDerWaalsContact O-N 3.09Å; Y401-I425 HydrophobicContact CD1-CG2 3.81Å; Y401-I425 HydrophobicContact CE1-CG2 3.85Å | ||
| 402 | P | 51.1 | Low | 49.2 | Very low | 51 Ų | 51 | 122.8 Ų | 122.8 | 33% | 0.331 | 60% | 0.6 | S | S | . | * | trans | -62.8 | 112.8 | 171.2 | 26.2 | -32.8 | 0 | 0 | 0 | 109.5 | D404 | P402-D404 PolarHBondContact O-N 3.07Š| ||
| 403 | K | 47.7 | Very low | 48.2 | Very low | 191 Ų | 191 | 128.5 Ų | 128.5 | 83% | 0.83 | 63% | 0.625 | S | S | * | * | trans | -73.4 | 123.8 | 168.9 | -68.3 | -178.3 | 178 | -179.9 | 0 | 108.1 | Y401 R405 | Y401-K403 PolarHBondContact O-N 2.97Å; Y401-K403 VanDerWaalsContact O-N 3.09Å; K403-R405 PolarHBondContact O-N 2.92Å | ||
| 404 | D | 41.5 | Very low | 46.9 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | trans | -54.4 | 96.8 | 175.3 | -74.4 | -47.6 | 0 | 0 | 0 | 110.9 | P402 N422 | P402-D404 PolarHBondContact O-N 3.07Å; D404-N422 PolarHBondContact OD1-ND2 3.11Å | ||
| 405 | R | 39.7 | Very low | 46.1 | Very low | 235 Ų | 235 | 134.9 Ų | 134.9 | 89% | 0.887 | 65% | 0.646 | S | S | * | * | trans | -98.9 | 88.1 | 170.1 | -87.4 | -171.7 | 168.6 | 177.1 | -2.8 | 109.1 | K403 | K403-R405 PolarHBondContact O-N 2.92Š| ||
| 406 | Q | 31.4 | Very low | 45.1 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 86% | 0.864 | 64% | 0.642 | S | S | * | * | trans | 38.6 | 88.3 | 154.6 | -65.5 | -179.8 | -16.6 | 0 | 0 | 115.3 | S408 | Q406-S408 VanDerWaalsContact C-N 3.3Å; Q406-S408 PolarHBondContact O-N 3.41Å | ||
| 407 | I | 35.9 | Very low | 43.8 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 74% | 0.744 | 67% | 0.666 | S | S | * | * | trans | -68.9 | 97.6 | 155.6 | -62.2 | 177 | 0 | 0 | 0 | 106.9 | ||||
| 408 | S | 34.6 | Very low | 42.3 | Very low | 86 Ų | 86 | 143.3 Ų | 143.3 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | trans | -60.7 | 136.7 | 166.6 | 48.5 | 0 | 0 | 0 | 0 | 109.8 | Q406 I410 | Q406-S408 VanDerWaalsContact C-N 3.3Å; Q406-S408 PolarHBondContact O-N 3.41Å; S408-I410 PolarHBondContact O-N 2.66Å | ||
| 409 | Y | 30.6 | Very low | 40.9 | Very low | 222 Ų | 222 | 145.4 Ų | 145.4 | 87% | 0.871 | 70% | 0.7 | S | S | * | * | trans | -58.6 | 107.1 | 173.9 | -71.2 | -96.7 | 0 | 0 | 0 | 110.7 | ||||
| 410 | I | 41.9 | Very low | 39.9 | Very low | 146 Ų | 146 | 147 Ų | 147 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | trans | -119.1 | 96.1 | 159.2 | -60 | -178.1 | 0 | 0 | 0 | 106.6 | S408 N412 | S408-I410 PolarHBondContact O-N 2.66Å; I410-N412 PolarHBondContact O-N 3.17Å | ||
| 411 | N | 34.9 | Very low | 39.2 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -63.7 | 115.3 | 159.4 | -66.4 | -23.9 | 0 | 0 | 0 | 107 | ||||
| 412 | N | 41.1 | Very low | 38.8 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | -173 | 158 | 128.8 | -92.9 | -15.5 | 0 | 0 | 0 | 112.2 | I410 | I410-N412 PolarHBondContact O-N 3.17Š| |||
| 413 | E | 40.9 | Very low | 39.3 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | -47.3 | 146.6 | -176.9 | -56.9 | 175.9 | 85.5 | 0 | 0 | 115.6 | ||||
| 414 | K | 33.5 | Very low | 40.2 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | trans | 49.3 | 87.1 | 149.5 | -61 | 163.1 | -175 | 147.2 | 0 | 116 | ||||
| 415 | D | 35.7 | Very low | 41.8 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 65% | 0.651 | S | S | * | * | trans | -170.7 | 150.8 | 130.1 | -103.8 | -27.1 | 0 | 0 | 0 | 114.4 | ||||
| 416 | V | 33.5 | Very low | 43.9 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 72% | 0.715 | 62% | 0.618 | S | S | * | * | trans | 57.1 | 117.2 | 159.6 | -177.5 | 0 | 0 | 0 | 0 | 119.2 | S418 | V416-S418 PolarHBondContact O-N 3.18Š| ||
| 417 | W | 32.8 | Very low | 46.4 | Very low | 227 Ų | 227 | 115 Ų | 115 | 86% | 0.86 | 58% | 0.577 | S | S | * | * | trans | -54.6 | 95.6 | 168.5 | -60.9 | 89.4 | 0 | 0 | 0 | 112.8 | ||||
| 418 | S | 32.1 | Very low | 48.8 | Very low | 105 Ų | 105 | 108.9 Ų | 108.9 | 73% | 0.734 | 55% | 0.545 | S | S | * | . | trans | -96.2 | 104.7 | 166.3 | 29.3 | 0 | 0 | 0 | 0 | 108.8 | V416 K420 | V416-S418 PolarHBondContact O-N 3.18Å; S418-K420 PolarHBondContact O-N 3.49Å | ||
| 419 | I | 38 | Very low | 51.3 | Low | 121 Ų | 121 | 104.8 Ų | 104.8 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | trans | -55.5 | 114.2 | 172.2 | -61.4 | 169.6 | 0 | 0 | 0 | 107.4 | T421 | I419-T421 PolarHBondContact O-N 3.25Å; I419-T421 VanDerWaalsContact O-N 3.1Å | ||
| 420 | K | 43.4 | Very low | 54 | Low | 122 Ų | 122 | 97.4 Ų | 97.4 | 53% | 0.53 | 49% | 0.49 | S | S | . | . | trans | -63 | 116 | 171.2 | -72.6 | -177.1 | -179.7 | 174.6 | 0 | 107 | H280 S418 N422 | H280-K420 PolarHBondContact CD2-NZ 3.34Å; H280-K420 PolarHBondContact NE2-NZ 3.36Å; S418-K420 PolarHBondContact O-N 3.49Å; K420-N422 PolarHBondContact O-N 3.16Å | ||
| 421 | T | 46.4 | Very low | 56.1 | Low | 87 Ų | 87 | 91.1 Ų | 91.1 | 53% | 0.534 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -67.9 | 3.7 | -162.8 | 40.8 | 0 | 0 | 0 | 0 | 115.7 | I419 E423 I424 | I419-T421 PolarHBondContact O-N 3.25Å; I419-T421 VanDerWaalsContact O-N 3.1Å; T421-E423 PolarHBondContact O-N 2.96Å; T421-E423 VanDerWaalsContact O-N 3.1Å; T421-I424 PolarHBondContact O-N 3.04Å |
| 422 | N | 49.1 | Very low | 58.5 | Low | 91 Ų | 91 | 89.6 Ų | 89.6 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -76.5 | 1.8 | -166.1 | -65.4 | 29.6 | 0 | 0 | 0 | 114.5 | D404 K420 | D404-N422 PolarHBondContact OD1-ND2 3.11Å; K420-N422 PolarHBondContact O-N 3.16Å |
| 423 | E | 59.9 | Low | 60.6 | Low | 71 Ų | 71 | 82.8 Ų | 82.8 | 33% | 0.332 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -114.7 | -10.9 | -179.6 | -64.7 | 178.8 | 164.6 | 0 | 0 | 113.9 | H239 P279 T421 | H239-E423 IonicContact CE1-OE1 2.85Å; H239-E423 PolarHBondContact CE1-OE1 2.95Å; P279-E423 WeakPolarHBondContact CA-OE1 3.28Å; P279-E423 WeakPolarHBondContact CB-OE1 3.5Å; P279-E423 WeakPolarHBondContact CB-OE2 3.28Å; T421-E423 PolarHBondContact O-N 2.96Å; T421-E423 VanDerWaalsContact O-N 3.1Å |
| 424 | I | 67.9 | Low | 62.6 | Low | 59 Ų | 59 | 80 Ų | 80 | 30% | 0.303 | 40% | 0.399 | S | S | . | . | trans | -102.5 | 115.9 | 176.1 | -58.4 | 174.3 | 0 | 0 | 0 | 107.9 | P317 K368 G369 T421 | P317-I424 HydrophobicContact CG-CG1 4.33Å; K368-I424 HydrophobicContact CB-CG2 3.97Å; K368-I424 HydrophobicContact CG-CG2 4.38Å; G369-I424 WeakPolarHBondContact O-CA 3.46Å; T421-I424 PolarHBondContact O-N 3.04Å | ||
| 425 | I | 74.6 | Confident | 64.8 | Low | 5 Ų | 5 | 74.7 Ų | 74.7 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 155.5 | 171.9 | 67.1 | 167.2 | 0 | 0 | 0 | 110.4 | K368 G369 S370 I371 L373 Y401 V427 | K368-I425 WeakPolarHBondContact CA-O 3.5Å; G369-I425 PolarHBondContact N-O 3.42Å; G369-I425 PolarHBondContact O-N 3.06Å; S370-I425 WeakPolarHBondContact O-CD1 3.48Å; S370-I425 WeakPolarHBondContact O-CG1 3.5Å; I371-I425 HydrophobicContact CG1-CG2 4.17Å; I371-I425 WeakPolarHBondContact O-CD1 3.47Å; L373-I425 HydrophobicContact CB-CD1 4.29Å; L373-I425 HydrophobicContact CB-CG1 4.48Å; Y401-I425 HydrophobicContact CD1-CG2 3.81Å; Y401-I425 HydrophobicContact CE1-CG2 3.85Å; I425-V427 HydrophobicContact CD1-CG2 3.66Å; I425-V427 HydrophobicContact CG1-CG2 4.13Å |
| 426 | K | 83.1 | Confident | 66.7 | Low | 45 Ų | 45 | 72.8 Ų | 72.8 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.1 | 169 | 171.3 | 174 | 174.7 | 140.6 | 0 | 108.5 | E322 S366 M367 K368 K400 E428 | E322-K426 IonicContact OE1-NZ 2.67Å; E322-K426 PolarHBondContact OE1-NZ 2.04Å; E322-K426 WeakPolarHBondContact OE2-CD 3.4Å; E322-K426 WeakPolarHBondContact OE2-CE 3.45Å; E322-K426 IonicContact OE2-NZ 3.91Å; E322-K426 PolarHBondContact OE2-NZ 2.84Å; S366-K426 VanDerWaalsContact OG-CE 3.25Å; S366-K426 WeakPolarHBondContact OG-CE 3.47Å; S366-K426 PolarHBondContact OG-NZ 3.05Å; M367-K426 WeakPolarHBondContact O-CA 3.07Å; K368-K426 HydrophobicContact CG-CB 4.35Å; K400-K426 WeakPolarHBondContact CA-O 3.34Å; K400-K426 HydrophobicContact CB-CB 4.18Å; K400-K426 HydrophobicContact CB-CG 4.34Å; K400-K426 HydrophobicContact CD-CD 4.35Å; K400-K426 PolarHBondContact N-O 3.37Å; K400-K426 PolarHBondContact O-N 3.4Å; K426-E428 WeakPolarHBondContact CE-OE1 3.44Å; K426-E428 IonicContact NZ-OE1 3.64Å; K426-E428 PolarHBondContact NZ-OE1 3.23Å |
| 427 | V | 83.8 | Confident | 68.8 | Low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.2 | 177.3 | -172.5 | 0 | 0 | 0 | 0 | 108.1 | S366 M367 L373 I375 I397 I425 | S366-V427 WeakPolarHBondContact CA-O 3.22Å; M367-V427 PolarHBondContact N-O 2.67Å; M367-V427 PolarHBondContact O-N 3.39Å; L373-V427 HydrophobicContact CB-CG2 4.45Å; L373-V427 HydrophobicContact CD2-CB 4.27Å; L373-V427 HydrophobicContact CD2-CG2 4Å; L373-V427 HydrophobicContact CG-CG2 4.25Å; I375-V427 HydrophobicContact CD1-CB 3.9Å; I375-V427 HydrophobicContact CD1-CG1 3.77Å; I375-V427 WeakPolarHBondContact CD1-O 3.49Å; I375-V427 HydrophobicContact CG1-CB 4.26Å; I375-V427 HydrophobicContact CG1-CG1 3.95Å; I397-V427 HydrophobicContact CG2-CG1 3.77Å; I425-V427 HydrophobicContact CD1-CG2 3.66Å; I425-V427 HydrophobicContact CG1-CG2 4.13Å |
| 428 | E | 86.8 | Confident | 70.9 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.6 | 175.1 | -68.6 | 177.3 | 168.7 | 0 | 0 | 109.5 | R323 C365 S366 I397 I398 K400 K426 | R323-E428 IonicContact CZ-OE1 3.2Å; R323-E428 IonicContact NE-OE1 3.65Å; R323-E428 IonicContact NH2-OE1 3.82Å; R323-E428 PolarHBondContact NH2-OE1 2.88Å; R323-E428 IonicContact NH2-OE2 3.63Å; R323-E428 PolarHBondContact NH2-OE2 3.01Å; C365-E428 CarbonylContact O-C 3.6Å; C365-E428 VanDerWaalsContact O-CA 3.3Å; C365-E428 WeakPolarHBondContact O-CA 3.46Å; S366-E428 WeakPolarHBondContact OG-CG 3.5Å; I397-E428 CarbonylContact C-O 3.46Å; I397-E428 WeakPolarHBondContact CA-O 3.46Å; I398-E428 PolarHBondContact N-O 3.11Å; I398-E428 PolarHBondContact O-N 3.42Å; K400-E428 WeakPolarHBondContact CE-OE2 3.49Å; K400-E428 IonicContact NZ-OE1 2.72Å; K400-E428 PolarHBondContact NZ-OE1 3.03Å; K400-E428 IonicContact NZ-OE2 3.24Å; K400-E428 PolarHBondContact NZ-OE2 2.71Å; K426-E428 WeakPolarHBondContact CE-OE1 3.44Å; K426-E428 IonicContact NZ-OE1 3.64Å; K426-E428 PolarHBondContact NZ-OE1 3.23Å |
| 429 | S | 87.6 | Confident | 73.3 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132.8 | 177.5 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | T364 C365 W377 H396 | T364-S429 CarbonylContact C-O 3.57Å; T364-S429 WeakPolarHBondContact CA-O 3.44Å; C365-S429 PolarHBondContact N-O 3.01Å; C365-S429 PolarHBondContact O-N 3.07Å; W377-S429 PolarHBondContact NE1-OG 3.18Å; H396-S429 VanDerWaalsContact O-CA 3.31Å; H396-S429 WeakPolarHBondContact O-CA 3.25Å |
| 430 | E | 86.9 | Confident | 75.5 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.7 | 176.5 | -49.9 | -170 | 153.1 | 0 | 0 | 112 | L363 T364 V392 H396 | L363-E430 CarbonylContact O-C 3.54Å; L363-E430 WeakPolarHBondContact O-CA 3.24Å; T364-E430 HydrophobicContact CG2-CB 4.28Å; T364-E430 HydrophobicContact CG2-CG 3.83Å; V392-E430 WeakPolarHBondContact CG1-O 3.49Å; H396-E430 HydrophobicContact CB-CB 4.11Å; H396-E430 VanDerWaalsContact CB-O 3.31Å; H396-E430 WeakPolarHBondContact CB-O 3.43Å; H396-E430 PolarHBondContact O-N 3.14Å; H396-E430 VanDerWaalsContact O-N 3.1Å |
| 431 | L | 86.9 | Confident | 77.6 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 121.3 | 176.7 | 171.6 | 64.6 | 0 | 0 | 0 | 109.5 | L363 W377 V390 V392 V433 Y442 | L363-L431 HydrophobicContact CD1-CD2 4.47Å; L363-L431 PolarHBondContact N-O 3.41Å; L363-L431 PolarHBondContact O-N 2.8Å; W377-L431 HydrophobicContact CB-CD2 3.99Å; W377-L431 HydrophobicContact CD2-CB 3.99Å; W377-L431 HydrophobicContact CD2-CD2 3.71Å; W377-L431 HydrophobicContact CD2-CG 4.49Å; W377-L431 HydrophobicContact CE3-CD2 3.73Å; W377-L431 HydrophobicContact CG-CB 4.25Å; W377-L431 HydrophobicContact CG-CD2 3.86Å; W377-L431 HydrophobicContact CZ2-CB 4.19Å; W377-L431 HydrophobicContact CZ3-CD2 4.43Å; V390-L431 HydrophobicContact CG1-CD1 3.68Å; V390-L431 HydrophobicContact CG1-CD2 4.5Å; V392-L431 HydrophobicContact CG2-CD1 3.98Å; L431-V433 HydrophobicContact CD1-CG1 4.43Å; L431-V433 HydrophobicContact CD2-CG1 3.71Å; L431-V433 HydrophobicContact CG-CG1 3.69Å; L431-Y442 HydrophobicContact CD2-CD1 4Å; L431-Y442 HydrophobicContact CD2-CE1 4.38Å |
| 432 | E | 85 | Confident | 79.6 | Confident | 104 Ų | 104 | 48.7 Ų | 48.7 | 49% | 0.486 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 126.8 | 167.1 | -175.5 | 161.6 | -170.2 | 0 | 0 | 109.8 | N330 S360 | N330-E432 PolarHBondContact ND2-OE1 3.41Å; N330-E432 VanDerWaalsContact ND2-OE1 3.17Å; S360-E432 WeakPolarHBondContact CB-OE1 3.43Å; S360-E432 PolarHBondContact OG-OE1 2.83Å |
| 433 | V | 85.8 | Confident | 81.6 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 142 | -179.9 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | S360 V361 L363 L431 Y442 L459 W461 | S360-V433 CarbonylContact C-O 3.41Å; S360-V433 VanDerWaalsContact CA-O 3.24Å; S360-V433 WeakPolarHBondContact CA-O 3.35Å; S360-V433 WeakPolarHBondContact CB-O 3.45Å; V361-V433 HydrophobicContact CB-CG2 4.04Å; V361-V433 HydrophobicContact CG1-CG2 4.42Å; V361-V433 PolarHBondContact N-O 3.45Å; V361-V433 WeakPolarHBondContact O-CG2 3.37Å; V361-V433 PolarHBondContact O-N 3.23Å; L363-V433 HydrophobicContact CD1-CG1 3.91Å; L363-V433 HydrophobicContact CD1-CG2 4.3Å; L363-V433 HydrophobicContact CG-CG1 4.39Å; L363-V433 HydrophobicContact CG-CG2 4.28Å; L431-V433 HydrophobicContact CD1-CG1 4.43Å; L431-V433 HydrophobicContact CD2-CG1 3.71Å; L431-V433 HydrophobicContact CG-CG1 3.69Å; V433-Y442 HydrophobicContact CB-CE1 4.46Å; V433-Y442 HydrophobicContact CB-CE2 3.93Å; V433-Y442 HydrophobicContact CG1-CD1 4.1Å; V433-Y442 HydrophobicContact CG1-CD2 4.16Å; V433-Y442 HydrophobicContact CG1-CE1 3.67Å; V433-Y442 HydrophobicContact CG1-CE2 3.74Å; V433-Y442 HydrophobicContact CG1-CG 4.33Å; V433-Y442 VanDerWaalsContact CG1-CZ 3.48Å; V433-Y442 HydrophobicContact CG2-CE2 4.22Å; V433-L459 HydrophobicContact CG2-CD1 3.55Å; V433-W461 HydrophobicContact CG2-CH2 4.47Å; V433-W461 HydrophobicContact CG2-CZ2 4.41Å |
| 434 | I | 81.6 | Confident | 83.1 | Confident | 92 Ų | 92 | 41.2 Ų | 41.2 | 47% | 0.472 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.5 | 177.8 | -57.9 | 175.4 | 0 | 0 | 0 | 107.3 | H358 Q436 | H358-I434 HydrophobicContact CB-CG2 3.33Å; I434-Q436 PolarHBondContact O-N 2.75Å |
| 435 | Q | 79.9 | Confident | 84.1 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 29% | 0.285 | 19% | 0.189 | S | C | . | . | trans | -51.5 | 119.5 | 178.5 | -180 | 174.4 | 12.8 | 0 | 0 | 112.6 | S359 W461 | S359-Q435 PolarHBondContact O-N 3.26Å; Q435-W461 HydrophobicContact CB-CD2 3.69Å; Q435-W461 HydrophobicContact CB-CE3 3.93Å; Q435-W461 HydrophobicContact CB-CG 4.15Å; Q435-W461 HydrophobicContact CB-CH2 4.18Å; Q435-W461 HydrophobicContact CB-CZ2 3.95Å; Q435-W461 HydrophobicContact CB-CZ3 4.16Å; Q435-W461 HydrophobicContact CG-CB 4.15Å; Q435-W461 HydrophobicContact CG-CD2 3.76Å; Q435-W461 HydrophobicContact CG-CE3 4.35Å; Q435-W461 HydrophobicContact CG-CG 3.65Å; Q435-W461 VanDerWaalsContact NE2-CB 3.3Å | ||
| 436 | Q | 75.7 | Confident | 84.7 | Confident | 118 Ų | 118 | 39.2 Ų | 39.2 | 55% | 0.551 | 19% | 0.188 | S | C | * | . | trans | -107.2 | -46.9 | 172.4 | -63.6 | -167.6 | 0.9 | 0 | 0 | 111.9 | Y379 I434 D440 | Y379-Q436 PolarHBondContact OH-OE1 2.92Å; I434-Q436 PolarHBondContact O-N 2.75Å; Q436-D440 PolarHBondContact N-OD2 2.83Å | ||
| 437 | H | 76.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 40.3 Ų | 40.3 | 34% | 0.343 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -122.7 | -176.6 | 178.4 | -55.4 | 91 | 0 | 0 | 0 | 111.4 | Y379 I439 D440 | Y379-H437 PolarHBondContact OH-CE1 2.78Å; Y379-H437 PolarHBondContact OH-ND1 3.21Å; H437-I439 VanDerWaalsContact C-N 3.28Å; H437-D440 WeakPolarHBondContact CB-OD1 3.04Å; H437-D440 IonicContact CG-OD1 3.81Å; H437-D440 PolarHBondContact N-OD1 3.29Å; H437-D440 PolarHBondContact N-OD2 2.95Å; H437-D440 IonicContact ND1-OD1 2.84Å; H437-D440 PolarHBondContact ND1-OD1 3.41Å |
| 438 | Q | 77.8 | Confident | 84.4 | Confident | 105 Ų | 105 | 40.9 Ų | 40.9 | 49% | 0.491 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -68.2 | -31.9 | 171.7 | -174.7 | -179.8 | -4.7 | 0 | 0 | 111.9 | W461 L463 | Q438-W461 PolarHBondContact O-N 3.45Å; Q438-W461 VanDerWaalsContact O-N 3.08Å; Q438-L463 HydrophobicContact CG-CD2 4.25Å |
| 439 | I | 82.6 | Confident | 83.6 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 110.7 | 176.8 | -56.9 | 180 | 0 | 0 | 0 | 107.4 | N382 H437 R458 L459 Q460 | N382-I439 PolarHBondContact ND2-O 2.91Å; H437-I439 VanDerWaalsContact C-N 3.28Å; I439-R458 HydrophobicContact CG2-CG 3.77Å; I439-L459 VanDerWaalsContact CA-O 3.31Å; I439-L459 WeakPolarHBondContact CA-O 3.24Å; I439-Q460 HydrophobicContact CG1-CG 4.43Å |
| 440 | D | 84.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 146.4 | 174.3 | -66.6 | -36.5 | 0 | 0 | 0 | 109.8 | Y379 Q436 H437 Y442 L459 W461 | Y379-D440 HydrophobicContact CE2-CB 4.14Å; Y379-D440 PolarHBondContact OH-OD1 2.84Å; Q436-D440 PolarHBondContact N-OD2 2.83Å; H437-D440 WeakPolarHBondContact CB-OD1 3.04Å; H437-D440 IonicContact CG-OD1 3.81Å; H437-D440 PolarHBondContact N-OD1 3.29Å; H437-D440 PolarHBondContact N-OD2 2.95Å; H437-D440 IonicContact ND1-OD1 2.84Å; H437-D440 PolarHBondContact ND1-OD1 3.41Å; D440-Y442 HydrophobicContact CB-CE2 3.84Å; D440-L459 PolarHBondContact N-O 2.84Å; D440-L459 PolarHBondContact O-N 3.49Å; D440-W461 PolarHBondContact OD2-NE1 3.11Å |
| 441 | M | 87 | Confident | 82.5 | Confident | 45 Ų | 45 | 44.7 Ų | 44.7 | 22% | 0.222 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.9 | -179.3 | -68.7 | -167.2 | -51.8 | 0 | 0 | 111.5 | Y379 H380 N382 V457 R458 | Y379-M441 WeakPolarHBondContact CD2-O 3.03Å; H380-M441 HydrophobicContact CB-CB 3.99Å; H380-M441 HydrophobicContact CB-CE 4.28Å; H380-M441 PolarHBondContact N-O 2.85Å; N382-M441 WeakPolarHBondContact OD1-CE 3.48Å; M441-V457 WeakPolarHBondContact CA-O 3.5Å; M441-R458 HydrophobicContact CG-CB 4.17Å; M441-R458 HydrophobicContact CG-CG 3.95Å; M441-R458 HydrophobicContact SD-CG 4.25Å |
| 442 | Y | 89.4 | Confident | 82.4 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.8 | -178.1 | -66 | -88.7 | 0 | 0 | 0 | 110.5 | L363 Y378 Y379 V390 L431 V433 D440 T456 V457 L459 | L363-Y442 HydrophobicContact CD1-CD2 4.16Å; L363-Y442 HydrophobicContact CD1-CG 4.11Å; Y378-Y442 CarbonylContact O-C 3.55Å; Y378-Y442 VanDerWaalsContact O-CA 3.27Å; Y378-Y442 WeakPolarHBondContact O-CA 3.32Å; Y379-Y442 AromaticContact CD2-CD1 3.89Å; Y379-Y442 HydrophobicContact CD2-CD1 3.89Å; Y379-Y442 HydrophobicContact CD2-CD2 4.46Å; Y379-Y442 AromaticContact CD2-CE1 3.42Å; Y379-Y442 HydrophobicContact CD2-CE1 3.42Å; Y379-Y442 VanDerWaalsContact CD2-CE1 3.42Å; Y379-Y442 HydrophobicContact CD2-CE2 4.05Å; Y379-Y442 HydrophobicContact CD2-CG 4.38Å; Y379-Y442 AromaticContact CD2-CZ 3.5Å; Y379-Y442 VanDerWaalsContact CD2-CZ 3.5Å; Y379-Y442 HydrophobicContact CE2-CE1 4.29Å; Y379-Y442 HydrophobicContact CE2-CE2 4.29Å; Y379-Y442 AromaticContact CE2-CZ 3.92Å; Y379-Y442 HydrophobicContact CG-CD1 4.39Å; Y379-Y442 AromaticContact CG-CE1 3.9Å; Y379-Y442 HydrophobicContact CG-CE1 3.9Å; V390-Y442 HydrophobicContact CG2-CE1 4.5Å; L431-Y442 HydrophobicContact CD2-CD1 4Å; L431-Y442 HydrophobicContact CD2-CE1 4.38Å; V433-Y442 HydrophobicContact CB-CE1 4.46Å; V433-Y442 HydrophobicContact CB-CE2 3.93Å; V433-Y442 HydrophobicContact CG1-CD1 4.1Å; V433-Y442 HydrophobicContact CG1-CD2 4.16Å; V433-Y442 HydrophobicContact CG1-CE1 3.67Å; V433-Y442 HydrophobicContact CG1-CE2 3.74Å; V433-Y442 HydrophobicContact CG1-CG 4.33Å; V433-Y442 VanDerWaalsContact CG1-CZ 3.48Å; V433-Y442 HydrophobicContact CG2-CE2 4.22Å; D440-Y442 HydrophobicContact CB-CE2 3.84Å; Y442-T456 CarbonylContact O-C 3.6Å; Y442-T456 WeakPolarHBondContact O-CA 3.47Å; Y442-V457 PolarHBondContact N-O 2.84Å; Y442-V457 PolarHBondContact O-N 3.42Å; Y442-L459 HydrophobicContact CD2-CD1 4.23Å; Y442-L459 HydrophobicContact CE2-CD1 4.24Å |
| 443 | S | 90.2 | Very high | 82.4 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.2 | 170.1 | -74.6 | 0 | 0 | 0 | 0 | 110.9 | W377 Y378 H380 A455 T456 | W377-S443 CarbonylContact C-O 3.39Å; W377-S443 WeakPolarHBondContact CA-O 3.45Å; Y378-S443 PolarHBondContact N-O 2.74Å; Y378-S443 PolarHBondContact O-N 2.88Å; H380-S443 PolarHBondContact NE2-OG 2.96Å; S443-A455 CarbonylContact C-O 3.6Å; S443-A455 WeakPolarHBondContact CA-O 3.35Å; S443-T456 VanDerWaalsContact OG-CG2 3.24Å; S443-T456 WeakPolarHBondContact OG-CG2 3.31Å |
| 444 | C | 91 | Very high | 82.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.4 | 156.6 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | C365 M367 I375 W377 A455 | C365-C444 HydrophobicContact CB-CB 3.7Å; C365-C444 WeakPolarHBondContact CB-SG 3.31Å; C365-C444 WeakPolarHBondContact SG-CB 3.41Å; C365-C444 CovalentContact SG-SG 2.03Å; C365-C444 PolarHBondContact SG-SG 2.85Å; M367-C444 HydrophobicContact CE-CB 4.45Å; M367-C444 VanDerWaalsContact CE-SG 3.53Å; I375-C444 WeakPolarHBondContact CG2-SG 3.46Å; W377-C444 HydrophobicContact CD2-CB 4.29Å; W377-C444 HydrophobicContact CE3-CB 3.99Å; W377-C444 HydrophobicContact CH2-CB 3.92Å; W377-C444 HydrophobicContact CZ2-CB 4.21Å; W377-C444 HydrophobicContact CZ3-CB 3.8Å; C444-A455 HydrophobicContact CB-CB 4.44Å; C444-A455 PolarHBondContact N-O 2.76Å; C444-A455 PolarHBondContact O-N 3.17Å |
| 445 | I | 89 | Confident | 82.9 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 117.4 | 177.7 | -53.6 | -168.8 | 0 | 0 | 0 | 108.8 | I375 M376 Y378 I447 N452 V453 T454 | I375-I445 WeakPolarHBondContact CA-O 3.34Å; M376-I445 PolarHBondContact N-O 2.95Å; M376-I445 PolarHBondContact O-N 3.05Å; Y378-I445 HydrophobicContact CD2-CD1 3.61Å; Y378-I445 HydrophobicContact CD2-CG1 3.96Å; Y378-I445 HydrophobicContact CE2-CB 4.5Å; Y378-I445 HydrophobicContact CE2-CD1 3.74Å; Y378-I445 HydrophobicContact CE2-CG1 4.25Å; I445-I447 HydrophobicContact CG2-CD1 4.45Å; I445-I447 HydrophobicContact CG2-CG1 3.85Å; I445-N452 HydrophobicContact CG2-CB 4.42Å; I445-V453 WeakPolarHBondContact CA-O 3.23Å; I445-T454 HydrophobicContact CB-CG2 4.49Å; I445-T454 HydrophobicContact CD1-CG2 4.1Å; I445-T454 HydrophobicContact CG1-CG2 3.98Å; I445-T454 HydrophobicContact CG2-CG2 4.09Å |
| 446 | G | 87 | Confident | 83.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 119 | 167 | 0 | 0 | 0 | 0 | 0 | 109.2 | M367 S374 N452 V453 | M367-G446 WeakPolarHBondContact SD-CA 3.1Å; M367-G446 PolarHBondContact SD-N 3.25Å; S374-G446 CarbonylContact O-C 3.52Å; S374-G446 VanDerWaalsContact O-CA 3.29Å; S374-G446 WeakPolarHBondContact O-CA 3.44Å; G446-N452 CarbonylContact O-C 3.57Å; G446-N452 WeakPolarHBondContact O-CA 3.46Å; G446-N452 WeakPolarHBondContact O-CB 3.32Å; G446-V453 PolarHBondContact N-O 3.46Å; G446-V453 PolarHBondContact O-N 2.8Å |
| 447 | I | 83.3 | Confident | 83.9 | Confident | 68 Ų | 68 | 42.7 Ų | 42.7 | 35% | 0.349 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.1 | 173.2 | -57.1 | -168.7 | 0 | 0 | 0 | 108.3 | L373 S374 M376 I445 N452 | L373-I447 WeakPolarHBondContact CA-O 3.41Å; S374-I447 PolarHBondContact N-O 3.08Å; S374-I447 PolarHBondContact O-N 2.87Å; S374-I447 PolarHBondContact OG-O 2.81Å; M376-I447 HydrophobicContact CE-CD1 3.37Å; M376-I447 HydrophobicContact CE-CG1 4.18Å; I445-I447 HydrophobicContact CG2-CD1 4.45Å; I445-I447 HydrophobicContact CG2-CG1 3.85Å; I447-N452 HydrophobicContact CG1-CB 4.47Å |
| 448 | D | 78.7 | Confident | 84.4 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.059 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 164.4 | 175.3 | -161.1 | -8.5 | 0 | 0 | 0 | 108.7 | P319 S370 L373 I450 G451 | P319-D448 HydrophobicContact CB-CB 3.82Å; P319-D448 HydrophobicContact CG-CB 3.73Å; S370-D448 VanDerWaalsContact CB-OD1 3.28Å; S370-D448 WeakPolarHBondContact CB-OD1 3.35Å; S370-D448 PolarHBondContact N-OD2 3.26Å; S370-D448 PolarHBondContact OG-OD1 3.03Å; L373-D448 HydrophobicContact CD1-CB 4.07Å; D448-I450 PolarHBondContact O-N 3.26Å; D448-I450 VanDerWaalsContact O-N 3.1Å; D448-G451 CarbonylContact C-O 3.52Å; D448-G451 PolarHBondContact N-O 3.01Å; D448-G451 PolarHBondContact O-N 2.82Å |
| 449 | V | 69.9 | Low | 84.6 | Confident | 71 Ų | 71 | 42 Ų | 42 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.2 | 179.5 | -76.1 | 0 | 0 | 0 | 0 | 114.1 | Q243 D372 | Q243-V449 VanDerWaalsContact NE2-CB 3.27Å; D372-V449 HydrophobicContact CB-CG1 3.87Å; D372-V449 HydrophobicContact CB-CG2 4.46Å |
| 450 | I | 71.6 | Confident | 84.7 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 30% | 0.297 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -20.3 | -178.4 | -63.5 | 148.1 | 0 | 0 | 0 | 111.8 | C316 P317 P318 D448 | C316-I450 HydrophobicContact CB-CD1 3.49Å; C316-I450 VanDerWaalsContact CB-CD1 3.49Å; C316-I450 HydrophobicContact CB-CG1 3.76Å; C316-I450 HydrophobicContact CB-CG2 4.46Å; P317-I450 VanDerWaalsContact O-CD1 3.23Å; P317-I450 WeakPolarHBondContact O-CD1 3.48Å; P318-I450 HydrophobicContact CB-CG2 4.19Å; D448-I450 PolarHBondContact O-N 3.26Å; D448-I450 VanDerWaalsContact O-N 3.1Å |
| 451 | G | 78.4 | Confident | 84.5 | Confident | 34 Ų | 34 | 47.5 Ų | 47.5 | 35% | 0.351 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -169.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D448 | D448-G451 CarbonylContact C-O 3.52Å; D448-G451 PolarHBondContact N-O 3.01Å; D448-G451 PolarHBondContact O-N 2.82Å |
| 452 | N | 85.4 | Confident | 83.8 | Confident | 111 Ų | 111 | 48.5 Ų | 48.5 | 59% | 0.594 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 155.8 | 177.1 | 59.8 | 6.3 | 0 | 0 | 0 | 112.2 | I445 G446 I447 | I445-N452 HydrophobicContact CG2-CB 4.42Å; G446-N452 CarbonylContact O-C 3.57Å; G446-N452 WeakPolarHBondContact O-CA 3.46Å; G446-N452 WeakPolarHBondContact O-CB 3.32Å; I447-N452 HydrophobicContact CG1-CB 4.47Å |
| 453 | V | 85.9 | Confident | 82.4 | Confident | 25 Ų | 25 | 54 Ų | 54 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.7 | 171.9 | 57.7 | 0 | 0 | 0 | 0 | 108.4 | P319 L321 M367 I445 G446 | P319-V453 HydrophobicContact CB-CB 4.49Å; P319-V453 HydrophobicContact CB-CG1 3.79Å; P319-V453 HydrophobicContact CG-CB 4.34Å; P319-V453 HydrophobicContact CG-CG1 4.08Å; L321-V453 HydrophobicContact CB-CG2 4.14Å; M367-V453 HydrophobicContact CE-CG1 3.83Å; M367-V453 HydrophobicContact CG-CG1 4.36Å; M367-V453 HydrophobicContact SD-CG1 3.88Å; I445-V453 WeakPolarHBondContact CA-O 3.23Å; G446-V453 PolarHBondContact N-O 3.46Å; G446-V453 PolarHBondContact O-N 2.8Å |
| 454 | T | 89.5 | Confident | 80.7 | Confident | 88 Ų | 88 | 58.5 Ų | 58.5 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.8 | -176.3 | 58.5 | 0 | 0 | 0 | 0 | 110.4 | I445 | I445-T454 HydrophobicContact CB-CG2 4.49Å; I445-T454 HydrophobicContact CD1-CG2 4.1Å; I445-T454 HydrophobicContact CG1-CG2 3.98Å; I445-T454 HydrophobicContact CG2-CG2 4.09Å |
| 455 | A | 87.8 | Confident | 78.4 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 116.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L321 L324 S443 C444 | L321-A455 HydrophobicContact CD1-CB 3.98Å; L321-A455 HydrophobicContact CD2-CB 3.79Å; L324-A455 HydrophobicContact CD2-CB 3.99Å; S443-A455 CarbonylContact C-O 3.6Å; S443-A455 WeakPolarHBondContact CA-O 3.35Å; C444-A455 HydrophobicContact CB-CB 4.44Å; C444-A455 PolarHBondContact N-O 2.76Å; C444-A455 PolarHBondContact O-N 3.17Å |
| 456 | T | 87.8 | Confident | 76.2 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 66% | 0.656 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.8 | -178.1 | 40.8 | 0 | 0 | 0 | 0 | 111.4 | Y442 S443 | Y442-T456 CarbonylContact O-C 3.6Å; Y442-T456 WeakPolarHBondContact O-CA 3.47Å; S443-T456 VanDerWaalsContact OG-CG2 3.24Å; S443-T456 WeakPolarHBondContact OG-CG2 3.31Å |
| 457 | V | 87.5 | Confident | 74 | Confident | 15 Ų | 15 | 76.4 Ų | 76.4 | 9% | 0.091 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.5 | 171.1 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | L324 V326 L363 M441 Y442 L459 | L324-V457 HydrophobicContact CD1-CG2 4.03Å; L324-V457 HydrophobicContact CD2-CG2 3.55Å; L324-V457 HydrophobicContact CG-CG2 3.96Å; V326-V457 HydrophobicContact CG2-CG1 4.04Å; L363-V457 HydrophobicContact CD2-CG1 4.07Å; M441-V457 WeakPolarHBondContact CA-O 3.5Å; Y442-V457 PolarHBondContact N-O 2.84Å; Y442-V457 PolarHBondContact O-N 3.42Å; V457-L459 HydrophobicContact CG1-CD2 3.79Å; V457-L459 HydrophobicContact CG1-CG 4.07Å |
| 458 | R | 87.4 | Confident | 72 | Confident | 147 Ų | 147 | 79.8 Ų | 79.8 | 56% | 0.555 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 112.6 | 173.3 | -178.7 | 173.8 | -179.7 | 164.3 | 3.1 | 109.2 | I439 M441 | I439-R458 HydrophobicContact CG2-CG 3.77Å; M441-R458 HydrophobicContact CG-CB 4.17Å; M441-R458 HydrophobicContact CG-CG 3.95Å; M441-R458 HydrophobicContact SD-CG 4.25Å |
| 459 | L | 83.6 | Confident | 70.2 | Confident | 18 Ų | 18 | 86 Ų | 86 | 9% | 0.094 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 112.3 | -179.5 | -62.9 | 176.5 | 0 | 0 | 0 | 109.5 | V326 V361 L363 V433 I439 D440 Y442 V457 W461 | V326-L459 HydrophobicContact CG1-CD2 4.13Å; V361-L459 HydrophobicContact CG1-CD1 4.49Å; V361-L459 HydrophobicContact CG1-CD2 4.48Å; L363-L459 HydrophobicContact CD2-CD1 4.39Å; L363-L459 HydrophobicContact CD2-CD2 4.42Å; V433-L459 HydrophobicContact CG2-CD1 3.55Å; I439-L459 VanDerWaalsContact CA-O 3.31Å; I439-L459 WeakPolarHBondContact CA-O 3.24Å; D440-L459 PolarHBondContact N-O 2.84Å; D440-L459 PolarHBondContact O-N 3.49Å; Y442-L459 HydrophobicContact CD2-CD1 4.23Å; Y442-L459 HydrophobicContact CE2-CD1 4.24Å; V457-L459 HydrophobicContact CG1-CD2 3.79Å; V457-L459 HydrophobicContact CG1-CG 4.07Å; L459-W461 HydrophobicContact CD1-CZ2 4.1Å |
| 460 | Q | 83.5 | Confident | 68.8 | Low | 147 Ų | 147 | 86.6 Ų | 86.6 | 69% | 0.687 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 111.2 | 169.4 | -179.7 | 174.4 | -17.7 | 0 | 0 | 109 | I439 | I439-Q460 HydrophobicContact CG1-CG 4.43Å |
| 461 | W | 80.6 | Confident | 67.6 | Low | 10 Ų | 10 | 90.1 Ų | 90.1 | 4% | 0.038 | 48% | 0.479 | C | S | . | . | trans | -79.7 | 145.4 | -177.1 | -59.5 | 96.1 | 0 | 0 | 0 | 111.4 | L331 S359 V361 V433 Q435 Q438 D440 L459 L463 | L331-W461 HydrophobicContact CD1-CE3 4.16Å; L331-W461 HydrophobicContact CD1-CZ3 3.94Å; S359-W461 WeakPolarHBondContact O-CZ3 3.26Å; V361-W461 HydrophobicContact CB-CH2 4.01Å; V361-W461 HydrophobicContact CB-CZ3 4.41Å; V361-W461 HydrophobicContact CG2-CH2 3.71Å; V361-W461 HydrophobicContact CG2-CZ3 3.61Å; V433-W461 HydrophobicContact CG2-CH2 4.47Å; V433-W461 HydrophobicContact CG2-CZ2 4.41Å; Q435-W461 HydrophobicContact CB-CD2 3.69Å; Q435-W461 HydrophobicContact CB-CE3 3.93Å; Q435-W461 HydrophobicContact CB-CG 4.15Å; Q435-W461 HydrophobicContact CB-CH2 4.18Å; Q435-W461 HydrophobicContact CB-CZ2 3.95Å; Q435-W461 HydrophobicContact CB-CZ3 4.16Å; Q435-W461 HydrophobicContact CG-CB 4.15Å; Q435-W461 HydrophobicContact CG-CD2 3.76Å; Q435-W461 HydrophobicContact CG-CE3 4.35Å; Q435-W461 HydrophobicContact CG-CG 3.65Å; Q435-W461 VanDerWaalsContact NE2-CB 3.3Å; Q438-W461 PolarHBondContact O-N 3.45Å; Q438-W461 VanDerWaalsContact O-N 3.08Å; D440-W461 PolarHBondContact OD2-NE1 3.11Å; L459-W461 HydrophobicContact CD1-CZ2 4.1Å; W461-L463 PolarHBondContact O-N 2.63Å | ||
| 462 | P | 72.6 | Confident | 66.1 | Low | 66 Ų | 66 | 93.7 Ų | 93.7 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | trans | -66.6 | 131.3 | 178.6 | 27.4 | -34 | 0 | 0 | 0 | 111.2 | L331 I464 | L331-P462 HydrophobicContact CD2-CG 4.46Å; P462-I464 PolarHBondContact O-N 3.15Å | ||
| 463 | L | 59.5 | Low | 64 | Low | 125 Ų | 125 | 93.8 Ų | 93.8 | 65% | 0.654 | 49% | 0.489 | S | S | * | . | trans | -70.8 | 96.8 | 172.2 | -70.1 | 172.3 | 0 | 0 | 0 | 110 | Q438 W461 Q465 | Q438-L463 HydrophobicContact CG-CD2 4.25Å; W461-L463 PolarHBondContact O-N 2.63Å; L463-Q465 VanDerWaalsContact C-N 3.3Å; L463-Q465 PolarHBondContact O-N 2.92Å | ||
| 464 | I | 55 | Low | 61.8 | Low | 99 Ų | 99 | 98.4 Ų | 98.4 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | trans | -74.6 | 84.6 | 171.6 | -54 | 175.9 | 0 | 0 | 0 | 108.5 | M334 P462 L466 | M334-I464 HydrophobicContact SD-CD1 4.07Å; P462-I464 PolarHBondContact O-N 3.15Å; I464-L466 HydrophobicContact CG2-CD1 3.99Å; I464-L466 PolarHBondContact O-N 2.93Å | ||
| 465 | Q | 43.5 | Very low | 59.7 | Low | 138 Ų | 138 | 101.4 Ų | 101.4 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | trans | -72.1 | 94.4 | 167.4 | -77.3 | -170.4 | -18.1 | 0 | 0 | 109.5 | L463 T467 | L463-Q465 VanDerWaalsContact C-N 3.3Å; L463-Q465 PolarHBondContact O-N 2.92Å; Q465-T467 PolarHBondContact O-N 3.39Å | ||
| 466 | L | 41.1 | Very low | 57.5 | Low | 155 Ų | 155 | 107.1 Ų | 107.1 | 81% | 0.812 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 17.4 | -178.3 | -147.8 | 79.6 | 0 | 0 | 0 | 114.4 | I464 | I464-L466 HydrophobicContact CG2-CD1 3.99Å; I464-L466 PolarHBondContact O-N 2.93Å |
| 467 | T | 41.1 | Very low | 55.3 | Low | 105 Ų | 105 | 106.3 Ų | 106.3 | 64% | 0.644 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.3 | 9.3 | -163.1 | 46.2 | 0 | 0 | 0 | 0 | 115 | Q465 | Q465-T467 PolarHBondContact O-N 3.39Š|
| 468 | K | 40.9 | Very low | 53.4 | Low | 139 Ų | 139 | 112.2 Ų | 112.2 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -122.6 | 0.5 | 173.9 | -79.6 | -170.2 | 172.8 | -176.4 | 0 | 115.9 | ||
| 469 | L | 41.2 | Very low | 50.9 | Low | 141 Ų | 141 | 112.8 Ų | 112.8 | 74% | 0.738 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -78.5 | -27.6 | 177.3 | -122.6 | 75.4 | 0 | 0 | 0 | 113.1 | E471 | L469-E471 PolarHBondContact O-N 3.35Š|
| 470 | S | 42 | Very low | 48.6 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 58% | 0.58 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -14.6 | -176.3 | 52.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 471 | E | 45.7 | Very low | 46.3 | Very low | 133 Ų | 133 | 120.7 Ų | 120.7 | 62% | 0.621 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -20.6 | 179.5 | -68 | -173.8 | 138.7 | 0 | 0 | 113 | L469 | L469-E471 PolarHBondContact O-N 3.35Š|
| 472 | I | 46.3 | Very low | 44.1 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 56% | 0.559 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -37.3 | -175.5 | -61.4 | 176.9 | 0 | 0 | 0 | 111.3 | N474 Q475 L476 | I472-N474 VanDerWaalsContact C-N 3.26Å; I472-N474 PolarHBondContact O-N 3.44Å; I472-Q475 PolarHBondContact O-N 2.76Å; I472-L476 PolarHBondContact O-N 3.1Å |
| 473 | D | 41.2 | Very low | 42.3 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 60% | 0.604 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -27.1 | 177.2 | -76.1 | -27.6 | 0 | 0 | 0 | 113.2 | Q475 S477 | D473-Q475 VanDerWaalsContact C-N 3.34Å; D473-S477 PolarHBondContact O-OG 3.49Å |
| 474 | N | 40.5 | Very low | 41.1 | Very low | 121 Ų | 121 | 128 Ų | 128 | 65% | 0.647 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -13.1 | 176.7 | -79.7 | -27.9 | 0 | 0 | 0 | 114.3 | I472 | I472-N474 VanDerWaalsContact C-N 3.26Å; I472-N474 PolarHBondContact O-N 3.44Å |
| 475 | Q | 45.5 | Very low | 40.1 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 71% | 0.71 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -25.6 | 174.9 | -65.9 | -167.6 | -3.8 | 0 | 0 | 112.9 | I472 D473 S477 | I472-Q475 PolarHBondContact O-N 2.76Å; D473-Q475 VanDerWaalsContact C-N 3.34Å; Q475-S477 VanDerWaalsContact C-N 3.26Å; Q475-S477 PolarHBondContact O-N 3.28Å |
| 476 | L | 41.9 | Very low | 39.8 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 67% | 0.665 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -8.5 | -178.5 | -152.8 | 68.5 | 0 | 0 | 0 | 114.1 | I472 | I472-L476 PolarHBondContact O-N 3.1Š|
| 477 | S | 41.3 | Very low | 39.4 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -11.1 | 179.8 | 41.1 | 0 | 0 | 0 | 0 | 114.5 | D473 Q475 | D473-S477 PolarHBondContact O-OG 3.49Å; Q475-S477 VanDerWaalsContact C-N 3.26Å; Q475-S477 PolarHBondContact O-N 3.28Å |
| 478 | I | 46.7 | Very low | 39.1 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -100.7 | -13.9 | -173.6 | -62.4 | 174.1 | 0 | 0 | 0 | 112.9 | ||
| 479 | L | 36.3 | Very low | 38.6 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -116.7 | 67.6 | -173.8 | -83.5 | 158.2 | 0 | 0 | 0 | 113.1 | ||||
| 480 | K | 34.9 | Very low | 38.2 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -135.3 | 124.6 | 166.1 | -83 | -177.7 | 179 | 170.3 | 0 | 112 | ||||
| 481 | V | 35.7 | Very low | 37.8 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | trans | 74.7 | 95 | 166.4 | -166.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 482 | S | 34.4 | Very low | 37.1 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | trans | -153.1 | 141 | 132.2 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 483 | S | 33.2 | Very low | 36.4 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | -116.8 | 156.7 | -158.4 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 484 | N | 34.2 | Very low | 35.8 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 88.5 | 124.9 | 156.9 | -60.8 | -3.2 | 0 | 0 | 0 | 120.5 | ||||
| 485 | D | 34.9 | Very low | 35.3 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | 54.5 | 100.7 | 140.1 | -57.7 | -30.3 | 0 | 0 | 0 | 121.3 | ||||
| 486 | S | 37.7 | Very low | 34.5 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | -176.7 | 159.6 | 106.6 | 41.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 487 | K | 31.9 | Very low | 33.9 | Very low | 207 Ų | 207 | 143.7 Ų | 143.7 | 90% | 0.9 | 78% | 0.776 | S | S | * | * | trans | -61 | 133.7 | -177 | -62.3 | 161 | 174.6 | 170.1 | 0 | 113.1 | ||||
| 488 | S | 35.2 | Very low | 33.4 | Very low | 89 Ų | 89 | 144.9 Ų | 144.9 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | 172.4 | 123.3 | 109.8 | 60.6 | 0 | 0 | 0 | 0 | 115.4 | Y490 | S488-Y490 PolarHBondContact O-N 3.25Š| |||
| 489 | N | 30.2 | Very low | 32.6 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 55.2 | 44.4 | 133.7 | -60.3 | -2.6 | 0 | 0 | 0 | 122.3 | ||||
| 490 | Y | 31.9 | Very low | 32.2 | Very low | 223 Ų | 223 | 142 Ų | 142 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -142.9 | 57.3 | 159.8 | -70.2 | -72.7 | 0 | 0 | 0 | 114.4 | S488 | S488-Y490 PolarHBondContact O-N 3.25Š|
| 491 | L | 34.3 | Very low | 32 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -159 | 25.9 | 161.9 | -112.4 | 160.4 | 0 | 0 | 0 | 114.7 | N493 | L491-N493 VanDerWaalsContact C-N 3.26Å; L491-N493 PolarHBondContact O-N 2.96Å | ||
| 492 | N | 31.1 | Very low | 31.8 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 68.4 | 168.5 | -75.2 | -3.9 | 0 | 0 | 0 | 110.3 | ||
| 493 | N | 31.3 | Very low | 31.8 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.1 | 20.1 | 163.5 | -124.8 | 9.4 | 0 | 0 | 0 | 117.5 | L491 | L491-N493 VanDerWaalsContact C-N 3.26Å; L491-N493 PolarHBondContact O-N 2.96Å |
| 494 | W | 28.2 | Very low | 32.2 | Very low | 233 Ų | 233 | 138 Ų | 138 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -114.5 | 101.1 | 157.8 | -78.3 | -15.7 | 0 | 0 | 0 | 109.4 | T496 | W494-T496 PolarHBondContact O-N 3.23Š| ||
| 495 | S | 29.7 | Very low | 32.7 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | -61.1 | 109.3 | 164.4 | 51.2 | 0 | 0 | 0 | 0 | 108.5 | T497 | S495-T497 PolarHBondContact O-N 3.15Å; S495-T497 PolarHBondContact O-OG1 3.49Å; S495-T497 PolarHBondContact OG-OG1 3.14Å | ||
| 496 | T | 29 | Very low | 33 | Very low | 141 Ų | 141 | 139 Ų | 139 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | -68.6 | 54.3 | 154.5 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | W494 S498 | W494-T496 PolarHBondContact O-N 3.23Å; T496-S498 VanDerWaalsContact C-N 3.35Å; T496-S498 PolarHBondContact O-N 2.86Å | ||
| 497 | T | 30.2 | Very low | 33.2 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 52% | 0.515 | 74% | 0.735 | S | S | . | * | trans | -63.2 | 104.3 | 157.7 | 33.7 | 0 | 0 | 0 | 0 | 105.8 | S495 L499 | S495-T497 PolarHBondContact O-N 3.15Å; S495-T497 PolarHBondContact O-OG1 3.49Å; S495-T497 PolarHBondContact OG-OG1 3.14Å; T497-L499 PolarHBondContact O-N 3.49Å | ||
| 498 | S | 30.2 | Very low | 33.7 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -50.5 | 92.5 | 146.9 | 51.3 | 0 | 0 | 0 | 0 | 106.7 | T496 S500 | T496-S498 VanDerWaalsContact C-N 3.35Å; T496-S498 PolarHBondContact O-N 2.86Å; S498-S500 PolarHBondContact O-N 2.03Å | ||
| 499 | L | 29.4 | Very low | 34.4 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -60 | 121.2 | 178.2 | -110.4 | 83.8 | 0 | 0 | 0 | 106.3 | T497 | T497-L499 PolarHBondContact O-N 3.49Š| ||
| 500 | S | 28.2 | Very low | 35.9 | Very low | 87 Ų | 87 | 141.6 Ų | 141.6 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -56.2 | 146.1 | -175.7 | 44 | 0 | 0 | 0 | 0 | 110.3 | S498 S502 | S498-S500 PolarHBondContact O-N 2.03Å; S500-S502 WeakPolarHBondContact CB-OG 3.44Å; S500-S502 PolarHBondContact O-N 3.46Å; S500-S502 PolarHBondContact O-OG 3.43Å; S500-S502 PolarHBondContact OG-OG 3.49Å | ||
| 501 | Y | 31.3 | Very low | 37.9 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 69% | 0.694 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -70.7 | 70.3 | 175.2 | -153.4 | -88.7 | 0 | 0 | 0 | 109.3 | H507 | Y501-H507 HydrophobicContact CE1-CB 3.72Å; Y501-H507 PolarHBondContact OH-CD2 3.16Å; Y501-H507 VanDerWaalsContact OH-CD2 3.23Å |
| 502 | S | 32.2 | Very low | 40.3 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 48% | 0.476 | 71% | 0.706 | S | S | . | * | trans | -150 | 80.7 | -167.9 | 59.3 | 0 | 0 | 0 | 0 | 109.4 | S500 | S500-S502 WeakPolarHBondContact CB-OG 3.44Å; S500-S502 PolarHBondContact O-N 3.46Å; S500-S502 PolarHBondContact O-OG 3.43Å; S500-S502 PolarHBondContact OG-OG 3.49Å | ||
| 503 | N | 34.1 | Very low | 42.8 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 88% | 0.877 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 173.5 | -4.2 | 155.7 | -88.5 | -13 | 0 | 0 | 0 | 112 | V505 | N503-V505 PolarHBondContact O-N 3.12Å; N503-V505 VanDerWaalsContact O-N 3.15Å |
| 504 | S | 40.4 | Very low | 45.6 | Very low | 57 Ų | 57 | 127.2 Ų | 127.2 | 40% | 0.399 | 68% | 0.683 | S | S | . | * | trans | -74.8 | 94.9 | 167.1 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | L506 H507 | S504-L506 PolarHBondContact O-N 2.71Å; S504-H507 PolarHBondContact O-N 2.94Å; S504-H507 VanDerWaalsContact O-N 3.08Å | ||
| 505 | V | 45 | Very low | 48.4 | Very low | 138 Ų | 138 | 119.5 Ų | 119.5 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -13.1 | -179.4 | 176.3 | 0 | 0 | 0 | 0 | 113.8 | N503 | N503-V505 PolarHBondContact O-N 3.12Å; N503-V505 VanDerWaalsContact O-N 3.15Å |
| 506 | L | 42.2 | Very low | 51.2 | Low | 166 Ų | 166 | 119.4 Ų | 119.4 | 87% | 0.869 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 4.5 | 177.9 | -81.1 | 158.7 | 0 | 0 | 0 | 115.4 | S504 | S504-L506 PolarHBondContact O-N 2.71Š|
| 507 | H | 40.4 | Very low | 54.2 | Low | 127 Ų | 127 | 117.4 Ų | 117.4 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | trans | -129.1 | 47 | 171.8 | -76.8 | -61.9 | 0 | 0 | 0 | 112 | Y501 S504 K509 | Y501-H507 HydrophobicContact CE1-CB 3.72Å; Y501-H507 PolarHBondContact OH-CD2 3.16Å; Y501-H507 VanDerWaalsContact OH-CD2 3.23Å; S504-H507 PolarHBondContact O-N 2.94Å; S504-H507 VanDerWaalsContact O-N 3.08Å; H507-K509 PolarHBondContact O-N 3.48Å | ||
| 508 | M | 43.9 | Very low | 57.1 | Low | 160 Ų | 160 | 116.5 Ų | 116.5 | 79% | 0.788 | 63% | 0.633 | S | S | * | * | trans | -63.6 | 121.6 | 168.6 | -157.4 | 167.9 | 85.8 | 0 | 0 | 108.8 | Q510 | M508-Q510 PolarHBondContact O-N 3.37Š| ||
| 509 | K | 48.4 | Very low | 60 | Low | 153 Ų | 153 | 113.7 Ų | 113.7 | 67% | 0.665 | 62% | 0.617 | S | S | * | * | trans | -47.9 | 112.2 | -179.6 | -176.5 | -162.8 | 177.5 | -152.1 | 0 | 109.2 | H507 F511 E515 | H507-K509 PolarHBondContact O-N 3.48Å; K509-F511 PolarHBondContact O-N 3.11Å; K509-E515 IonicContact NZ-OE1 2.84Å; K509-E515 PolarHBondContact NZ-OE1 3.13Å; K509-E515 IonicContact NZ-OE2 3.65Å | ||
| 510 | Q | 63.3 | Low | 63 | Low | 181 Ų | 181 | 110.5 Ų | 110.5 | 85% | 0.846 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 132.7 | 171.4 | -77.3 | -179.4 | -16 | 0 | 0 | 108.3 | M508 S512 | M508-Q510 PolarHBondContact O-N 3.37Å; Q510-S512 PolarHBondContact O-N 3.47Å |
| 511 | F | 73.7 | Confident | 66.1 | Low | 140 Ų | 140 | 108.6 Ų | 108.6 | 61% | 0.614 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 128.2 | 174.3 | -63 | -75.1 | 0 | 0 | 0 | 108.8 | K509 E515 | K509-F511 PolarHBondContact O-N 3.11Å; F511-E515 WeakPolarHBondContact CA-OE2 3.31Å; F511-E515 HydrophobicContact CB-CB 4.04Å; F511-E515 HydrophobicContact CD1-CB 4.16Å |
| 512 | S | 84.7 | Confident | 69.2 | Low | 58 Ų | 58 | 102 Ų | 102 | 41% | 0.406 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 153.9 | 168.2 | 69.8 | 0 | 0 | 0 | 0 | 109.2 | Q510 G514 E515 L516 | Q510-S512 PolarHBondContact O-N 3.47Å; S512-G514 PolarHBondContact O-N 2.92Å; S512-E515 PolarHBondContact N-OE2 3.44Å; S512-E515 WeakPolarHBondContact O-CA 3.19Å; S512-E515 WeakPolarHBondContact O-CB 3.32Å; S512-E515 PolarHBondContact O-N 2.63Å; S512-E515 VanDerWaalsContact OG-CG 3.32Å; S512-E515 WeakPolarHBondContact OG-CG 3.28Å; S512-E515 PolarHBondContact OG-N 3.17Å; S512-E515 VanDerWaalsContact OG-N 3.17Å; S512-E515 PolarHBondContact OG-OE2 2.98Å; S512-L516 PolarHBondContact O-N 2.7Å |
| 513 | L | 83 | Confident | 72.1 | Confident | 130 Ų | 130 | 102.9 Ų | 102.9 | 68% | 0.681 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -53.1 | -34.9 | 177.9 | -174.9 | 64.7 | 0 | 0 | 0 | 111.9 | I517 | L513-I517 HydrophobicContact CD1-CD1 4.31Å; L513-I517 HydrophobicContact CG-CD1 3.96Å; L513-I517 WeakPolarHBondContact O-CB 3.4Å; L513-I517 WeakPolarHBondContact O-CD1 3.5Å; L513-I517 WeakPolarHBondContact O-CG1 3.05Å; L513-I517 PolarHBondContact O-N 2.75Å |
| 514 | G | 89.4 | Confident | 75 | Confident | 48 Ų | 48 | 101.8 Ų | 101.8 | 50% | 0.495 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.8 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S512 I517 A518 | S512-G514 PolarHBondContact O-N 2.92Å; G514-I517 PolarHBondContact O-N 2.71Å; G514-A518 VanDerWaalsContact O-CB 3.26Å; G514-A518 WeakPolarHBondContact O-CB 3.45Å; G514-A518 PolarHBondContact O-N 3.29Å |
| 515 | E | 88.7 | Confident | 77.6 | Confident | 72 Ų | 72 | 105 Ų | 105 | 34% | 0.336 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.3 | -39.8 | 174.4 | -73.3 | 162.7 | 163.9 | 0 | 0 | 111 | K509 F511 S512 A518 A519 | K509-E515 IonicContact NZ-OE1 2.84Å; K509-E515 PolarHBondContact NZ-OE1 3.13Å; K509-E515 IonicContact NZ-OE2 3.65Å; F511-E515 WeakPolarHBondContact CA-OE2 3.31Å; F511-E515 HydrophobicContact CB-CB 4.04Å; F511-E515 HydrophobicContact CD1-CB 4.16Å; S512-E515 PolarHBondContact N-OE2 3.44Å; S512-E515 WeakPolarHBondContact O-CA 3.19Å; S512-E515 WeakPolarHBondContact O-CB 3.32Å; S512-E515 PolarHBondContact O-N 2.63Å; S512-E515 VanDerWaalsContact OG-CG 3.32Å; S512-E515 WeakPolarHBondContact OG-CG 3.28Å; S512-E515 PolarHBondContact OG-N 3.17Å; S512-E515 VanDerWaalsContact OG-N 3.17Å; S512-E515 PolarHBondContact OG-OE2 2.98Å; E515-A518 PolarHBondContact O-N 3.09Å; E515-A519 WeakPolarHBondContact O-CB 3.48Å; E515-A519 PolarHBondContact O-N 3.46Å |
| 516 | L | 87.3 | Confident | 80 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 48% | 0.482 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -45.1 | 175.4 | -168.1 | 89.1 | 0 | 0 | 0 | 112.1 | S512 A519 T520 | S512-L516 PolarHBondContact O-N 2.7Å; L516-A519 PolarHBondContact O-N 3.43Å; L516-T520 WeakPolarHBondContact O-CG2 3.47Å; L516-T520 PolarHBondContact O-N 3.14Å; L516-T520 PolarHBondContact O-OG1 2.86Å |
| 517 | I | 91.4 | Very high | 82.5 | Confident | 99 Ų | 99 | 98 Ų | 98 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 177.1 | -69.4 | 166.5 | 0 | 0 | 0 | 110.5 | L513 G514 T520 A521 | L513-I517 HydrophobicContact CD1-CD1 4.31Å; L513-I517 HydrophobicContact CG-CD1 3.96Å; L513-I517 WeakPolarHBondContact O-CB 3.4Å; L513-I517 WeakPolarHBondContact O-CD1 3.5Å; L513-I517 WeakPolarHBondContact O-CG1 3.05Å; L513-I517 PolarHBondContact O-N 2.75Å; G514-I517 PolarHBondContact O-N 2.71Å; I517-T520 WeakPolarHBondContact CA-OG1 3.28Å; I517-T520 PolarHBondContact O-N 3.19Å; I517-T520 PolarHBondContact O-OG1 2.8Å; I517-T520 VanDerWaalsContact O-OG1 3.08Å; I517-A521 VanDerWaalsContact O-CB 3.23Å; I517-A521 WeakPolarHBondContact O-CB 3.44Å; I517-A521 PolarHBondContact O-N 3.17Å |
| 518 | A | 91.7 | Very high | 85.1 | Confident | 64 Ų | 64 | 95.7 Ų | 95.7 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G514 E515 G522 | G514-A518 VanDerWaalsContact O-CB 3.26Å; G514-A518 WeakPolarHBondContact O-CB 3.45Å; G514-A518 PolarHBondContact O-N 3.29Å; E515-A518 PolarHBondContact O-N 3.09Å; A518-G522 PolarHBondContact O-N 2.8Å |
| 519 | A | 91.2 | Very high | 87.4 | Confident | 57 Ų | 57 | 93.4 Ų | 93.4 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E515 L516 T523 | E515-A519 WeakPolarHBondContact O-CB 3.48Å; E515-A519 PolarHBondContact O-N 3.46Å; L516-A519 PolarHBondContact O-N 3.43Å; A519-T523 WeakPolarHBondContact O-CB 3.39Å; A519-T523 WeakPolarHBondContact O-CG2 3.42Å; A519-T523 PolarHBondContact O-N 3.38Å; A519-T523 PolarHBondContact O-OG1 3.47Å |
| 520 | T | 92.2 | Very high | 89.6 | Confident | 82 Ų | 82 | 90.9 Ų | 90.9 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.7 | -42.5 | 177.4 | 47.7 | 0 | 0 | 0 | 0 | 112.3 | L516 I517 T523 F524 | L516-T520 WeakPolarHBondContact O-CG2 3.47Å; L516-T520 PolarHBondContact O-N 3.14Å; L516-T520 PolarHBondContact O-OG1 2.86Å; I517-T520 WeakPolarHBondContact CA-OG1 3.28Å; I517-T520 PolarHBondContact O-N 3.19Å; I517-T520 PolarHBondContact O-OG1 2.8Å; I517-T520 VanDerWaalsContact O-OG1 3.08Å; T520-T523 WeakPolarHBondContact CA-OG1 3.23Å; T520-T523 PolarHBondContact O-OG1 2.96Å; T520-T523 VanDerWaalsContact O-OG1 3.06Å; T520-F524 WeakPolarHBondContact O-CB 3.3Å; T520-F524 PolarHBondContact O-N 3.02Å |
| 521 | A | 94.4 | Very high | 91.1 | Very high | 48 Ų | 48 | 89.5 Ų | 89.5 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I517 F524 L525 | I517-A521 VanDerWaalsContact O-CB 3.23Å; I517-A521 WeakPolarHBondContact O-CB 3.44Å; I517-A521 PolarHBondContact O-N 3.17Å; A521-F524 PolarHBondContact O-N 2.85Å; A521-L525 WeakPolarHBondContact O-CB 3.24Å; A521-L525 WeakPolarHBondContact O-CG 3.45Å; A521-L525 PolarHBondContact O-N 3.28Å |
| 522 | G | 94.8 | Very high | 92 | Very high | 37 Ų | 37 | 88.8 Ų | 88.8 | 38% | 0.381 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A518 L525 S526 | A518-G522 PolarHBondContact O-N 2.8Å; G522-L525 PolarHBondContact O-N 3.05Å; G522-S526 VanDerWaalsContact O-CB 3.28Å; G522-S526 WeakPolarHBondContact O-CB 3.4Å; G522-S526 PolarHBondContact O-N 2.6Å |
| 523 | T | 94.4 | Very high | 92.4 | Very high | 88 Ų | 88 | 90.5 Ų | 90.5 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 174.8 | 48 | 0 | 0 | 0 | 0 | 112.2 | A519 T520 T527 | A519-T523 WeakPolarHBondContact O-CB 3.39Å; A519-T523 WeakPolarHBondContact O-CG2 3.42Å; A519-T523 PolarHBondContact O-N 3.38Å; A519-T523 PolarHBondContact O-OG1 3.47Å; T520-T523 WeakPolarHBondContact CA-OG1 3.23Å; T520-T523 PolarHBondContact O-OG1 2.96Å; T520-T523 VanDerWaalsContact O-OG1 3.06Å; T523-T527 WeakPolarHBondContact O-CB 3.18Å; T523-T527 WeakPolarHBondContact O-CG2 3.47Å; T523-T527 PolarHBondContact O-N 3.28Å; T523-T527 PolarHBondContact O-OG1 2.9Å |
| 524 | F | 95 | Very high | 92.8 | Very high | 141 Ų | 141 | 88.1 Ų | 88.1 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -47 | 173.9 | -166.1 | -95.6 | 0 | 0 | 0 | 112.4 | T520 A521 S526 T527 V528 | T520-F524 WeakPolarHBondContact O-CB 3.3Å; T520-F524 PolarHBondContact O-N 3.02Å; A521-F524 PolarHBondContact O-N 2.85Å; F524-S526 PolarHBondContact O-N 3.49Å; F524-T527 WeakPolarHBondContact CA-OG1 3.44Å; F524-T527 PolarHBondContact O-N 3.19Å; F524-T527 PolarHBondContact O-OG1 3.11Å; F524-V528 HydrophobicContact CD1-CG2 4.19Å; F524-V528 HydrophobicContact CE1-CG2 3.92Å; F524-V528 HydrophobicContact CZ-CG2 4.3Å; F524-V528 VanDerWaalsContact O-CG2 3.31Å; F524-V528 WeakPolarHBondContact O-CG2 3.27Å; F524-V528 PolarHBondContact O-N 2.79Å |
| 525 | L | 95.1 | Very high | 92.8 | Very high | 123 Ų | 123 | 92.2 Ų | 92.2 | 64% | 0.644 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 176.2 | -77.4 | 166.5 | 0 | 0 | 0 | 112.4 | A521 G522 V528 L529 | A521-L525 WeakPolarHBondContact O-CB 3.24Å; A521-L525 WeakPolarHBondContact O-CG 3.45Å; A521-L525 PolarHBondContact O-N 3.28Å; G522-L525 PolarHBondContact O-N 3.05Å; L525-V528 PolarHBondContact O-N 3.3Å; L525-L529 WeakPolarHBondContact O-CB 3.35Å; L525-L529 PolarHBondContact O-N 2.9Å |
| 526 | S | 94.6 | Very high | 92.7 | Very high | 74 Ų | 74 | 92.7 Ų | 92.7 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 178.2 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | G522 F524 L530 | G522-S526 VanDerWaalsContact O-CB 3.28Å; G522-S526 WeakPolarHBondContact O-CB 3.4Å; G522-S526 PolarHBondContact O-N 2.6Å; F524-S526 PolarHBondContact O-N 3.49Å; S526-L530 VanDerWaalsContact O-CB 3.29Å; S526-L530 WeakPolarHBondContact O-CB 3.27Å; S526-L530 PolarHBondContact O-N 2.82Å |
| 527 | T | 94.2 | Very high | 92.6 | Very high | 84 Ų | 84 | 91.7 Ų | 91.7 | 52% | 0.515 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 177.5 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | T523 F524 L530 F531 | T523-T527 WeakPolarHBondContact O-CB 3.18Å; T523-T527 WeakPolarHBondContact O-CG2 3.47Å; T523-T527 PolarHBondContact O-N 3.28Å; T523-T527 PolarHBondContact O-OG1 2.9Å; F524-T527 WeakPolarHBondContact CA-OG1 3.44Å; F524-T527 PolarHBondContact O-N 3.19Å; F524-T527 PolarHBondContact O-OG1 3.11Å; T527-L530 PolarHBondContact O-N 3.09Å; T527-F531 WeakPolarHBondContact O-CB 3.24Å; T527-F531 PolarHBondContact O-N 3.3Å |
| 528 | V | 94.7 | Very high | 92.2 | Very high | 78 Ų | 78 | 91.7 Ų | 91.7 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | F524 L525 F531 F532 | F524-V528 HydrophobicContact CD1-CG2 4.19Å; F524-V528 HydrophobicContact CE1-CG2 3.92Å; F524-V528 HydrophobicContact CZ-CG2 4.3Å; F524-V528 VanDerWaalsContact O-CG2 3.31Å; F524-V528 WeakPolarHBondContact O-CG2 3.27Å; F524-V528 PolarHBondContact O-N 2.79Å; L525-V528 PolarHBondContact O-N 3.3Å; V528-F531 PolarHBondContact O-N 3.22Å; V528-F532 PolarHBondContact O-N 3.28Å |
| 529 | L | 94.1 | Very high | 91.5 | Very high | 112 Ų | 112 | 93.6 Ų | 93.6 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.9 | -46.2 | 177 | -170.1 | 85.1 | 0 | 0 | 0 | 111.5 | L525 F531 F532 I533 | L525-L529 WeakPolarHBondContact O-CB 3.35Å; L525-L529 PolarHBondContact O-N 2.9Å; L529-F531 VanDerWaalsContact C-N 3.34Å; L529-F531 PolarHBondContact O-N 3.47Å; L529-F532 WeakPolarHBondContact O-CB 3.34Å; L529-F532 PolarHBondContact O-N 3.16Å; L529-F532 VanDerWaalsContact O-N 3.16Å; L529-I533 HydrophobicContact CD2-CD1 4.28Å; L529-I533 HydrophobicContact CG-CD1 4.13Å; L529-I533 WeakPolarHBondContact O-CG1 3.2Å; L529-I533 PolarHBondContact O-N 3.41Å |
| 530 | L | 94.3 | Very high | 90.7 | Very high | 100 Ų | 100 | 100.2 Ų | 100.2 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 178.6 | -176.8 | 141.7 | 0 | 0 | 0 | 111.4 | S526 T527 F532 I533 I534 | S526-L530 VanDerWaalsContact O-CB 3.29Å; S526-L530 WeakPolarHBondContact O-CB 3.27Å; S526-L530 PolarHBondContact O-N 2.82Å; T527-L530 PolarHBondContact O-N 3.09Å; L530-F532 VanDerWaalsContact C-N 3.33Å; L530-F532 PolarHBondContact O-N 2.74Å; L530-I533 PolarHBondContact O-N 3.28Å; L530-I534 HydrophobicContact CD2-CD1 3.55Å; L530-I534 HydrophobicContact CD2-CG1 4.45Å; L530-I534 HydrophobicContact CG-CD1 4.28Å; L530-I534 WeakPolarHBondContact O-CG1 3.35Å; L530-I534 PolarHBondContact O-N 3.26Å |
| 531 | F | 93.9 | Very high | 89.5 | Confident | 152 Ų | 152 | 106.7 Ų | 106.7 | 67% | 0.667 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63 | -38.3 | 173.7 | -141.5 | -85.2 | 0 | 0 | 0 | 112 | T527 V528 L529 I534 Y535 | T527-F531 WeakPolarHBondContact O-CB 3.24Å; T527-F531 PolarHBondContact O-N 3.3Å; V528-F531 PolarHBondContact O-N 3.22Å; L529-F531 VanDerWaalsContact C-N 3.34Å; L529-F531 PolarHBondContact O-N 3.47Å; F531-I534 PolarHBondContact O-N 3.34Å; F531-Y535 VanDerWaalsContact O-CB 3.24Å; F531-Y535 WeakPolarHBondContact O-CB 3.3Å; F531-Y535 PolarHBondContact O-N 3.05Å |
| 532 | F | 93.3 | Very high | 87.9 | Confident | 125 Ų | 125 | 110.9 Ų | 110.9 | 55% | 0.548 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 177 | -155.8 | -107.5 | 0 | 0 | 0 | 112.6 | V528 L529 L530 Y535 Q536 | V528-F532 PolarHBondContact O-N 3.28Å; L529-F532 WeakPolarHBondContact O-CB 3.34Å; L529-F532 PolarHBondContact O-N 3.16Å; L529-F532 VanDerWaalsContact O-N 3.16Å; L530-F532 VanDerWaalsContact C-N 3.33Å; L530-F532 PolarHBondContact O-N 2.74Å; F532-Y535 PolarHBondContact O-N 3.33Å; F532-Q536 WeakPolarHBondContact O-CG 3.45Å; F532-Q536 PolarHBondContact O-N 3.34Å |
| 533 | I | 92.4 | Very high | 85.9 | Confident | 95 Ų | 95 | 112.4 Ų | 112.4 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.7 | -43.7 | 174.7 | -66.7 | 165.8 | 0 | 0 | 0 | 110.9 | L529 L530 Y535 Q536 T537 | L529-I533 HydrophobicContact CD2-CD1 4.28Å; L529-I533 HydrophobicContact CG-CD1 4.13Å; L529-I533 WeakPolarHBondContact O-CG1 3.2Å; L529-I533 PolarHBondContact O-N 3.41Å; L530-I533 PolarHBondContact O-N 3.28Å; I533-Y535 VanDerWaalsContact C-N 3.35Å; I533-Q536 PolarHBondContact O-N 2.92Å; I533-T537 WeakPolarHBondContact O-CB 3.49Å; I533-T537 WeakPolarHBondContact O-CG2 3.22Å; I533-T537 PolarHBondContact O-N 2.75Å; I533-T537 PolarHBondContact O-OG1 2.77Å |
| 534 | I | 91.2 | Very high | 83.9 | Confident | 79 Ų | 79 | 114 Ų | 114 | 41% | 0.405 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.7 | -44.8 | 174.1 | -70.4 | 175.3 | 0 | 0 | 0 | 110.2 | L530 F531 Q536 T537 L538 | L530-I534 HydrophobicContact CD2-CD1 3.55Å; L530-I534 HydrophobicContact CD2-CG1 4.45Å; L530-I534 HydrophobicContact CG-CD1 4.28Å; L530-I534 WeakPolarHBondContact O-CG1 3.35Å; L530-I534 PolarHBondContact O-N 3.26Å; F531-I534 PolarHBondContact O-N 3.34Å; I534-Q536 PolarHBondContact O-N 3.13Å; I534-T537 WeakPolarHBondContact CA-OG1 3.49Å; I534-T537 PolarHBondContact O-N 3.47Å; I534-T537 PolarHBondContact O-OG1 3.29Å; I534-T537 VanDerWaalsContact O-OG1 3.04Å; I534-L538 HydrophobicContact CG2-CD1 3.72Å; I534-L538 HydrophobicContact CG2-CG 4.26Å; I534-L538 WeakPolarHBondContact O-CB 3.37Å; I534-L538 WeakPolarHBondContact O-CG 3.29Å; I534-L538 PolarHBondContact O-N 2.84Å |
| 535 | Y | 90.4 | Very high | 81.4 | Confident | 135 Ų | 135 | 113.6 Ų | 113.6 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60 | -47.3 | 175.6 | -178.4 | -100.1 | 0 | 0 | 0 | 112.1 | F531 F532 I533 T537 H539 | F531-Y535 VanDerWaalsContact O-CB 3.24Å; F531-Y535 WeakPolarHBondContact O-CB 3.3Å; F531-Y535 PolarHBondContact O-N 3.05Å; F532-Y535 PolarHBondContact O-N 3.33Å; I533-Y535 VanDerWaalsContact C-N 3.35Å; Y535-T537 PolarHBondContact O-N 3.16Å; Y535-H539 AromaticContact CZ-CD2 3.78Å; Y535-H539 WeakPolarHBondContact O-CB 3.45Å; Y535-H539 PolarHBondContact O-N 2.67Å; Y535-H539 PolarHBondContact OH-CD2 2.64Å |
| 536 | Q | 86.3 | Confident | 78.9 | Confident | 81 Ų | 81 | 114.6 Ų | 114.6 | 38% | 0.379 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.8 | -39.4 | 176.6 | -76.7 | -167.2 | 28.3 | 0 | 0 | 113.1 | F532 I533 I534 R540 | F532-Q536 WeakPolarHBondContact O-CG 3.45Å; F532-Q536 PolarHBondContact O-N 3.34Å; I533-Q536 PolarHBondContact O-N 2.92Å; I534-Q536 PolarHBondContact O-N 3.13Å; Q536-R540 VanDerWaalsContact O-CB 3.3Å; Q536-R540 WeakPolarHBondContact O-CB 3.3Å; Q536-R540 VanDerWaalsContact O-CG 3.27Å; Q536-R540 WeakPolarHBondContact O-CG 3.44Å; Q536-R540 PolarHBondContact O-N 2.84Å |
| 537 | T | 84.5 | Confident | 76.4 | Confident | 72 Ų | 72 | 120 Ų | 120 | 44% | 0.442 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.5 | -39 | -179.7 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | I533 I534 Y535 R541 | I533-T537 WeakPolarHBondContact O-CB 3.49Å; I533-T537 WeakPolarHBondContact O-CG2 3.22Å; I533-T537 PolarHBondContact O-N 2.75Å; I533-T537 PolarHBondContact O-OG1 2.77Å; I534-T537 WeakPolarHBondContact CA-OG1 3.49Å; I534-T537 PolarHBondContact O-N 3.47Å; I534-T537 PolarHBondContact O-OG1 3.29Å; I534-T537 VanDerWaalsContact O-OG1 3.04Å; Y535-T537 PolarHBondContact O-N 3.16Å; T537-R541 WeakPolarHBondContact O-CB 3.44Å; T537-R541 WeakPolarHBondContact O-CG 3.47Å; T537-R541 PolarHBondContact O-N 3.31Å; T537-R541 VanDerWaalsContact O-N 3.08Å |
| 538 | L | 82.5 | Confident | 73.8 | Confident | 98 Ų | 98 | 126.3 Ų | 126.3 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.7 | -46.3 | 169.8 | -70.8 | 173.9 | 0 | 0 | 0 | 111.2 | I534 R540 R541 L542 | I534-L538 HydrophobicContact CG2-CD1 3.72Å; I534-L538 HydrophobicContact CG2-CG 4.26Å; I534-L538 WeakPolarHBondContact O-CB 3.37Å; I534-L538 WeakPolarHBondContact O-CG 3.29Å; I534-L538 PolarHBondContact O-N 2.84Å; L538-R540 VanDerWaalsContact C-N 3.32Å; L538-R540 PolarHBondContact O-N 2.78Å; L538-R541 CarbonylContact O-C 3.48Å; L538-R541 PolarHBondContact O-N 2.79Å; L538-L542 WeakPolarHBondContact O-CB 3.31Å; L538-L542 WeakPolarHBondContact O-CD1 3.42Å; L538-L542 PolarHBondContact O-N 3.29Å |
| 539 | H | 77.5 | Confident | 71.2 | Confident | 105 Ų | 105 | 132 Ų | 132 | 49% | 0.486 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.6 | -28.8 | -179 | -157.6 | -53.4 | 0 | 0 | 0 | 112.9 | Y535 S543 | Y535-H539 AromaticContact CZ-CD2 3.78Å; Y535-H539 WeakPolarHBondContact O-CB 3.45Å; Y535-H539 PolarHBondContact O-N 2.67Å; Y535-H539 PolarHBondContact OH-CD2 2.64Å; H539-S543 WeakPolarHBondContact O-CB 3.39Å; H539-S543 PolarHBondContact O-N 3.4Å; H539-S543 PolarHBondContact O-OG 3.35Å |
| 540 | R | 74.3 | Confident | 68.5 | Low | 195 Ų | 195 | 134 Ų | 134 | 74% | 0.736 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.5 | -24.4 | 168.5 | -75 | -178.5 | -172.1 | -172.6 | 6.1 | 113.4 | Q536 L538 | Q536-R540 VanDerWaalsContact O-CB 3.3Å; Q536-R540 WeakPolarHBondContact O-CB 3.3Å; Q536-R540 VanDerWaalsContact O-CG 3.27Å; Q536-R540 WeakPolarHBondContact O-CG 3.44Å; Q536-R540 PolarHBondContact O-N 2.84Å; L538-R540 VanDerWaalsContact C-N 3.32Å; L538-R540 PolarHBondContact O-N 2.78Å |
| 541 | R | 66.7 | Low | 65.8 | Low | 219 Ų | 219 | 138.5 Ų | 138.5 | 83% | 0.826 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -92.4 | -17.8 | 176.3 | -73.4 | -171.8 | -178.7 | -149.1 | 3.3 | 114.2 | T537 L538 | T537-R541 WeakPolarHBondContact O-CB 3.44Å; T537-R541 WeakPolarHBondContact O-CG 3.47Å; T537-R541 PolarHBondContact O-N 3.31Å; T537-R541 VanDerWaalsContact O-N 3.08Å; L538-R541 CarbonylContact O-C 3.48Å; L538-R541 PolarHBondContact O-N 2.79Å |
| 542 | L | 61.6 | Low | 62.8 | Low | 136 Ų | 136 | 141.7 Ų | 141.7 | 71% | 0.712 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -111.8 | -0.4 | -179.5 | -84.9 | 77.1 | 0 | 0 | 0 | 114.5 | L538 | L538-L542 WeakPolarHBondContact O-CB 3.31Å; L538-L542 WeakPolarHBondContact O-CD1 3.42Å; L538-L542 PolarHBondContact O-N 3.29Å |
| 543 | S | 53.2 | Low | 60.2 | Low | 69 Ų | 69 | 141 Ų | 141 | 48% | 0.483 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -77.7 | 138.6 | 165.9 | 70.6 | 0 | 0 | 0 | 0 | 110.8 | H539 | H539-S543 WeakPolarHBondContact O-CB 3.39Å; H539-S543 PolarHBondContact O-N 3.4Å; H539-S543 PolarHBondContact O-OG 3.35Å |
| 544 | P | 52.2 | Low | 57.6 | Low | 120 Ų | 120 | 145.2 Ų | 145.2 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | -94.5 | 131.5 | -128.8 | -12.9 | 30.6 | 0 | 0 | 0 | 115.5 | D546 | P544-D546 VanDerWaalsContact C-N 3.31Å; P544-D546 PolarHBondContact O-N 2.78Å | |||
| 545 | C | 42.9 | Very low | 55.1 | Low | 133 Ų | 133 | 149.5 Ų | 149.5 | 90% | 0.899 | 70% | 0.702 | S | S | * | * | trans | -72.2 | 82.1 | 156.7 | -73.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 546 | D | 42.3 | Very low | 52.7 | Low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | trans | -164.3 | 96.7 | 143.3 | -130 | -26.7 | 0 | 0 | 0 | 114.6 | P544 | P544-D546 VanDerWaalsContact C-N 3.31Å; P544-D546 PolarHBondContact O-N 2.78Å | ||
| 547 | K | 41 | Very low | 50.6 | Low | 188 Ų | 188 | 150.1 Ų | 150.1 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | trans | -147.1 | 97.3 | 150.7 | -78 | -162.7 | -179.3 | 170.5 | 0 | 111.9 | ||||
| 548 | R | 40 | Very low | 48.4 | Very low | 216 Ų | 216 | 154 Ų | 154 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | trans | 70.6 | 118 | 147.4 | -55.7 | 170.3 | -178.7 | 171.8 | -3.2 | 116 | ||||
| 549 | K | 39.7 | Very low | 46.3 | Very low | 198 Ų | 198 | 152.3 Ų | 152.3 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | 65.1 | 99.8 | 67.8 | -71.8 | -168.6 | 175.7 | -178.8 | 0 | 115.8 | |||||
| 550 | L | 39.1 | Very low | 44.5 | Very low | 152 Ų | 152 | 155.4 Ų | 155.4 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 68.5 | 131.2 | 131.4 | -99.7 | 68.8 | 0 | 0 | 0 | 123.6 | ||||
| 551 | Y | 36.4 | Very low | 42.8 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 82.3 | 102.3 | 148.4 | -96.5 | -91.4 | 0 | 0 | 0 | 123.4 | ||||
| 552 | R | 31.9 | Very low | 41.4 | Very low | 220 Ų | 220 | 150.8 Ų | 150.8 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | 41.1 | 157.2 | 134.9 | -85.3 | -172.8 | 179.8 | 172.5 | 2.1 | 123.8 | ||||
| 553 | P | 38.6 | Very low | 40.6 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | trans | -94.9 | 171.9 | -165 | 39.1 | -38.4 | 0 | 0 | 0 | 116.4 | ||||
| 554 | H | 36.9 | Very low | 40 | Very low | 183 Ų | 183 | 153 Ų | 153 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | 67 | 140.8 | -175.3 | -76.3 | -79.6 | 0 | 0 | 0 | 114.2 | ||||
| 555 | K | 39.6 | Very low | 39.4 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | cis | -158.2 | 138.7 | 17.3 | -159.3 | -171.6 | 173.2 | -176.6 | 0 | 110.4 | ||||
| 556 | T | 39.6 | Very low | 39.2 | Very low | 103 Ų | 103 | 152.2 Ų | 152.2 | 63% | 0.632 | 78% | 0.777 | S | S | * | * | trans | 46 | 144.9 | 150 | 56.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 557 | D | 41.1 | Very low | 39 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | cis | -171.4 | 156.4 | -5.7 | -107 | -5.1 | 0 | 0 | 0 | 110 | ||||
| 558 | N | 39.1 | Very low | 39.1 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 58.6 | 141.4 | 154.4 | -52.7 | -26.9 | 0 | 0 | 0 | 120 | ||||
| 559 | G | 38.5 | Very low | 39 | Very low | 63 Ų | 63 | 141.7 Ų | 141.7 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | 161.4 | 171.2 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 560 | I | 39.1 | Very low | 38.7 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | 75.3 | 125.3 | 169 | -47.4 | 172.8 | 0 | 0 | 0 | 114.5 | ||||
| 561 | L | 38.3 | Very low | 38.3 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | cis | 120.8 | 149.5 | 8.9 | -168.9 | 77.7 | 0 | 0 | 0 | 110.6 | ||||
| 562 | E | 38.1 | Very low | 38.1 | Very low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | 87.8 | 145 | 168.8 | -54.5 | -162.5 | 163.4 | 0 | 0 | 117.8 | ||||
| 563 | V | 45.7 | Very low | 38.4 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | -160.9 | 163.3 | -12.2 | 122.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 564 | P | 40.5 | Very low | 38.6 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -111.4 | 177.9 | -153.9 | 41.6 | -35.9 | 0 | 0 | 0 | 117.6 | ||||
| 565 | G | 38.6 | Very low | 38.6 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -166.5 | 96.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 566 | I | 40.1 | Very low | 38.7 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | 47.5 | 107.1 | 138 | -51.3 | 174.6 | 0 | 0 | 0 | 121.4 | ||||
| 567 | S | 37.2 | Very low | 38.6 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 42.4 | 156.4 | 129.7 | -72.8 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 568 | P | 42.6 | Very low | 38.3 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -116.2 | 164.4 | -147.8 | 42 | -32.6 | 0 | 0 | 0 | 116.4 | ||||
| 569 | G | 38.2 | Very low | 38.2 | Very low | 80 Ų | 80 | 120 Ų | 120 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 170.4 | 129.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 570 | G | 33.6 | Very low | 38.2 | Very low | 69 Ų | 69 | 123.5 Ų | 123.5 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 99 | 108.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 571 | I | 31.5 | Very low | 38 | Very low | 166 Ų | 166 | 121 Ų | 121 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | 32 | 118.7 | 134 | 48.5 | 165.6 | 0 | 0 | 0 | 120.4 | ||||
| 572 | S | 32.7 | Very low | 37.6 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 151.6 | 155.4 | 104.4 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 573 | S | 37.8 | Very low | 37.5 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | 65.2 | 151.6 | 168.8 | 73.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 574 | S | 41.3 | Very low | 36.9 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | cis | -162.6 | 146.3 | 4.7 | 14.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 575 | N | 38.3 | Very low | 36.5 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | 57.8 | 153.3 | 139.2 | -47.4 | -20.3 | 0 | 0 | 0 | 118.3 | ||||
| 576 | T | 40.4 | Very low | 36.3 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | cis | -157 | 139.2 | 33 | 37.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 577 | L | 38 | Very low | 35.8 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | 55.7 | 144.3 | 143 | -73.5 | 73.9 | 0 | 0 | 0 | 119.2 | ||||
| 578 | C | 35.8 | Very low | 35.6 | Very low | 109 Ų | 109 | 126 Ų | 126 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | cis | -168.9 | 168.5 | -5.1 | -105.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 579 | S | 36.1 | Very low | 35 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | cis | -171 | 141.3 | -13.3 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 580 | V | 37.6 | Very low | 35 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | 47.2 | 131.3 | 129 | -172 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 581 | S | 36.1 | Very low | 35 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | cis | -155.1 | 161 | 32.1 | 15.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 582 | R | 29.3 | Very low | 35.4 | Very low | 221 Ų | 221 | 128.9 Ų | 128.9 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | -148.4 | 147.3 | 171.7 | -174.4 | -169.5 | -168.4 | -175.6 | 6.2 | 108.8 | ||||
| 583 | P | 36.5 | Very low | 35.5 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -105.5 | 157.8 | 162.5 | 34.8 | -27.1 | 0 | 0 | 0 | 112.7 | ||||
| 584 | T | 33.2 | Very low | 35.5 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -124.1 | 156.4 | -166.4 | -48.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 585 | I | 31.5 | Very low | 35.4 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -66.1 | 143.3 | 175.1 | -62.8 | 160.7 | 0 | 0 | 0 | 111.2 | ||||
| 586 | I | 33.9 | Very low | 35.3 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -132.1 | 138.8 | 155.5 | -62.2 | -178.8 | 0 | 0 | 0 | 108.6 | ||||
| 587 | T | 30.4 | Very low | 35.2 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | -116.5 | 128.4 | 177.5 | -34.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 588 | T | 32.9 | Very low | 35.1 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | -150.6 | 133.7 | 162.4 | 40.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 589 | T | 30.9 | Very low | 35.1 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -90.2 | 146.7 | 175 | 40.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 590 | T | 36.9 | Very low | 35.1 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | 171.2 | 120.8 | 129 | 30.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 591 | T | 34.9 | Very low | 35 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 16.1 | 158.3 | 142.3 | 41.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 592 | P | 38.2 | Very low | 34.7 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -116.9 | 172 | -148.7 | 43.2 | -34 | 0 | 0 | 0 | 116.4 | ||||
| 593 | N | 35.9 | Very low | 34.9 | Very low | 142 Ų | 142 | 129 Ų | 129 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -166.9 | 138.7 | 139.3 | -119.9 | -18.9 | 0 | 0 | 0 | 116.5 | ||||
| 594 | N | 38.5 | Very low | 34.6 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | trans | 36.2 | 118.7 | 141.2 | -66.4 | -9.3 | 0 | 0 | 0 | 122.5 | ||||
| 595 | N | 37.5 | Very low | 34.6 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | 175.6 | 133.5 | 86.7 | -99.7 | -30 | 0 | 0 | 0 | 115.5 | |||||
| 596 | N | 37.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | trans | 53.3 | 108.8 | 135.5 | -61.1 | -9.3 | 0 | 0 | 0 | 122.6 | ||||
| 597 | N | 36.5 | Very low | 34.5 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | 135.1 | 146.8 | 99.1 | -89.3 | -4.9 | 0 | 0 | 0 | 118.7 | |||||
| 598 | S | 37.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | 71.4 | 91.4 | 154.5 | 46.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 599 | N | 35.4 | Very low | 34.5 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | 69.4 | 142.6 | 112.9 | -67.2 | -0.3 | 0 | 0 | 0 | 124.3 | |||||
| 600 | S | 35.6 | Very low | 34.6 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 74.8 | 92.1 | 143.8 | 48.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 601 | S | 35 | Very low | 34.4 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | 57.1 | 128.9 | 116.2 | 65.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 602 | N | 31.2 | Very low | 34.3 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | 59.3 | 105.1 | 143.6 | -61 | -1.1 | 0 | 0 | 0 | 119 | ||||
| 603 | S | 33 | Very low | 34 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | -171.1 | 145.2 | 106.4 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 604 | S | 30 | Very low | 34 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | trans | -42.9 | 153.3 | 160 | 50.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 605 | V | 33.8 | Very low | 33.5 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | -173.8 | 135.9 | 119.6 | 143.5 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 606 | E | 28.6 | Very low | 33.3 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -72.2 | 153.8 | 173.2 | -59.2 | 165.2 | 111.7 | 0 | 0 | 111.5 | ||||
| 607 | T | 34 | Very low | 32.7 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | -159.6 | 108.3 | 142.9 | 0.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 608 | N | 29.4 | Very low | 32.6 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | 33.5 | 136.9 | 119.9 | -58.2 | -44.1 | 0 | 0 | 0 | 118.3 | |||||
| 609 | L | 34.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | 170.3 | 124.9 | 98.2 | -86.1 | 172.7 | 0 | 0 | 0 | 111.8 | |||||
| 610 | L | 32.5 | Very low | 31.8 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | trans | 69.3 | 149 | 138 | -55.1 | 174.1 | 0 | 0 | 0 | 118.1 | ||||
| 611 | Q | 32.5 | Very low | 31.6 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | cis | -163.4 | 158.6 | 2.5 | -127.6 | 165.6 | -32.8 | 0 | 0 | 113.5 | ||||
| 612 | N | 34 | Very low | 31.3 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 70.4 | 143.4 | 144.5 | -68.8 | -19.6 | 0 | 0 | 0 | 119.8 | ||||
| 613 | S | 31.2 | Very low | 31.3 | Very low | 84 Ų | 84 | 132 Ų | 132 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | cis | -178.4 | 154.7 | -8.6 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 614 | I | 34.9 | Very low | 31.2 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | 71 | 114 | 156 | -60 | 147 | 0 | 0 | 0 | 115.7 | ||||
| 615 | T | 29.1 | Very low | 31.3 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | cis | 74.3 | 103.7 | 39.4 | 75.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 616 | N | 32.6 | Very low | 31.1 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | 163 | 113.1 | 123.3 | -81.5 | -15 | 0 | 0 | 0 | 114.8 | |||||
| 617 | C | 25.3 | Very low | 31.3 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | 45.5 | 170.9 | 127.9 | -55.4 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 618 | P | 34.4 | Very low | 31.3 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | -132.8 | -162.6 | -87.9 | 35.8 | -13.9 | 0 | 0 | 0 | 113.9 | |||||
| 619 | T | 28.1 | Very low | 31.3 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | trans | 104.3 | 131.8 | 159.2 | 69.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 620 | S | 28.4 | Very low | 31.3 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 48.5 | 107.3 | 151.7 | 60 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 621 | Q | 31.4 | Very low | 31.3 | Very low | 193 Ų | 193 | 128.9 Ų | 128.9 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | -160.2 | 127 | 95.8 | -104.3 | 173.7 | -7.1 | 0 | 0 | 111 | N623 | Q621-N623 PolarHBondContact O-N 3.24Š| |||
| 622 | I | 29.1 | Very low | 31.3 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 86% | 0.862 | 75% | 0.75 | S | S | * | * | trans | -77.6 | 112.2 | 174 | -65.1 | 166 | 0 | 0 | 0 | 106.7 | ||||
| 623 | N | 30.7 | Very low | 31.3 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -96.4 | 117.8 | 172.5 | -156.1 | 11.6 | 0 | 0 | 0 | 109.4 | Q621 E625 | Q621-N623 PolarHBondContact O-N 3.24Å; N623-E625 PolarHBondContact O-N 2.77Å | ||
| 624 | S | 30.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 53.6 | -158.7 | 58.3 | 0 | 0 | 0 | 0 | 114 | ||
| 625 | E | 32.2 | Very low | 31.4 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.7 | 5.7 | 174.1 | -70 | -160.6 | 152.4 | 0 | 0 | 115.2 | N623 I627 | N623-E625 PolarHBondContact O-N 2.77Å; E625-I627 PolarHBondContact O-N 3.38Å |
| 626 | S | 29.4 | Very low | 31.7 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -83 | 84.8 | 158.3 | 61.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 627 | I | 32.6 | Very low | 31.7 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 176 | 66.9 | 159.5 | -86.4 | 144.7 | 0 | 0 | 0 | 108.4 | E625 | E625-I627 PolarHBondContact O-N 3.38Š|
| 628 | S | 33.4 | Very low | 32 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -146 | -2.3 | 177 | 58 | 0 | 0 | 0 | 0 | 115.6 | ||
| 629 | L | 31.1 | Very low | 31.8 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -113.6 | 17.8 | -174.7 | -120.4 | 158.2 | 0 | 0 | 0 | 113.8 | ||
| 630 | A | 33.8 | Very low | 32 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -112.6 | -0.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 631 | T | 32.4 | Very low | 32.1 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -108.9 | -5.3 | -168.6 | 25.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 632 | N | 33.3 | Very low | 31.8 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -98.4 | -4.8 | 177.2 | -76.4 | -14.3 | 0 | 0 | 0 | 114.6 | ||
| 633 | L | 33.7 | Very low | 31.9 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -91.4 | 1.6 | -179.3 | -97.5 | 163.5 | 0 | 0 | 0 | 115 | ||
| 634 | I | 36.9 | Very low | 31.7 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 62% | 0.621 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -100.4 | -19.6 | -174.8 | -66.5 | 174.4 | 0 | 0 | 0 | 112.8 | ||
| 635 | N | 31.6 | Very low | 31.5 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -90.5 | -8 | -179.5 | -72.1 | -19.4 | 0 | 0 | 0 | 114.7 | ||
| 636 | A | 33.6 | Very low | 31.4 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 58% | 0.579 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -82.7 | -15.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q638 | A636-Q638 PolarHBondContact O-N 2.74Š|
| 637 | Q | 33.4 | Very low | 31.6 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -89.9 | 12.1 | -177.4 | -73.8 | -173.2 | -39.8 | 0 | 0 | 114.7 | ||
| 638 | Q | 31.9 | Very low | 31.3 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -115.6 | 4.5 | -179.4 | -69.9 | -169 | -22.8 | 0 | 0 | 115.3 | A636 | A636-Q638 PolarHBondContact O-N 2.74Š|
| 639 | F | 30.3 | Very low | 31.2 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -116.4 | 1.3 | -177.3 | -104.6 | -85.6 | 0 | 0 | 0 | 116.4 | ||
| 640 | L | 33 | Very low | 31.2 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -97.4 | 15.8 | 177.9 | -80.9 | 166.1 | 0 | 0 | 0 | 114.7 | ||
| 641 | N | 28.7 | Very low | 31 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -106.3 | 72.5 | 169.1 | -83.7 | -22.6 | 0 | 0 | 0 | 110.5 | ||
| 642 | G | 26.7 | Very low | 30.8 | Very low | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | 163.3 | 71.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 643 | L | 29.7 | Very low | 30.6 | Very low | 184 Ų | 184 | 139 Ų | 139 | 96% | 0.963 | 79% | 0.789 | S | S | * | * | trans | -169.4 | 59.8 | 155.1 | -105 | 158.9 | 0 | 0 | 0 | 111 | ||||
| 644 | S | 27.5 | Very low | 30.2 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | trans | -108.1 | 106.3 | 167.4 | 59.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 645 | G | 26.7 | Very low | 29.7 | Very low | 60 Ų | 60 | 141.8 Ų | 141.8 | 62% | 0.619 | 80% | 0.804 | S | S | * | * | trans | -154.7 | 130.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 646 | F | 30.4 | Very low | 29.6 | Very low | 216 Ų | 216 | 145 Ų | 145 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | trans | 69.2 | 128.8 | -176.1 | -56.3 | -84.5 | 0 | 0 | 0 | 115 | ||||
| 647 | S | 31.9 | Very low | 29.2 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | cis | -148.6 | 162.3 | -0.1 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 648 | Q | 27.1 | Very low | 29 | Very low | 197 Ų | 197 | 151.6 Ų | 151.6 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | -86 | 152.4 | -162.1 | -59.3 | 153.2 | -44 | 0 | 0 | 115.7 | ||||
| 649 | A | 31.4 | Very low | 28.6 | Very low | 91 Ų | 91 | 149.7 Ų | 149.7 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | -156 | 113.9 | 137.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 650 | T | 31 | Very low | 28.6 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | trans | 64.2 | 96.1 | 149.3 | 54.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 651 | L | 29.4 | Very low | 28.2 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | 107.6 | 140.4 | 123.8 | -66.7 | 166.2 | 0 | 0 | 0 | 120.8 | |||||
| 652 | P | 27.8 | Very low | 28.4 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 71% | 0.714 | 83% | 0.834 | S | S | * | * | trans | -138.7 | 158 | -153.3 | 40.7 | -20.7 | 0 | 0 | 0 | 118.1 | ||||
| 653 | V | 31 | Very low | 28.4 | Very low | 147 Ų | 147 | 153 Ų | 153 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | trans | -147 | 138.1 | 152 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 654 | N | 25.3 | Very low | 28.5 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 84% | 0.84 | 84% | 0.837 | S | S | * | * | trans | -42.4 | 150.2 | -178.2 | -76.1 | -37.1 | 0 | 0 | 0 | 119.9 | ||||
| 655 | I | 26.5 | Very low | 28.5 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -126.1 | 132.6 | 152.6 | -68.7 | 175.5 | 0 | 0 | 0 | 109 | ||||
| 656 | Q | 28.7 | Very low | 28.6 | Very low | 193 Ų | 193 | 159.1 Ų | 159.1 | 90% | 0.902 | 85% | 0.845 | S | S | * | * | trans | -87.3 | 142.5 | 167.7 | -88.3 | -178.7 | -37.2 | 0 | 0 | 111.1 | ||||
| 657 | Q | 25 | Very low | 28.3 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -83 | 147.9 | 173.6 | -67.7 | 172 | -44.4 | 0 | 0 | 112 | ||||
| 658 | Q | 29.2 | Very low | 28.3 | Very low | 203 Ų | 203 | 157.6 Ų | 157.6 | 95% | 0.949 | 84% | 0.844 | S | S | * | * | trans | -133.9 | 135.2 | 148.8 | -82.7 | -167.9 | -18.1 | 0 | 0 | 110.7 | ||||
| 659 | T | 23.8 | Very low | 28.4 | Very low | 122 Ų | 122 | 159.2 Ų | 159.2 | 75% | 0.748 | 84% | 0.842 | S | S | * | * | trans | -105.3 | 147.2 | -178.5 | 47.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 660 | I | 29.2 | Very low | 28.2 | Very low | 174 Ų | 174 | 160.9 Ų | 160.9 | 89% | 0.892 | 85% | 0.845 | S | S | * | * | trans | -133.1 | 130.1 | 157.4 | -61.9 | -176.9 | 0 | 0 | 0 | 108.7 | ||||
| 661 | Q | 26 | Very low | 28.2 | Very low | 166 Ų | 166 | 159.6 Ų | 159.6 | 78% | 0.776 | 85% | 0.847 | S | S | * | * | trans | -93.6 | 165.2 | 178.4 | -61.9 | 172.3 | -69.3 | 0 | 0 | 111.7 | ||||
| 662 | T | 32.1 | Very low | 28.2 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 91% | 0.908 | 85% | 0.845 | S | S | * | * | trans | -160.2 | 133.7 | 134.8 | 1.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 663 | E | 27.9 | Very low | 28.4 | Very low | 165 Ų | 165 | 157.7 Ų | 157.7 | 77% | 0.771 | 85% | 0.847 | S | S | * | * | trans | -97.2 | 159.7 | 171.9 | -61.2 | -171.9 | 149.9 | 0 | 0 | 111.3 | ||||
| 664 | L | 31.4 | Very low | 28.2 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | 176 | 138.8 | 116.1 | -103.1 | 138.7 | 0 | 0 | 0 | 110.8 | |||||
| 665 | G | 25.9 | Very low | 28.4 | Very low | 68 Ų | 68 | 153.8 Ų | 153.8 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | trans | -128.8 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 666 | R | 30 | Very low | 28.5 | Very low | 254 Ų | 254 | 153.9 Ų | 153.9 | 96% | 0.958 | 83% | 0.834 | S | S | * | * | trans | -165.1 | 143.7 | 159.4 | -113.8 | 172.6 | -173.2 | -173.1 | 1.9 | 112.5 | ||||
| 667 | C | 24.3 | Very low | 28.5 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | -103.3 | 155.8 | -176.4 | -49.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 668 | I | 31.9 | Very low | 28.6 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 91% | 0.908 | 83% | 0.832 | S | S | * | * | trans | -134.4 | 140.8 | 157.3 | -60.6 | -176.3 | 0 | 0 | 0 | 108.8 | ||||
| 669 | R | 28.1 | Very low | 28.7 | Very low | 231 Ų | 231 | 141.9 Ų | 141.9 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | -89.3 | 162.2 | -171.3 | -103.7 | -178 | 170.4 | 168.1 | -3 | 113.6 | ||||
| 670 | P | 28.4 | Very low | 28.8 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -92.4 | 170.4 | 178.7 | 38.5 | -35.5 | 0 | 0 | 0 | 113.9 | ||||
| 671 | A | 29.7 | Very low | 28.9 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -136 | 141.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 672 | P | 29.3 | Very low | 29 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -114.8 | 139.6 | -176.8 | 38.7 | -29.4 | 0 | 0 | 0 | 115.5 | ||||
| 673 | S | 32 | Very low | 28.8 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | -171.9 | 103.1 | 159.9 | 56 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 674 | S | 27.1 | Very low | 28.7 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | 91.2 | 146.7 | 79.6 | 70.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 675 | T | 29.8 | Very low | 28.6 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | 75.5 | 92.8 | 165.3 | 54.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 676 | I | 28.7 | Very low | 28.7 | Very low | 167 Ų | 167 | 141 Ų | 141 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | 52.6 | 118.8 | 115.9 | -57.8 | 161.9 | 0 | 0 | 0 | 118.6 | |||||
| 677 | G | 29.6 | Very low | 28.6 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -177.8 | 110.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 678 | D | 26.9 | Very low | 28.9 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -70.2 | 147.7 | -173.8 | -67.1 | -62.8 | 0 | 0 | 0 | 114.3 | ||||
| 679 | G | 30 | Very low | 28.8 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -179.4 | 77.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L681 | G679-L681 PolarHBondContact O-N 3.48Š| ||
| 680 | S | 27.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -73.3 | 123.2 | -174.1 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 681 | L | 30.8 | Very low | 28.9 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -148.8 | 85.4 | 160.7 | -106.4 | 159.6 | 0 | 0 | 0 | 109.4 | G679 S683 | G679-L681 PolarHBondContact O-N 3.48Å; L681-S683 PolarHBondContact O-N 2.81Å | ||
| 682 | N | 27.4 | Very low | 29 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -73.4 | 89.5 | 179.4 | -73.1 | -3.9 | 0 | 0 | 0 | 110.9 | M684 | N682-M684 PolarHBondContact O-N 2.83Š| ||
| 683 | S | 27.8 | Very low | 29.1 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -78.8 | 97 | 161.9 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | L681 S685 | L681-S683 PolarHBondContact O-N 2.81Å; S683-S685 PolarHBondContact O-N 3.33Å | ||
| 684 | M | 26.9 | Very low | 29.2 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -71.4 | 88.7 | 173.4 | -111.4 | 169 | 61.7 | 0 | 0 | 110.2 | N682 Y686 | N682-M684 PolarHBondContact O-N 2.83Å; M684-Y686 HydrophobicContact CE-CE2 3.66Å; M684-Y686 VanDerWaalsContact CE-OH 3.31Å; M684-Y686 WeakPolarHBondContact CE-OH 3.21Å; M684-Y686 PolarHBondContact O-N 3.25Å | ||
| 685 | S | 28.6 | Very low | 29.3 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -72.8 | 110.7 | 167 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | S683 | S683-S685 PolarHBondContact O-N 3.33Š| ||
| 686 | Y | 28.1 | Very low | 29.3 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | -75.4 | 123.5 | 172.3 | -81.9 | -96.5 | 0 | 0 | 0 | 110.4 | M684 | M684-Y686 HydrophobicContact CE-CE2 3.66Å; M684-Y686 VanDerWaalsContact CE-OH 3.31Å; M684-Y686 WeakPolarHBondContact CE-OH 3.21Å; M684-Y686 PolarHBondContact O-N 3.25Å | ||
| 687 | E | 27.2 | Very low | 29.2 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -80.9 | 126.8 | 172.8 | -169.4 | 169.7 | -146.3 | 0 | 0 | 109.5 | I689 | E687-I689 PolarHBondContact O-N 3.44Š| ||
| 688 | P | 31.2 | Very low | 29.1 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | trans | -75.5 | 113.1 | 180 | 29.1 | -32.3 | 0 | 0 | 0 | 110.2 | S690 | P688-S690 PolarHBondContact O-N 2.86Š| ||
| 689 | I | 30.5 | Very low | 29.2 | Very low | 138 Ų | 138 | 134 Ų | 134 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -61.8 | 109.7 | 178.2 | -61.4 | 170.2 | 0 | 0 | 0 | 109.6 | E687 Y691 | E687-I689 PolarHBondContact O-N 3.44Å; I689-Y691 HydrophobicContact CG2-CE2 4.44Å; I689-Y691 PolarHBondContact O-N 2.79Å | ||
| 690 | S | 28 | Very low | 29.1 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | -72.9 | 114.1 | 170.1 | 55.4 | 0 | 0 | 0 | 0 | 109.8 | P688 S692 | P688-S690 PolarHBondContact O-N 2.86Å; S690-S692 PolarHBondContact O-N 3.26Å | ||
| 691 | Y | 30.7 | Very low | 29.3 | Very low | 212 Ų | 212 | 136.1 Ų | 136.1 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | trans | -75.6 | 76.2 | 170.2 | -76 | -88.2 | 0 | 0 | 0 | 110.5 | I689 | I689-Y691 HydrophobicContact CG2-CE2 4.44Å; I689-Y691 PolarHBondContact O-N 2.79Å | ||
| 692 | S | 31.8 | Very low | 29.2 | Very low | 78 Ų | 78 | 134 Ų | 134 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | trans | -87.5 | 122.4 | 159.9 | 54.1 | 0 | 0 | 0 | 0 | 109.3 | S690 | S690-S692 PolarHBondContact O-N 3.26Š| ||
| 693 | D | 30.5 | Very low | 29.4 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 52.4 | 118.3 | 153.5 | -50.7 | -36.9 | 0 | 0 | 0 | 119.8 | ||
| 694 | T | 34.5 | Very low | 29.3 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | 68.2 | 36.4 | 147.6 | 63.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 695 | N | 29.4 | Very low | 29.3 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -103.8 | 99.9 | 167.3 | -77.6 | -45.3 | 0 | 0 | 0 | 112.8 | V697 | N695-V697 PolarHBondContact O-N 3.36Š| ||
| 696 | N | 29 | Very low | 29.2 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -67.2 | 125.3 | 168 | -71.7 | -11 | 0 | 0 | 0 | 110.1 | ||||
| 697 | V | 27.8 | Very low | 29.1 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 63% | 0.63 | 73% | 0.727 | S | S | * | * | trans | -96.5 | 121.1 | 177.6 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | N695 Y699 | N695-V697 PolarHBondContact O-N 3.36Å; V697-Y699 HydrophobicContact CG1-CD2 4.3Å; V697-Y699 HydrophobicContact CG1-CE1 4.46Å; V697-Y699 HydrophobicContact CG1-CE2 3.52Å | ||
| 698 | T | 27.3 | Very low | 29.1 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 44% | 0.436 | 72% | 0.723 | S | S | . | * | trans | -131.7 | 125.2 | -178.6 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | Q730 | T698-Q730 VanDerWaalsContact C-NE2 3.32Å; T698-Q730 PolarHBondContact O-OE1 2.89Å | ||
| 699 | Y | 28.3 | Very low | 29.1 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | -108.7 | 117.6 | 175.3 | -59.5 | -76.9 | 0 | 0 | 0 | 115.3 | V697 Q730 | V697-Y699 HydrophobicContact CG1-CD2 4.3Å; V697-Y699 HydrophobicContact CG1-CE1 4.46Å; V697-Y699 HydrophobicContact CG1-CE2 3.52Å; Y699-Q730 VanDerWaalsContact CA-OE1 3.32Å; Y699-Q730 PolarHBondContact O-NE2 3.24Å; Y699-Q730 PolarHBondContact O-OE1 3.36Å | ||
| 700 | D | 28.3 | Very low | 29 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | trans | -99.4 | 142.3 | -166.1 | -136.4 | -24.7 | 0 | 0 | 0 | 112.8 | Q730 | D700-Q730 VanDerWaalsContact CA-OE1 3.31Å; D700-Q730 HydrophobicContact CB-CG 4.16Å; D700-Q730 VanDerWaalsContact CB-OE1 3.31Å; D700-Q730 WeakPolarHBondContact OD1-CB 3.35Å | ||
| 701 | V | 31.9 | Very low | 29.2 | Very low | 121 Ų | 121 | 140 Ų | 140 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | -140.4 | 125.5 | -179.1 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 702 | P | 29 | Very low | 29.2 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | trans | -87.7 | 158.3 | -170.6 | -4.3 | 23.6 | 0 | 0 | 0 | 114.9 | ||||
| 703 | W | 31.2 | Very low | 29.2 | Very low | 231 Ų | 231 | 140.8 Ų | 140.8 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | trans | -137.8 | 140.1 | 172.3 | 64.9 | -40.6 | 0 | 0 | 0 | 112.9 | ||||
| 704 | I | 26.2 | Very low | 29.3 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | trans | -142.3 | 144.7 | 173.9 | -38.8 | 179.8 | 0 | 0 | 0 | 102.7 | ||||
| 705 | V | 26.9 | Very low | 29.1 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -153.9 | 150.1 | 43 | -158.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 706 | N | 25.1 | Very low | 29.3 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | -66 | 128.2 | 162.2 | 176 | 17.2 | 0 | 0 | 0 | 111.6 | ||||
| 707 | T | 26.4 | Very low | 29.3 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | trans | -136.4 | 85.1 | 168.3 | 60.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 708 | N | 27.5 | Very low | 29.3 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -172 | 110.5 | 139.3 | -95.7 | -18.9 | 0 | 0 | 0 | 110.4 | ||||
| 709 | N | 31.3 | Very low | 29.2 | Very low | 144 Ų | 144 | 152.4 Ų | 152.4 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | -173.9 | 102.3 | 123.2 | -95 | 2.8 | 0 | 0 | 0 | 109 | D711 | N709-D711 PolarHBondContact O-N 2.84Š| |||
| 710 | N | 27.4 | Very low | 29.2 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -68.3 | 104.5 | 152.3 | -84 | -20.9 | 0 | 0 | 0 | 106.8 | ||||
| 711 | D | 33.5 | Very low | 29 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -140.9 | 112.6 | 156.2 | -99.2 | -40.3 | 0 | 0 | 0 | 110 | N709 N713 | N709-D711 PolarHBondContact O-N 2.84Å; D711-N713 PolarHBondContact O-N 3.49Å | ||
| 712 | N | 29.6 | Very low | 28.9 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -74.3 | 106.4 | 173 | -67.7 | -55.5 | 0 | 0 | 0 | 108.5 | ||||
| 713 | N | 32.6 | Very low | 28.7 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -165.4 | 98 | 147.6 | -97.8 | -35.2 | 0 | 0 | 0 | 113.5 | D711 | D711-N713 PolarHBondContact O-N 3.49Š| ||
| 714 | I | 31.7 | Very low | 28.5 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | 23.2 | 119.7 | 125.8 | -63.5 | 173.4 | 0 | 0 | 0 | 117.3 | |||||
| 715 | N | 31.5 | Very low | 28.5 | Very low | 141 Ų | 141 | 153.2 Ų | 153.2 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 84.8 | 128.3 | 155.9 | -64.1 | -15.8 | 0 | 0 | 0 | 121.4 | ||||
| 716 | N | 32.3 | Very low | 28.6 | Very low | 134 Ų | 134 | 155.6 Ų | 155.6 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | 85.9 | 98.3 | 146.1 | -66.3 | -7.4 | 0 | 0 | 0 | 121.9 | ||||
| 717 | H | 29.2 | Very low | 28.8 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | 89.1 | 138.7 | 129.3 | -75.2 | -59.4 | 0 | 0 | 0 | 123 | |||||
| 718 | K | 29.2 | Very low | 28.7 | Very low | 189 Ų | 189 | 154.3 Ų | 154.3 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 77.7 | 89.6 | 159.7 | -83.6 | 179.3 | 171.9 | 176.8 | 0 | 118.9 | ||||
| 719 | M | 23.8 | Very low | 28.8 | Very low | 194 Ų | 194 | 155 Ų | 155 | 96% | 0.956 | 79% | 0.793 | S | S | * | * | trans | -51.8 | 139.9 | 143.4 | -71.6 | 175.6 | 154.5 | 0 | 0 | 111.1 | ||||
| 720 | V | 29.7 | Very low | 29 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | trans | -125.3 | 118.5 | 165.1 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | V722 | V720-V722 HydrophobicContact CG1-CG2 4.47Š| ||
| 721 | N | 24.1 | Very low | 29.2 | Very low | 146 Ų | 146 | 148 Ų | 148 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | -70.7 | 133.8 | 171.3 | -101.7 | -25.6 | 0 | 0 | 0 | 110.2 | ||||
| 722 | V | 29 | Very low | 29.2 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | trans | -130 | 89.3 | 161 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | V720 Q724 | V720-V722 HydrophobicContact CG1-CG2 4.47Å; V722-Q724 HydrophobicContact CG1-CG 4.17Å; V722-Q724 PolarHBondContact O-N 3.38Å | ||
| 723 | N | 23.9 | Very low | 29.4 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | -76.7 | 105.1 | 163.3 | -77.4 | -24.9 | 0 | 0 | 0 | 108.4 | ||||
| 724 | Q | 28.8 | Very low | 29.3 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -132 | 141.1 | 164 | -78.8 | -169.9 | -28.6 | 0 | 0 | 111.2 | V722 | V722-Q724 HydrophobicContact CG1-CG 4.17Å; V722-Q724 PolarHBondContact O-N 3.38Å | ||
| 725 | R | 24.8 | Very low | 29.3 | Very low | 259 Ų | 259 | 143.1 Ų | 143.1 | 98% | 0.977 | 74% | 0.744 | S | S | * | * | trans | -68.8 | 130 | -173.8 | -62.7 | 165.9 | 175.6 | 156.4 | -4.3 | 109.8 | ||||
| 726 | I | 29.3 | Very low | 29.3 | Very low | 170 Ų | 170 | 143 Ų | 143 | 87% | 0.872 | 73% | 0.734 | S | S | * | * | trans | -122.4 | 130.6 | 170.4 | -60.4 | 175.6 | 0 | 0 | 0 | 107.3 | ||||
| 727 | S | 28.6 | Very low | 29.1 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | -109.4 | 125.6 | -173.7 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | E729 | S727-E729 PolarHBondContact O-N 2.86Å; S727-E729 VanDerWaalsContact O-N 3.15Å | ||
| 728 | N | 25.8 | Very low | 29.2 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 18.2 | 73.1 | 159.1 | -55.4 | 10 | 0 | 0 | 0 | 117.9 | ||
| 729 | E | 29.8 | Very low | 29.2 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -146.1 | 141.3 | 165.2 | -74.5 | -169 | -177.9 | 0 | 0 | 110.3 | S727 | S727-E729 PolarHBondContact O-N 2.86Å; S727-E729 VanDerWaalsContact O-N 3.15Å | ||
| 730 | Q | 34.2 | Very low | 29.6 | Very low | 61 Ų | 61 | 134.3 Ų | 134.3 | 29% | 0.285 | 72% | 0.724 | S | S | . | * | trans | -149.6 | 133.5 | -166.2 | -17.8 | 157.2 | 134.8 | 0 | 0 | 110 | T698 Y699 D700 | T698-Q730 VanDerWaalsContact C-NE2 3.32Å; T698-Q730 PolarHBondContact O-OE1 2.89Å; Y699-Q730 VanDerWaalsContact CA-OE1 3.32Å; Y699-Q730 PolarHBondContact O-NE2 3.24Å; Y699-Q730 PolarHBondContact O-OE1 3.36Å; D700-Q730 VanDerWaalsContact CA-OE1 3.31Å; D700-Q730 HydrophobicContact CB-CG 4.16Å; D700-Q730 VanDerWaalsContact CB-OE1 3.31Å; D700-Q730 WeakPolarHBondContact OD1-CB 3.35Å | ||
| 731 | C | 32 | Very low | 29.7 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | trans | -126.5 | 149.2 | -164.8 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 732 | V | 33.8 | Very low | 29.9 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | trans | -102.4 | 124.4 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 733 | P | 33.2 | Very low | 30 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | trans | -84.8 | 140.5 | 179.8 | 32.4 | -33.5 | 0 | 0 | 0 | 112.7 | ||||
| 734 | L | 31.3 | Very low | 30.2 | Very low | 96 Ų | 96 | 133 Ų | 133 | 50% | 0.503 | 73% | 0.726 | S | S | . | * | trans | -113.2 | 128.2 | 174 | -62.2 | -179.6 | 0 | 0 | 0 | 110.6 | L759 I761 | L734-L759 HydrophobicContact CB-CD1 4.29Å; L734-L759 HydrophobicContact CD1-CD1 4.39Å; L734-L759 HydrophobicContact CD1-CD2 4.22Å; L734-L759 HydrophobicContact CD2-CD2 3.71Å; L734-L759 HydrophobicContact CG-CD2 4.48Å; L734-I761 HydrophobicContact CD1-CD1 4.43Å | ||
| 735 | L | 31.1 | Very low | 30.4 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 89% | 0.885 | 73% | 0.729 | S | S | * | * | trans | -105.9 | 126.5 | 175.5 | -77.7 | 166.7 | 0 | 0 | 0 | 110.4 | ||||
| 736 | Y | 31.8 | Very low | 30.5 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | trans | -99.1 | 125.1 | 178 | -158 | -87.7 | 0 | 0 | 0 | 110.3 | L328 | L328-Y736 HydrophobicContact CD1-CD2 4.41Å; L328-Y736 HydrophobicContact CD1-CE2 4.33Å | ||
| 737 | N | 28.7 | Very low | 30.7 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 90% | 0.904 | 72% | 0.724 | S | S | * | * | trans | -144.3 | 110.5 | 174.1 | -140.3 | 9.5 | 0 | 0 | 0 | 109.3 | ||||
| 738 | G | 31.1 | Very low | 30.7 | Very low | 52 Ų | 52 | 133.1 Ų | 133.1 | 54% | 0.536 | 73% | 0.731 | S | S | . | * | trans | 179.2 | 77.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 739 | L | 28.4 | Very low | 30.8 | Very low | 168 Ų | 168 | 132 Ų | 132 | 88% | 0.88 | 74% | 0.735 | S | S | * | * | trans | -77.8 | 128.4 | 157.2 | -85.5 | 97.1 | 0 | 0 | 0 | 109 | A741 | L739-A741 PolarHBondContact O-N 2.86Š| ||
| 740 | P | 31.9 | Very low | 30.7 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | trans | -77 | 103.9 | 167.5 | 30.4 | -30.9 | 0 | 0 | 0 | 109.4 | N742 | P740-N742 PolarHBondContact O-N 3.47Š| ||
| 741 | A | 32.4 | Very low | 30.3 | Very low | 88 Ų | 88 | 133.6 Ų | 133.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -74.8 | 111.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L739 I743 | L739-A741 PolarHBondContact O-N 2.86Å; A741-I743 PolarHBondContact O-N 3.48Å; A741-I743 VanDerWaalsContact O-N 3.13Å | ||
| 742 | N | 27.5 | Very low | 30.2 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -59.9 | 112.8 | 172.1 | -87.6 | -23.1 | 0 | 0 | 0 | 110.6 | P740 | P740-N742 PolarHBondContact O-N 3.47Š| ||
| 743 | I | 31.2 | Very low | 30 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -121.7 | 109.6 | 159.7 | -60.9 | 176.1 | 0 | 0 | 0 | 106.6 | A741 | A741-I743 PolarHBondContact O-N 3.48Å; A741-I743 VanDerWaalsContact O-N 3.13Å | ||
| 744 | P | 27.9 | Very low | 29.7 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -77.8 | 125.4 | 175.7 | 31.1 | -31.2 | 0 | 0 | 0 | 109.4 | ||||
| 745 | N | 33.2 | Very low | 29.7 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -156.6 | 131.6 | 154.7 | -97.2 | -34.2 | 0 | 0 | 0 | 110.9 | ||||
| 746 | H | 27.6 | Very low | 29.7 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | -71.3 | 127.4 | -178.4 | -67.4 | -106.3 | 0 | 0 | 0 | 112.2 | ||||
| 747 | I | 32.6 | Very low | 29.7 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -147.2 | 139.3 | 136.9 | -60.1 | -168.1 | 0 | 0 | 0 | 107.6 | ||||
| 748 | E | 29.6 | Very low | 29.8 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -85.3 | 154.7 | -170.6 | -66.2 | 171.7 | 114.5 | 0 | 0 | 115.6 | ||||
| 749 | S | 27.7 | Very low | 30.1 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 70.9 | 96.5 | 147.8 | 67.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 750 | N | 27.3 | Very low | 30.6 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | -161.8 | 104.6 | 122.8 | -160.9 | -9.4 | 0 | 0 | 0 | 111.7 | N752 | N750-N752 VanDerWaalsContact C-N 3.3Å; N750-N752 PolarHBondContact O-N 3.47Å | |||
| 751 | P | 26 | Very low | 31 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 53.5 | -169.8 | 37.1 | -37.5 | 0 | 0 | 0 | 113.5 | ||
| 752 | N | 30.8 | Very low | 31.3 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | -1.5 | 174.6 | -88.9 | -44 | 0 | 0 | 0 | 114.9 | N750 | N750-N752 VanDerWaalsContact C-N 3.3Å; N750-N752 PolarHBondContact O-N 3.47Å |
| 753 | N | 28.3 | Very low | 32 | Very low | 145 Ų | 145 | 128 Ų | 128 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -111 | 63.4 | 175.3 | -79.8 | -9.2 | 0 | 0 | 0 | 111.2 | I755 | N753-I755 PolarHBondContact O-N 3.31Š| ||
| 754 | L | 27.9 | Very low | 32.5 | Very low | 166 Ų | 166 | 126 Ų | 126 | 87% | 0.869 | 69% | 0.694 | S | S | * | * | trans | -75.8 | 98.9 | 162.3 | -91 | 154.6 | 0 | 0 | 0 | 108.2 | H756 | L754-H756 PolarHBondContact O-N 2.88Š| ||
| 755 | I | 30.7 | Very low | 33 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 77% | 0.774 | 70% | 0.698 | S | S | * | * | trans | -61.4 | 106.7 | 170.6 | -61.9 | 172.1 | 0 | 0 | 0 | 107 | N753 T757 | N753-I755 PolarHBondContact O-N 3.31Å; I755-T757 PolarHBondContact O-N 2.97Å | ||
| 756 | H | 31 | Very low | 33.4 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | trans | -59.2 | 113.8 | 173.4 | -95.3 | -93.2 | 0 | 0 | 0 | 109.1 | L754 G758 | L754-H756 PolarHBondContact O-N 2.88Å; H756-G758 PolarHBondContact O-N 3.21Å | ||
| 757 | T | 31.1 | Very low | 33.8 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | trans | -77.1 | 56.5 | 169.1 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | I755 | I755-T757 PolarHBondContact O-N 2.97Š| ||
| 758 | G | 32.3 | Very low | 33.7 | Very low | 41 Ų | 41 | 119.5 Ų | 119.5 | 42% | 0.423 | 68% | 0.68 | S | S | . | * | trans | -108.3 | 140.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | H756 F760 | H756-G758 PolarHBondContact O-N 3.21Å; G758-F760 PolarHBondContact O-N 3.42Å | ||
| 759 | L | 37.1 | Very low | 34 | Very low | 67 Ų | 67 | 117.9 Ų | 117.9 | 35% | 0.351 | 67% | 0.673 | S | S | . | * | trans | -84.7 | 108.5 | -176.1 | -154.5 | 163.7 | 0 | 0 | 0 | 109.5 | L734 | L734-L759 HydrophobicContact CB-CD1 4.29Å; L734-L759 HydrophobicContact CD1-CD1 4.39Å; L734-L759 HydrophobicContact CD1-CD2 4.22Å; L734-L759 HydrophobicContact CD2-CD2 3.71Å; L734-L759 HydrophobicContact CG-CD2 4.48Å | ||
| 760 | F | 37.9 | Very low | 34.1 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | trans | -80.6 | 120.3 | -171.9 | -171.7 | -92.2 | 0 | 0 | 0 | 112.5 | G758 P762 | G758-F760 PolarHBondContact O-N 3.42Å; F760-P762 HydrophobicContact CE1-CB 4.15Å | ||
| 761 | I | 41.5 | Very low | 34.4 | Very low | 66 Ų | 66 | 117.7 Ų | 117.7 | 34% | 0.338 | 68% | 0.679 | S | S | . | * | trans | -98.8 | 114.6 | 170.1 | -54.9 | 178.9 | 0 | 0 | 0 | 108.4 | L734 | L734-I761 HydrophobicContact CD1-CD1 4.43Š| ||
| 762 | P | 39.2 | Very low | 34.7 | Very low | 90 Ų | 90 | 114.4 Ų | 114.4 | 58% | 0.584 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 145.6 | 175.7 | 29.1 | -33.8 | 0 | 0 | 0 | 111.1 | F760 | F760-P762 HydrophobicContact CE1-CB 4.15Š|
| 763 | P | 41.9 | Very low | 34.8 | Very low | 68 Ų | 68 | 112.6 Ų | 112.6 | 44% | 0.442 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 154.1 | 177.8 | 29.3 | -35.8 | 0 | 0 | 0 | 111.6 | L321 | L321-P763 WeakPolarHBondContact O-CB 3.29Š|
| 764 | P | 41.5 | Very low | 35 | Very low | 102 Ų | 102 | 113.1 Ų | 113.1 | 66% | 0.662 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 147.7 | 175.2 | 26.8 | -34.4 | 0 | 0 | 0 | 111.2 | S766 | P764-S766 PolarHBondContact O-N 2.88Š|
| 765 | P | 38.9 | Very low | 35.1 | Very low | 124 Ų | 124 | 110.1 Ų | 110.1 | 81% | 0.805 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 133.9 | 178.5 | 26.4 | -33.9 | 0 | 0 | 0 | 110.7 | I767 | P765-I767 PolarHBondContact O-N 3.44Š|
| 766 | S | 40.3 | Very low | 35 | Very low | 98 Ų | 98 | 108.9 Ų | 108.9 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 126.2 | 178.4 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | P764 | P764-S766 PolarHBondContact O-N 2.88Š|
| 767 | I | 35.4 | Very low | 35 | Very low | 151 Ų | 151 | 106 Ų | 106 | 77% | 0.774 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.9 | 177.1 | -60.3 | 170.1 | 0 | 0 | 0 | 108.9 | P765 Q769 | P765-I767 PolarHBondContact O-N 3.44Å; I767-Q769 PolarHBondContact O-N 3.32Å |
| 768 | P | 32 | Very low | 34.8 | Very low | 117 Ų | 117 | 108.4 Ų | 108.4 | 76% | 0.76 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -68 | 127.3 | 176.4 | 27.2 | -32.8 | 0 | 0 | 0 | 110.1 | ||
| 769 | Q | 35 | Very low | 34.6 | Very low | 143 Ų | 143 | 110.7 Ų | 110.7 | 67% | 0.668 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -65 | 151.4 | 172.1 | -78.6 | -173.5 | -53.4 | 0 | 0 | 111.2 | I767 S771 | I767-Q769 PolarHBondContact O-N 3.32Å; Q769-S771 PolarHBondContact O-N 2.97Å |
| 770 | P | 30 | Very low | 34.1 | Very low | 125 Ų | 125 | 114.6 Ų | 114.6 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | trans | -63.7 | 106 | 171.1 | 27 | -33.7 | 0 | 0 | 0 | 110 | L772 | P770-L772 PolarHBondContact O-N 3.21Š| ||
| 771 | S | 32.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 115.4 Ų | 115.4 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 120.4 | 169.4 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | Q769 | Q769-S771 PolarHBondContact O-N 2.97Š|
| 772 | L | 33.4 | Very low | 33 | Very low | 53 Ų | 53 | 117.6 Ų | 117.6 | 28% | 0.277 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 143.3 | 167.4 | -82 | 150.4 | 0 | 0 | 0 | 110.1 | Y298 P311 I313 P770 N774 | Y298-L772 HydrophobicContact CE1-CD2 3.78Å; Y298-L772 HydrophobicContact CE2-CD2 4.02Å; Y298-L772 VanDerWaalsContact CZ-CD2 3.43Å; Y298-L772 VanDerWaalsContact OH-CD2 3.3Å; Y298-L772 WeakPolarHBondContact OH-CD2 3.37Å; P311-L772 HydrophobicContact CG-CD1 4.05Å; I313-L772 HydrophobicContact CD1-CD1 4.14Å; P770-L772 PolarHBondContact O-N 3.21Å; L772-N774 PolarHBondContact O-N 3.47Å |
| 773 | P | 32 | Very low | 32.3 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 131.3 | 175.6 | 26.4 | -33.3 | 0 | 0 | 0 | 110.1 | S775 | P773-S775 PolarHBondContact O-N 3.46Š|
| 774 | N | 33 | Very low | 31.6 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 127.2 | 179.4 | -75.5 | -23.9 | 0 | 0 | 0 | 111 | L772 C776 | L772-N774 PolarHBondContact O-N 3.47Å; N774-C776 PolarHBondContact O-N 2.91Å |
| 775 | S | 30.8 | Very low | 30.8 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 122.2 | 174.5 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | P773 T777 | P773-S775 PolarHBondContact O-N 3.46Å; S775-T777 PolarHBondContact O-N 2.9Å |
| 776 | C | 27.1 | Very low | 30.2 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -70 | 89.4 | -179.5 | -70.9 | 0 | 0 | 0 | 0 | 110.6 | N774 N778 | N774-C776 PolarHBondContact O-N 2.91Å; C776-N778 PolarHBondContact O-N 2.92Å | ||
| 777 | T | 32.5 | Very low | 29.6 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | -76.6 | 120.5 | 167.4 | 50 | 0 | 0 | 0 | 0 | 109.5 | S775 S779 | S775-T777 PolarHBondContact O-N 2.9Å; T777-S779 VanDerWaalsContact C-N 3.33Å; T777-S779 PolarHBondContact O-N 3.25Å | ||
| 778 | N | 26 | Very low | 29.1 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -67.5 | 85.8 | 177.6 | -80.7 | -28.5 | 0 | 0 | 0 | 111.4 | C776 | C776-N778 PolarHBondContact O-N 2.92Š| ||
| 779 | S | 29.1 | Very low | 28.8 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | -97.9 | 111.7 | 158.4 | 57.5 | 0 | 0 | 0 | 0 | 109.2 | T777 L781 | T777-S779 VanDerWaalsContact C-N 3.33Å; T777-S779 PolarHBondContact O-N 3.25Å; S779-L781 VanDerWaalsContact C-N 3.33Å; S779-L781 PolarHBondContact O-N 3.44Å | ||
| 780 | T | 25.7 | Very low | 28.5 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 91% | 0.908 | 77% | 0.766 | S | S | * | * | trans | -67 | 82.2 | -179.2 | 37.2 | 0 | 0 | 0 | 0 | 112.3 | S782 | T780-S782 PolarHBondContact O-N 3.1Š| ||
| 781 | L | 27.8 | Very low | 28.3 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | -76.5 | 115.2 | 165.6 | -91.8 | 160.8 | 0 | 0 | 0 | 109.8 | S779 L783 | S779-L781 VanDerWaalsContact C-N 3.33Å; S779-L781 PolarHBondContact O-N 3.44Å; L781-L783 PolarHBondContact O-N 2.99Å | ||
| 782 | S | 27.6 | Very low | 28.1 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -39.2 | 131.4 | 174 | 176.4 | 0 | 0 | 0 | 0 | 112.6 | T780 K784 | T780-S782 PolarHBondContact O-N 3.1Å; S782-K784 PolarHBondContact O-N 3.42Å | ||
| 783 | L | 25.3 | Very low | 27.9 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -54.4 | 115.2 | 170.3 | -88.6 | 83.1 | 0 | 0 | 0 | 110.2 | L781 | L781-L783 PolarHBondContact O-N 2.99Š| ||
| 784 | K | 26.9 | Very low | 27.8 | Very low | 203 Ų | 203 | 135.7 Ų | 135.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -131.8 | 108.6 | 147.7 | -139.5 | 174.8 | -172.7 | 179.1 | 0 | 107.6 | S782 V786 | S782-K784 PolarHBondContact O-N 3.42Å; K784-V786 PolarHBondContact O-N 3.27Å | ||
| 785 | A | 25.9 | Very low | 27.8 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -67.3 | 128.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 786 | V | 26.4 | Very low | 27.7 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -123.2 | 106.1 | 145.5 | 178.5 | 0 | 0 | 0 | 0 | 107 | K784 | K784-V786 PolarHBondContact O-N 3.27Š| ||
| 787 | T | 26.3 | Very low | 27.8 | Very low | 124 Ų | 124 | 140 Ų | 140 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -64.9 | 123.8 | 172.7 | 44.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 788 | V | 25.7 | Very low | 27.3 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -109.3 | 98.4 | 166 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 789 | Q | 25 | Very low | 27.4 | Very low | 178 Ų | 178 | 143.1 Ų | 143.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -167 | 152.4 | 175.3 | -119.3 | -171.4 | -5.8 | 0 | 0 | 108.2 | ||||
| 790 | P | 29.4 | Very low | 27.1 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 62% | 0.623 | 80% | 0.8 | S | S | * | * | -127.6 | -167.7 | -57.7 | 34.4 | -18 | 0 | 0 | 0 | 111.2 | |||||
| 791 | N | 26.4 | Very low | 27.1 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 80% | 0.795 | S | S | * | * | trans | 84.5 | 118.6 | 152.1 | -69.5 | -7.9 | 0 | 0 | 0 | 122.8 | ||||
| 792 | F | 27.9 | Very low | 26.9 | Very low | 161 Ų | 161 | 140 Ų | 140 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 92.9 | 119.8 | 119.7 | -86.2 | -130 | 0 | 0 | 0 | 123.1 | |||||
| 793 | Q | 28.7 | Very low | 26.8 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | 77 | 127.8 | 136.1 | -71.8 | 178.1 | -20.5 | 0 | 0 | 121.4 | ||||
| 794 | G | 31.2 | Very low | 26.8 | Very low | 73 Ų | 73 | 143.5 Ų | 143.5 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 178.9 | 35.8 | 176 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 795 | N | 32.4 | Very low | 26.9 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 76.4 | 118.1 | 159.4 | -65.2 | -14.2 | 0 | 0 | 0 | 123.5 | ||||
| 796 | L | 27.8 | Very low | 26.8 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 68.6 | 130.3 | 136.7 | -56.9 | 166.7 | 0 | 0 | 0 | 118.4 | ||||
| 797 | L | 29.4 | Very low | 26.8 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | cis | -125 | 147 | 18.1 | -92.3 | 149.9 | 0 | 0 | 0 | 113 | ||||
| 798 | F | 23.5 | Very low | 26.8 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 77% | 0.772 | 78% | 0.776 | S | S | * | * | trans | -85.8 | 135 | 169.7 | -103.5 | -108 | 0 | 0 | 0 | 110.9 | Q800 | F798-Q800 HydrophobicContact CD1-CB 4.24Š| ||
| 799 | L | 26.9 | Very low | 26.8 | Very low | 178 Ų | 178 | 145 Ų | 145 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | trans | -125.5 | 102.3 | 149.2 | -100.7 | 171.5 | 0 | 0 | 0 | 108.6 | ||||
| 800 | Q | 22.6 | Very low | 26.8 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -97.2 | 106 | 177.8 | -177.8 | 178.9 | 3.6 | 0 | 0 | 109.1 | F798 | F798-Q800 HydrophobicContact CD1-CB 4.24Š| ||
| 801 | S | 26.8 | Very low | 26.6 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -127.3 | 95 | 157 | 57.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 802 | G | 24 | Very low | 26.6 | Very low | 55 Ų | 55 | 141.6 Ų | 141.6 | 57% | 0.567 | 78% | 0.777 | S | S | * | * | cis | 80.6 | 113.7 | 24.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 803 | C | 24.6 | Very low | 26.4 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 70.8 | 80.9 | -175.2 | -55.7 | 0 | 0 | 0 | 0 | 116 | P805 | C803-P805 VanDerWaalsContact O-CD 3.29Å; C803-P805 WeakPolarHBondContact O-CD 3.48Å | ||
| 804 | Y | 24.7 | Very low | 26.4 | Very low | 233 Ų | 233 | 138.2 Ų | 138.2 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | -60.9 | 116 | 122.8 | -89.9 | -92.4 | 0 | 0 | 0 | 106.8 | Q806 | Y804-Q806 PolarHBondContact O-N 3.24Š| |||
| 805 | P | 28.5 | Very low | 26.1 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | trans | -75.2 | 111.1 | 159 | 28.9 | -23.4 | 0 | 0 | 0 | 106.9 | C803 V807 | C803-P805 VanDerWaalsContact O-CD 3.29Å; C803-P805 WeakPolarHBondContact O-CD 3.48Å; P805-V807 VanDerWaalsContact C-N 3.32Å; P805-V807 PolarHBondContact O-N 2.86Å | ||
| 806 | Q | 24.5 | Very low | 26.1 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -58.8 | 103.1 | 155.2 | -76.4 | -171.8 | -27.9 | 0 | 0 | 107.4 | Y804 M808 | Y804-Q806 PolarHBondContact O-N 3.24Å; Q806-M808 PolarHBondContact O-N 3.49Å; Q806-M808 VanDerWaalsContact O-N 3.17Å | ||
| 807 | V | 27.7 | Very low | 26 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -87.3 | 79.2 | 157.7 | -174.6 | 0 | 0 | 0 | 0 | 106.3 | P805 | P805-V807 VanDerWaalsContact C-N 3.32Å; P805-V807 PolarHBondContact O-N 2.86Å | ||
| 808 | M | 25.2 | Very low | 26.1 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -27.2 | 139.2 | 141.9 | -84.3 | -172.7 | 159.4 | 0 | 0 | 112.2 | Q806 S810 | Q806-M808 PolarHBondContact O-N 3.49Å; Q806-M808 VanDerWaalsContact O-N 3.17Å; M808-S810 PolarHBondContact O-N 2.99Å; M808-S810 VanDerWaalsContact O-N 3.07Å | ||
| 809 | N | 24.9 | Very low | 26.4 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | -43.1 | 113.6 | 164.9 | -63 | -34.8 | 0 | 0 | 0 | 111.7 | ||||
| 810 | S | 25.5 | Very low | 26.6 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | trans | -126.4 | 97.1 | 157.1 | 66.2 | 0 | 0 | 0 | 0 | 109.2 | M808 T812 | M808-S810 PolarHBondContact O-N 2.99Å; M808-S810 VanDerWaalsContact O-N 3.07Å; S810-T812 PolarHBondContact O-N 2.92Å | ||
| 811 | V | 24.7 | Very low | 27.2 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -59.4 | 107.3 | 163.1 | 174.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 812 | T | 26.9 | Very low | 27.6 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | trans | -128.6 | 82.4 | 161.2 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | S810 N814 | S810-T812 PolarHBondContact O-N 2.92Å; T812-N814 PolarHBondContact O-N 3.36Å | ||
| 813 | T | 24.7 | Very low | 28 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | -49 | 114.5 | 153 | 45.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 814 | N | 28 | Very low | 28.4 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -132.1 | 78.1 | 164.9 | -103.4 | -20.7 | 0 | 0 | 0 | 109.3 | T812 Q816 | T812-N814 PolarHBondContact O-N 3.36Å; N814-Q816 PolarHBondContact O-N 3.09Å | ||
| 815 | S | 25.4 | Very low | 28.7 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | -65.9 | 114.2 | 160 | 50.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 816 | Q | 31.2 | Very low | 29 | Very low | 189 Ų | 189 | 129.6 Ų | 129.6 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -106.4 | 106.5 | 155.4 | -77.6 | -164.1 | -23.5 | 0 | 0 | 109.1 | N814 | N814-Q816 PolarHBondContact O-N 3.09Š| ||
| 817 | L | 26.2 | Very low | 29.5 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -71.1 | 132.5 | 168.2 | -98.5 | 71.2 | 0 | 0 | 0 | 109.8 | ||||
| 818 | S | 31.4 | Very low | 29.8 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -134 | 78.6 | 147.5 | 63.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 819 | Q | 30.6 | Very low | 30 | Very low | 180 Ų | 180 | 129.3 Ų | 129.3 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | trans | 16.9 | 132.9 | 137.5 | -64.7 | -178.5 | -19.1 | 0 | 0 | 119.2 | ||||
| 820 | G | 30.9 | Very low | 30.2 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -170.7 | 18.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 821 | S | 34.6 | Very low | 30.3 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | 60 | 152.5 | 171.3 | 67.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 822 | S | 35.5 | Very low | 30.6 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | cis | -159.4 | 158.8 | -7.9 | 43.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 823 | G | 32.4 | Very low | 30.8 | Very low | 63 Ų | 63 | 139.7 Ų | 139.7 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | cis | 176 | 166.7 | -8.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 824 | L | 32.3 | Very low | 31.1 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | 65.8 | 137.8 | 165.3 | -62.2 | 145.2 | 0 | 0 | 0 | 117.2 | ||||
| 825 | T | 32.4 | Very low | 31.3 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | cis | -170.8 | 158 | -15.5 | 10.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 826 | N | 34.7 | Very low | 31.7 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 65% | 0.647 | 80% | 0.798 | S | S | * | * | cis | -167.8 | 144.8 | 40.8 | -115.8 | -12.9 | 0 | 0 | 0 | 111.9 | ||||
| 827 | Y | 34.6 | Very low | 31.7 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | 53 | 103.4 | 155.6 | -70.5 | -102 | 0 | 0 | 0 | 120.4 | ||||
| 828 | L | 33.5 | Very low | 32.1 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | 80.8 | 100.4 | 67.2 | -71.9 | 165.9 | 0 | 0 | 0 | 112.8 | |||||
| 829 | N | 29.8 | Very low | 32.1 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | 79.4 | 124 | 92.6 | -80.7 | 9.7 | 0 | 0 | 0 | 112.6 | |||||
| 830 | Y | 29.4 | Very low | 32.2 | Very low | 220 Ų | 220 | 137.9 Ų | 137.9 | 86% | 0.863 | 79% | 0.789 | S | S | * | * | -153.8 | 141.6 | 66.3 | -112.8 | -93.2 | 0 | 0 | 0 | 113.2 | |||||
| 831 | H | 28 | Very low | 32.3 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -85.6 | 149.2 | 166.1 | -105.6 | -82.6 | 0 | 0 | 0 | 111.5 | ||||
| 832 | S | 31 | Very low | 32.1 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 100% | 1.21 | 79% | 0.791 | S | S | * | * | trans | -131.1 | 0 | 145.4 | 69.3 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 832 of 832 residues in 526.6 ms
(Link to these results)