| 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 | 62.4 | Low | 70.9 | Confident | 207 Ų | 207 | 110.4 Ų | 110.4 | 100% | 1.02 | 62% | 0.615 | S | S | * | * | 0 | -33.8 | 0 | -86.8 | 156.5 | 64.1 | 0 | 0 | 113.8 | A3 | M1-A3 PolarHBondContact O-N 3.43Š| |||
| 2 | N | 69.7 | Low | 70.9 | Confident | 136 Ų | 136 | 111.6 Ų | 111.6 | 73% | 0.727 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68 | -32 | -177.2 | -76.5 | -3.6 | 0 | 0 | 0 | 116.1 | L4 L6 | N2-L4 VanDerWaalsContact C-N 3.35Å; N2-L4 PolarHBondContact O-N 3.28Å; N2-L6 PolarHBondContact O-N 3.27Å |
| 3 | A | 74.6 | Confident | 71 | Confident | 75 Ų | 75 | 113 Ų | 113 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.5 | -33.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | M1 L7 | M1-A3 PolarHBondContact O-N 3.43Å; A3-L7 PolarHBondContact O-N 3.44Å |
| 4 | L | 72.3 | Confident | 71 | Confident | 122 Ų | 122 | 109.9 Ų | 109.9 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73.9 | -35.7 | -179.6 | -153.9 | 79.4 | 0 | 0 | 0 | 111.6 | N2 L7 I8 | N2-L4 VanDerWaalsContact C-N 3.35Å; N2-L4 PolarHBondContact O-N 3.28Å; L4-L7 PolarHBondContact O-N 3.22Å; L4-I8 WeakPolarHBondContact O-CD1 3.43Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.44Å; L4-I8 PolarHBondContact O-N 3.27Å |
| 5 | L | 69.1 | Low | 70.7 | Confident | 116 Ų | 116 | 106.2 Ų | 106.2 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.3 | -39.6 | 174.9 | -106.5 | 96.1 | 0 | 0 | 0 | 112.2 | I8 T9 | L5-I8 PolarHBondContact O-N 3.29Å; L5-T9 WeakPolarHBondContact O-CG2 3.49Å; L5-T9 PolarHBondContact O-N 3.18Å; L5-T9 PolarHBondContact O-OG1 3.3Å |
| 6 | L | 71.1 | Confident | 70.6 | Confident | 111 Ų | 111 | 110.6 Ų | 110.6 | 58% | 0.581 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.6 | -36.2 | 178.1 | -100.9 | 154.9 | 0 | 0 | 0 | 113 | N2 T9 L10 | N2-L6 PolarHBondContact O-N 3.27Å; L6-T9 PolarHBondContact O-OG1 3.47Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.47Å; L6-L10 VanDerWaalsContact O-N 3.15Å |
| 7 | L | 70.8 | Confident | 70.5 | Confident | 116 Ų | 116 | 110.4 Ų | 110.4 | 61% | 0.607 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.3 | -36.2 | 175.4 | -73.2 | 170.3 | 0 | 0 | 0 | 112 | A3 L4 A11 | A3-L7 PolarHBondContact O-N 3.44Å; L4-L7 PolarHBondContact O-N 3.22Å; L7-A11 WeakPolarHBondContact O-CB 3.5Å; L7-A11 PolarHBondContact O-N 3.01Å; L7-A11 VanDerWaalsContact O-N 3.08Å |
| 8 | I | 72.9 | Confident | 70 | Confident | 85 Ų | 85 | 107.6 Ų | 107.6 | 44% | 0.436 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.9 | -39.8 | 177.7 | -67.2 | 166.3 | 0 | 0 | 0 | 111 | L4 L5 A11 M12 | L4-I8 WeakPolarHBondContact O-CD1 3.43Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.44Å; L4-I8 PolarHBondContact O-N 3.27Å; L5-I8 PolarHBondContact O-N 3.29Å; I8-A11 PolarHBondContact O-N 3.42Å; I8-M12 HydrophobicContact CG2-CE 3.53Å; I8-M12 WeakPolarHBondContact O-CG 3.46Å; I8-M12 PolarHBondContact O-N 3.1Å |
| 9 | T | 72.3 | Confident | 69.6 | Low | 75 Ų | 75 | 108.4 Ų | 108.4 | 46% | 0.46 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.9 | -38.7 | 177.5 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | L5 L6 M12 F13 | L5-T9 WeakPolarHBondContact O-CG2 3.49Å; L5-T9 PolarHBondContact O-N 3.18Å; L5-T9 PolarHBondContact O-OG1 3.3Å; L6-T9 PolarHBondContact O-OG1 3.47Å; T9-M12 PolarHBondContact O-N 3.11Å; T9-F13 WeakPolarHBondContact O-CB 3.29Å; T9-F13 PolarHBondContact O-N 3.46Å |
| 10 | L | 73.6 | Confident | 69.1 | Low | 113 Ų | 113 | 105.3 Ų | 105.3 | 59% | 0.592 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.1 | -40.1 | 174.6 | -77.8 | 166 | 0 | 0 | 0 | 112.3 | L6 F13 S14 | L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.47Å; L6-L10 VanDerWaalsContact O-N 3.15Å; L10-F13 PolarHBondContact O-N 3.32Å; L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 2.96Å |
| 11 | A | 70.8 | Confident | 68.7 | Low | 58 Ų | 58 | 106.9 Ų | 106.9 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.2 | -35.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L7 I8 S14 A15 | L7-A11 WeakPolarHBondContact O-CB 3.5Å; L7-A11 PolarHBondContact O-N 3.01Å; L7-A11 VanDerWaalsContact O-N 3.08Å; I8-A11 PolarHBondContact O-N 3.42Å; A11-S14 PolarHBondContact O-OG 3.08Å; A11-S14 VanDerWaalsContact O-OG 3.06Å; A11-A15 WeakPolarHBondContact O-CB 3.47Å; A11-A15 PolarHBondContact O-N 3.33Å |
| 12 | M | 71.3 | Confident | 68.5 | Low | 125 Ų | 125 | 103 Ų | 103 | 62% | 0.616 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.1 | -34.9 | 173.3 | -74.6 | -159.6 | -102.1 | 0 | 0 | 112.2 | I8 T9 W16 | I8-M12 HydrophobicContact CG2-CE 3.53Å; I8-M12 WeakPolarHBondContact O-CG 3.46Å; I8-M12 PolarHBondContact O-N 3.1Å; T9-M12 PolarHBondContact O-N 3.11Å; M12-W16 WeakPolarHBondContact O-CB 3.44Å; M12-W16 PolarHBondContact O-N 3.4Å |
| 13 | F | 72.4 | Confident | 67.8 | Low | 130 Ų | 130 | 103.4 Ų | 103.4 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.8 | -40.1 | 178.1 | -140.9 | -95.8 | 0 | 0 | 0 | 112.2 | T9 L10 W16 Q17 | T9-F13 WeakPolarHBondContact O-CB 3.29Å; T9-F13 PolarHBondContact O-N 3.46Å; L10-F13 PolarHBondContact O-N 3.32Å; F13-W16 PolarHBondContact O-N 3.15Å; F13-Q17 HydrophobicContact CD1-CG 4.49Å; F13-Q17 WeakPolarHBondContact O-CG 3.42Å; F13-Q17 PolarHBondContact O-N 3.06Å |
| 14 | S | 70.2 | Confident | 67 | Low | 70 Ų | 70 | 102.5 Ų | 102.5 | 49% | 0.49 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 176.8 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | L10 A11 W16 Q17 A18 | L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 2.96Å; A11-S14 PolarHBondContact O-OG 3.08Å; A11-S14 VanDerWaalsContact O-OG 3.06Å; S14-W16 VanDerWaalsContact C-N 3.34Å; S14-W16 PolarHBondContact O-N 2.99Å; S14-Q17 PolarHBondContact O-N 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 3.06Å |
| 15 | A | 67.5 | Low | 66 | Low | 54 Ų | 54 | 100.6 Ų | 100.6 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A11 A18 Q19 | A11-A15 WeakPolarHBondContact O-CB 3.47Å; A11-A15 PolarHBondContact O-N 3.33Å; A15-A18 PolarHBondContact O-N 2.95Å; A15-Q19 WeakPolarHBondContact O-CG 3.47Å; A15-Q19 PolarHBondContact O-N 3.08Å; A15-Q19 VanDerWaalsContact O-N 3.11Å |
| 16 | W | 68.6 | Low | 65.3 | Low | 177 Ų | 177 | 102.7 Ų | 102.7 | 67% | 0.67 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.7 | -39.3 | 176.1 | -164.5 | 80 | 0 | 0 | 0 | 112.2 | M12 F13 S14 Q19 A20 | M12-W16 WeakPolarHBondContact O-CB 3.44Å; M12-W16 PolarHBondContact O-N 3.4Å; F13-W16 PolarHBondContact O-N 3.15Å; S14-W16 VanDerWaalsContact C-N 3.34Å; S14-W16 PolarHBondContact O-N 2.99Å; W16-Q19 PolarHBondContact O-N 3.49Å; W16-A20 WeakPolarHBondContact O-CB 3.49Å; W16-A20 PolarHBondContact O-N 3.37Å |
| 17 | Q | 68.7 | Low | 64.4 | Low | 106 Ų | 106 | 104.2 Ų | 104.2 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 173.3 | -75.4 | -179 | -23.3 | 0 | 0 | 112.4 | F13 S14 Q19 A20 Q21 | F13-Q17 HydrophobicContact CD1-CG 4.49Å; F13-Q17 WeakPolarHBondContact O-CG 3.42Å; F13-Q17 PolarHBondContact O-N 3.06Å; S14-Q17 PolarHBondContact O-N 3.31Å; Q17-Q19 VanDerWaalsContact C-N 3.34Å; Q17-Q19 PolarHBondContact O-N 2.88Å; Q17-A20 PolarHBondContact O-N 3.22Å; Q17-Q21 WeakPolarHBondContact O-CG 3.49Å; Q17-Q21 PolarHBondContact O-N 3.04Å |
| 18 | A | 62 | Low | 63.2 | Low | 61 Ų | 61 | 102.1 Ų | 102.1 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S14 A15 Y22 | S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 3.06Å; A15-A18 PolarHBondContact O-N 2.95Å; A18-Y22 WeakPolarHBondContact O-CB 3.49Å; A18-Y22 PolarHBondContact O-N 3.25Å; A18-Y22 VanDerWaalsContact O-N 3.08Å |
| 19 | Q | 62.3 | Low | 61.7 | Low | 122 Ų | 122 | 107.6 Ų | 107.6 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.1 | -43 | 173.1 | -68.8 | -173.9 | -2.3 | 0 | 0 | 111.5 | A15 W16 Q17 Q21 Y22 W23 | A15-Q19 WeakPolarHBondContact O-CG 3.47Å; A15-Q19 PolarHBondContact O-N 3.08Å; A15-Q19 VanDerWaalsContact O-N 3.11Å; W16-Q19 PolarHBondContact O-N 3.49Å; Q17-Q19 VanDerWaalsContact C-N 3.34Å; Q17-Q19 PolarHBondContact O-N 2.88Å; Q19-Q21 PolarHBondContact O-N 3.08Å; Q19-Y22 PolarHBondContact O-N 2.93Å; Q19-W23 PolarHBondContact O-N 3.11Å |
| 20 | A | 60.4 | Low | 60.5 | Low | 46 Ų | 46 | 112.8 Ų | 112.8 | 38% | 0.38 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.4 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W16 Q17 S24 | W16-A20 WeakPolarHBondContact O-CB 3.49Å; W16-A20 PolarHBondContact O-N 3.37Å; Q17-A20 PolarHBondContact O-N 3.22Å; A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.34Å; A20-S24 PolarHBondContact O-N 2.98Å; A20-S24 PolarHBondContact O-OG 3.4Å |
| 21 | Q | 59.1 | Low | 59 | Low | 140 Ų | 140 | 111.5 Ų | 111.5 | 65% | 0.654 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.9 | -37.9 | 173.7 | -71 | -163.8 | -29.3 | 0 | 0 | 112.8 | Q17 Q19 S24 T25 | Q17-Q21 WeakPolarHBondContact O-CG 3.49Å; Q17-Q21 PolarHBondContact O-N 3.04Å; Q19-Q21 PolarHBondContact O-N 3.08Å; Q21-S24 WeakPolarHBondContact CA-OG 3.49Å; Q21-S24 PolarHBondContact O-N 3.37Å; Q21-S24 PolarHBondContact O-OG 2.99Å; Q21-T25 WeakPolarHBondContact O-CB 3.2Å; Q21-T25 PolarHBondContact O-N 2.88Å; Q21-T25 PolarHBondContact O-OG1 2.71Å |
| 22 | Y | 59.8 | Low | 57.7 | Low | 124 Ų | 124 | 114 Ų | 114 | 49% | 0.486 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.5 | -37.5 | 175.1 | -168.7 | -100.8 | 0 | 0 | 0 | 112.8 | A18 Q19 T25 R26 | A18-Y22 WeakPolarHBondContact O-CB 3.49Å; A18-Y22 PolarHBondContact O-N 3.25Å; A18-Y22 VanDerWaalsContact O-N 3.08Å; Q19-Y22 PolarHBondContact O-N 2.93Å; Y22-T25 PolarHBondContact O-OG1 3.46Å; Y22-R26 WeakPolarHBondContact O-CB 3.45Å; Y22-R26 PolarHBondContact O-N 3.5Å; Y22-R26 VanDerWaalsContact O-N 3.13Å; Y22-R26 PolarHBondContact OH-NH2 3.37Å |
| 23 | W | 54.9 | Low | 56 | Low | 146 Ų | 146 | 109.3 Ų | 109.3 | 55% | 0.553 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -75.9 | -35.3 | 174 | -73.2 | 78 | 0 | 0 | 0 | 111.2 | Q19 R26 Y27 | Q19-W23 PolarHBondContact O-N 3.11Å; W23-R26 PolarHBondContact O-N 3.39Å; W23-Y27 HydrophobicContact CD2-CE2 4.27Å; W23-Y27 AromaticContact CE3-CD2 3.85Å; W23-Y27 HydrophobicContact CE3-CD2 3.85Å; W23-Y27 AromaticContact CE3-CE2 3.19Å; W23-Y27 HydrophobicContact CE3-CE2 3.19Å; W23-Y27 AromaticContact CE3-CZ 3.99Å; W23-Y27 AromaticContact CZ3-CE2 3.45Å; W23-Y27 HydrophobicContact CZ3-CE2 3.45Å; W23-Y27 VanDerWaalsContact CZ3-CE2 3.45Å; W23-Y27 AromaticContact CZ3-CZ 3.86Å; W23-Y27 VanDerWaalsContact O-CB 3.32Å; W23-Y27 WeakPolarHBondContact O-CB 3.48Å; W23-Y27 VanDerWaalsContact O-CD2 3.3Å; W23-Y27 WeakPolarHBondContact O-CD2 3.46Å; W23-Y27 PolarHBondContact O-N 3.48Å |
| 24 | S | 56.3 | Low | 54.3 | Low | 56 Ų | 56 | 106.8 Ų | 106.8 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 172.6 | 80.4 | 0 | 0 | 0 | 0 | 111.4 | A20 Q21 R26 Y27 T28 | A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.34Å; A20-S24 PolarHBondContact O-N 2.98Å; A20-S24 PolarHBondContact O-OG 3.4Å; Q21-S24 WeakPolarHBondContact CA-OG 3.49Å; Q21-S24 PolarHBondContact O-N 3.37Å; Q21-S24 PolarHBondContact O-OG 2.99Å; S24-R26 VanDerWaalsContact C-N 3.34Å; S24-R26 PolarHBondContact O-N 3.01Å; S24-Y27 PolarHBondContact O-N 3.32Å; S24-T28 VanDerWaalsContact O-CB 3.25Å; S24-T28 WeakPolarHBondContact O-CB 3.36Å; S24-T28 WeakPolarHBondContact O-CG2 3.03Å; S24-T28 PolarHBondContact O-N 2.82Å; S24-T28 PolarHBondContact O-OG1 3.44Å |
| 25 | T | 53.1 | Low | 53 | Low | 81 Ų | 81 | 109.7 Ų | 109.7 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77.2 | -14.6 | -179.3 | 46.4 | 0 | 0 | 0 | 0 | 114 | Q21 Y22 W29 | Q21-T25 WeakPolarHBondContact O-CB 3.2Å; Q21-T25 PolarHBondContact O-N 2.88Å; Q21-T25 PolarHBondContact O-OG1 2.71Å; Y22-T25 PolarHBondContact O-OG1 3.46Å; T25-W29 PolarHBondContact O-NE1 2.83Å |
| 26 | R | 53.4 | Low | 52 | Low | 161 Ų | 161 | 115 Ų | 115 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -93.3 | -26.4 | 169 | -97 | -175.5 | 174.8 | -165.9 | -1.2 | 114.1 | Y22 W23 S24 | Y22-R26 WeakPolarHBondContact O-CB 3.45Å; Y22-R26 PolarHBondContact O-N 3.5Å; Y22-R26 VanDerWaalsContact O-N 3.13Å; Y22-R26 PolarHBondContact OH-NH2 3.37Å; W23-R26 PolarHBondContact O-N 3.39Å; S24-R26 VanDerWaalsContact C-N 3.34Å; S24-R26 PolarHBondContact O-N 3.01Å |
| 27 | Y | 51.4 | Low | 51 | Low | 142 Ų | 142 | 108.8 Ų | 108.8 | 56% | 0.557 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -96.8 | -16 | 178.5 | -78.6 | -95.5 | 0 | 0 | 0 | 113.9 | W23 S24 W29 Y30 A31 | W23-Y27 HydrophobicContact CD2-CE2 4.27Å; W23-Y27 AromaticContact CE3-CD2 3.85Å; W23-Y27 HydrophobicContact CE3-CD2 3.85Å; W23-Y27 AromaticContact CE3-CE2 3.19Å; W23-Y27 HydrophobicContact CE3-CE2 3.19Å; W23-Y27 AromaticContact CE3-CZ 3.99Å; W23-Y27 AromaticContact CZ3-CE2 3.45Å; W23-Y27 HydrophobicContact CZ3-CE2 3.45Å; W23-Y27 VanDerWaalsContact CZ3-CE2 3.45Å; W23-Y27 AromaticContact CZ3-CZ 3.86Å; W23-Y27 VanDerWaalsContact O-CB 3.32Å; W23-Y27 WeakPolarHBondContact O-CB 3.48Å; W23-Y27 VanDerWaalsContact O-CD2 3.3Å; W23-Y27 WeakPolarHBondContact O-CD2 3.46Å; W23-Y27 PolarHBondContact O-N 3.48Å; S24-Y27 PolarHBondContact O-N 3.32Å; Y27-W29 PolarHBondContact O-N 3.2Å; Y27-Y30 PolarHBondContact O-N 3.05Å; Y27-Y30 VanDerWaalsContact O-N 3.11Å; Y27-A31 PolarHBondContact O-N 3.15Å |
| 28 | T | 46 | Very low | 50.3 | Low | 73 Ų | 73 | 107.7 Ų | 107.7 | 45% | 0.448 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69 | -19.2 | 170.2 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | S24 Y30 A31 T32 | S24-T28 VanDerWaalsContact O-CB 3.25Å; S24-T28 WeakPolarHBondContact O-CB 3.36Å; S24-T28 WeakPolarHBondContact O-CG2 3.03Å; S24-T28 PolarHBondContact O-N 2.82Å; S24-T28 PolarHBondContact O-OG1 3.44Å; T28-Y30 PolarHBondContact O-N 2.87Å; T28-A31 PolarHBondContact O-N 2.9Å; T28-T32 PolarHBondContact O-N 3.04Å; T28-T32 VanDerWaalsContact O-N 3.13Å; T28-T32 PolarHBondContact O-OG1 3.21Å; T28-T32 VanDerWaalsContact O-OG1 3.08Å |
| 29 | W | 41.2 | Very low | 50.6 | Low | 199 Ų | 199 | 106.8 Ų | 106.8 | 75% | 0.754 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70 | -12.6 | 169.3 | -71.9 | 91.8 | 0 | 0 | 0 | 113.9 | T25 Y27 | T25-W29 PolarHBondContact O-NE1 2.83Å; Y27-W29 PolarHBondContact O-N 3.2Å |
| 30 | Y | 46.9 | Very low | 51.5 | Low | 184 Ų | 184 | 105.1 Ų | 105.1 | 72% | 0.722 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -106 | -14.6 | 175.8 | -69 | -77.7 | 0 | 0 | 0 | 113.3 | Y27 T28 | Y27-Y30 PolarHBondContact O-N 3.05Å; Y27-Y30 VanDerWaalsContact O-N 3.11Å; T28-Y30 PolarHBondContact O-N 2.87Å |
| 31 | A | 43.5 | Very low | 52.6 | Low | 87 Ų | 87 | 103.3 Ų | 103.3 | 72% | 0.719 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -104.2 | -13.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y27 T28 | Y27-A31 PolarHBondContact O-N 3.15Å; T28-A31 PolarHBondContact O-N 2.9Å |
| 32 | T | 42.7 | Very low | 53.4 | Low | 111 Ų | 111 | 101.8 Ų | 101.8 | 68% | 0.681 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -108.7 | 60.7 | 151.5 | 54.3 | 0 | 0 | 0 | 0 | 107.5 | T28 | T28-T32 PolarHBondContact O-N 3.04Å; T28-T32 VanDerWaalsContact O-N 3.13Å; T28-T32 PolarHBondContact O-OG1 3.21Å; T28-T32 VanDerWaalsContact O-OG1 3.08Å |
| 33 | G | 36.4 | Very low | 54.2 | Low | 26 Ų | 26 | 100.3 Ų | 100.3 | 27% | 0.268 | 54% | 0.544 | S | S | . | . | trans | -50.2 | 131.4 | 154 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 34 | P | 36.7 | Very low | 55.4 | Low | 76 Ų | 76 | 95.8 Ų | 95.8 | 49% | 0.494 | 53% | 0.529 | S | S | . | . | trans | -48.1 | 157.1 | 172 | 17.6 | -25.9 | 0 | 0 | 0 | 106.9 | Y36 | P34-Y36 HydrophobicContact CG-CD1 3.78Å; P34-Y36 HydrophobicContact CG-CD2 4.21Å; P34-Y36 HydrophobicContact CG-CE1 4Å; P34-Y36 HydrophobicContact CG-CE2 4.44Å; P34-Y36 HydrophobicContact CG-CG 3.9Å; P34-Y36 VanDerWaalsContact O-CA 3.31Å; P34-Y36 WeakPolarHBondContact O-CA 3.5Å; P34-Y36 WeakPolarHBondContact O-CD2 3.46Å; P34-Y36 PolarHBondContact O-N 2.94Å | ||
| 35 | T | 42.3 | Very low | 56.5 | Low | 131 Ų | 131 | 97.3 Ų | 97.3 | 80% | 0.804 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -48.5 | 90.7 | 146.2 | 46.7 | 0 | 0 | 0 | 0 | 104.8 | G37 | T35-G37 WeakPolarHBondContact O-CA 3.25Å; T35-G37 PolarHBondContact O-N 3.08Å |
| 36 | Y | 47.4 | Very low | 57.8 | Low | 167 Ų | 167 | 96.2 Ų | 96.2 | 66% | 0.655 | 53% | 0.53 | S | S | * | . | trans | -62.2 | 111.8 | -153.7 | -100.9 | -86.4 | 0 | 0 | 0 | 105.2 | P34 V38 | P34-Y36 HydrophobicContact CG-CD1 3.78Å; P34-Y36 HydrophobicContact CG-CD2 4.21Å; P34-Y36 HydrophobicContact CG-CE1 4Å; P34-Y36 HydrophobicContact CG-CE2 4.44Å; P34-Y36 HydrophobicContact CG-CG 3.9Å; P34-Y36 VanDerWaalsContact O-CA 3.31Å; P34-Y36 WeakPolarHBondContact O-CA 3.5Å; P34-Y36 WeakPolarHBondContact O-CD2 3.46Å; P34-Y36 PolarHBondContact O-N 2.94Å; Y36-V38 PolarHBondContact O-N 3.13Å | ||
| 37 | G | 46 | Very low | 59.3 | Low | 46 Ų | 46 | 88.6 Ų | 88.6 | 47% | 0.474 | 50% | 0.502 | S | S | . | . | trans | -38.3 | 108.6 | -144.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T35 S39 | T35-G37 WeakPolarHBondContact O-CA 3.25Å; T35-G37 PolarHBondContact O-N 3.08Å; G37-S39 PolarHBondContact O-N 3.41Å | ||
| 38 | V | 54 | Low | 60.9 | Low | 82 Ų | 82 | 89.7 Ų | 89.7 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | trans | -71.1 | 74.7 | 160.9 | -150.9 | 0 | 0 | 0 | 0 | 105.2 | Y36 A40 N57 | Y36-V38 PolarHBondContact O-N 3.13Å; V38-A40 PolarHBondContact O-N 2.82Å; V38-N57 HydrophobicContact CG1-CB 3.35Å; V38-N57 WeakPolarHBondContact CG1-OD1 3.5Å | ||
| 39 | S | 69.6 | Low | 62.8 | Low | 43 Ų | 43 | 88.3 Ų | 88.3 | 30% | 0.301 | 51% | 0.51 | S | S | . | . | trans | -66.7 | 128 | 171.8 | 54.3 | 0 | 0 | 0 | 0 | 106 | G37 C41 C58 | G37-S39 PolarHBondContact O-N 3.41Å; S39-C41 PolarHBondContact O-N 2.84Å; S39-C58 PolarHBondContact O-N 3.23Å; S39-C58 VanDerWaalsContact O-N 3.16Å; S39-C58 PolarHBondContact O-SG 3.32Å; S39-C58 WeakPolarHBondContact OG-CB 3.1Å; S39-C58 PolarHBondContact OG-SG 3.43Å | ||
| 40 | A | 81.4 | Confident | 65 | Low | 86 Ų | 86 | 85 Ų | 85 | 71% | 0.711 | 50% | 0.503 | S | S | * | . | B | Isolated β-bridge | trans | -57 | 139.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V38 G56 | V38-A40 PolarHBondContact O-N 2.82Å; A40-G56 CarbonylContact C-O 3.53Å; A40-G56 WeakPolarHBondContact CA-O 3.03Å |
| 41 | C | 82.5 | Confident | 67.1 | Low | 8 Ų | 8 | 78.5 Ų | 78.5 | 5% | 0.054 | 48% | 0.48 | C | S | . | . | trans | -139 | 144.2 | 177.2 | 63.3 | 0 | 0 | 0 | 0 | 110.2 | S39 D46 C53 G56 N57 C58 | S39-C41 PolarHBondContact O-N 2.84Å; C41-D46 HydrophobicContact CB-CB 3.72Å; C41-C53 VanDerWaalsContact C-SG 3.55Å; C41-C53 HydrophobicContact CB-CB 3.76Å; C41-C53 WeakPolarHBondContact CB-SG 3.39Å; C41-C53 PolarHBondContact O-SG 3.42Å; C41-C53 WeakPolarHBondContact SG-CA 3.27Å; C41-C53 WeakPolarHBondContact SG-CB 3.3Å; C41-C53 CovalentContact SG-SG 2.02Å; C41-C53 PolarHBondContact SG-SG 3.41Å; C41-G56 PolarHBondContact N-O 2.76Å; C41-G56 CarbonylContact O-C 2.94Å; C41-G56 VanDerWaalsContact O-CA 3.28Å; C41-G56 WeakPolarHBondContact O-CA 2.95Å; C41-G56 VanDerWaalsContact SG-C 3.55Å; C41-N57 PolarHBondContact SG-N 2.9Å; C41-N57 PolarHBondContact SG-O 3.13Å; C41-N57 VanDerWaalsContact SG-O 3.36Å; C41-C58 VanDerWaalsContact CB-SG 3.53Å | ||
| 42 | S | 76 | Confident | 69.2 | Low | 108 Ų | 108 | 74.3 Ų | 74.3 | 76% | 0.755 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -106.4 | -30.3 | 169.2 | -60.8 | 0 | 0 | 0 | 0 | 111 | D46 | S42-D46 PolarHBondContact N-OD2 2.84Š|
| 43 | I | 76.2 | Confident | 71.2 | Confident | 93 Ų | 93 | 69.6 Ų | 69.6 | 48% | 0.477 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -134.3 | 161.8 | -177.8 | 58.7 | 176.2 | 0 | 0 | 0 | 111.9 | S45 D46 | I43-S45 WeakPolarHBondContact CD1-OG 3.5Å; I43-S45 VanDerWaalsContact CG1-OG 3.28Å; I43-S45 WeakPolarHBondContact CG1-OG 3.32Å; I43-S45 PolarHBondContact O-N 3.3Å; I43-S45 VanDerWaalsContact O-N 3.17Å; I43-D46 VanDerWaalsContact CG1-CG 3.43Å; I43-D46 WeakPolarHBondContact CG1-OD1 3.47Å; I43-D46 WeakPolarHBondContact CG1-OD2 3.2Å; I43-D46 PolarHBondContact N-OD2 2.83Å; I43-D46 WeakPolarHBondContact O-CB 3.4Å; I43-D46 PolarHBondContact O-N 3.41Å |
| 44 | Q | 81.3 | Confident | 73.5 | Confident | 52 Ų | 52 | 69.8 Ų | 69.8 | 24% | 0.243 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.6 | -176 | -62.9 | -61.1 | -25.6 | 0 | 0 | 114.2 | C53 V80 K82 | Q44-C53 PolarHBondContact NE2-O 2.62Å; Q44-V80 HydrophobicContact CB-CG1 4.04Å; Q44-V80 HydrophobicContact CG-CG1 3.69Å; Q44-V80 HydrophobicContact CG-CG2 4Å; Q44-K82 PolarHBondContact O-NZ 2.91Å |
| 45 | S | 78.4 | Confident | 75.5 | Confident | 87 Ų | 87 | 69.9 Ų | 69.9 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -15.6 | 175.7 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | I43 C47 | I43-S45 WeakPolarHBondContact CD1-OG 3.5Å; I43-S45 VanDerWaalsContact CG1-OG 3.28Å; I43-S45 WeakPolarHBondContact CG1-OG 3.32Å; I43-S45 PolarHBondContact O-N 3.3Å; I43-S45 VanDerWaalsContact O-N 3.17Å; S45-C47 PolarHBondContact O-N 3.36Å |
| 46 | D | 81.4 | Confident | 77.2 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -26.2 | 177.6 | -58.1 | -19.2 | 0 | 0 | 0 | 111.3 | C41 S42 I43 | C41-D46 HydrophobicContact CB-CB 3.72Å; S42-D46 PolarHBondContact N-OD2 2.84Å; I43-D46 VanDerWaalsContact CG1-CG 3.43Å; I43-D46 WeakPolarHBondContact CG1-OD1 3.47Å; I43-D46 WeakPolarHBondContact CG1-OD2 3.2Å; I43-D46 PolarHBondContact N-OD2 2.83Å; I43-D46 WeakPolarHBondContact O-CB 3.4Å; I43-D46 PolarHBondContact O-N 3.41Å |
| 47 | C | 84.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -83.8 | 120 | 179 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | S45 M51 C53 C58 K82 | S45-C47 PolarHBondContact O-N 3.36Å; C47-M51 HydrophobicContact CB-CB 3.71Å; C47-C53 VanDerWaalsContact SG-CA 3.53Å; C47-C53 VanDerWaalsContact SG-CB 3.59Å; C47-C53 PolarHBondContact SG-N 3.01Å; C47-C53 VanDerWaalsContact SG-N 3.42Å; C47-C58 WeakPolarHBondContact CA-SG 2.99Å; C47-C58 HydrophobicContact CB-CB 3.76Å; C47-C58 WeakPolarHBondContact CB-SG 3.32Å; C47-C58 WeakPolarHBondContact SG-CA 3.41Å; C47-C58 WeakPolarHBondContact SG-CB 3.41Å; C47-C58 CovalentContact SG-SG 2.03Å; C47-C58 PolarHBondContact SG-SG 2.73Å; C47-K82 PolarHBondContact O-NZ 3.43Å |
| 48 | F | 85 | Confident | 81.1 | Confident | 165 Ų | 165 | 58 Ų | 58 | 72% | 0.724 | 36% | 0.358 | S | S | * | . | trans | -73 | 151.4 | -180 | -63.1 | -79.9 | 0 | 0 | 0 | 112.5 | Q50 M51 | F48-Q50 PolarHBondContact O-N 3.38Å; F48-M51 WeakPolarHBondContact O-CB 3.17Å; F48-M51 WeakPolarHBondContact O-CG 2.95Å; F48-M51 PolarHBondContact O-N 2.87Å | ||
| 49 | G | 85.4 | Confident | 82.8 | Confident | 43 Ų | 43 | 57 Ų | 57 | 44% | 0.443 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 52.9 | -133.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M51 K82 F83 | G49-M51 PolarHBondContact O-N 3.15Å; G49-K82 VanDerWaalsContact O-CE 3.25Å; G49-K82 WeakPolarHBondContact O-CE 3.28Å; G49-K82 PolarHBondContact O-NZ 3.11Å; G49-F83 VanDerWaalsContact O-CE2 3.25Å; G49-F83 WeakPolarHBondContact O-CE2 3.15Å |
| 50 | Q | 88 | Confident | 83.9 | Confident | 130 Ų | 130 | 57.2 Ų | 57.2 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -82.8 | 40.1 | -173.8 | -57.7 | -172.2 | 37.9 | 0 | 0 | 113 | F48 A61 W87 | F48-Q50 PolarHBondContact O-N 3.38Å; Q50-A61 PolarHBondContact O-N 3.49Å; Q50-W87 HydrophobicContact CB-CE3 4.44Å; Q50-W87 HydrophobicContact CB-CH2 3.92Å; Q50-W87 HydrophobicContact CB-CZ3 3.57Å; Q50-W87 HydrophobicContact CG-CH2 3.54Å; Q50-W87 HydrophobicContact CG-CZ3 3.75Å |
| 51 | M | 89.7 | Confident | 84.4 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 23% | 0.232 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.2 | -179.3 | -60.4 | 176.8 | 85.9 | 0 | 0 | 111.4 | C47 F48 G49 C58 Y59 K82 | C47-M51 HydrophobicContact CB-CB 3.71Å; F48-M51 WeakPolarHBondContact O-CB 3.17Å; F48-M51 WeakPolarHBondContact O-CG 2.95Å; F48-M51 PolarHBondContact O-N 2.87Å; G49-M51 PolarHBondContact O-N 3.15Å; M51-C58 HydrophobicContact CB-CB 4.38Å; M51-C58 HydrophobicContact CE-CB 3.55Å; M51-C58 WeakPolarHBondContact CE-O 3.3Å; M51-C58 HydrophobicContact SD-CB 4.33Å; M51-Y59 CarbonylContact C-O 3.41Å; M51-Y59 WeakPolarHBondContact CA-O 2.94Å; M51-Y59 WeakPolarHBondContact CB-O 3.29Å; M51-K82 PolarHBondContact O-NZ 2.88Å |
| 52 | V | 87.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.5 | 174.4 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | Y59 A61 V80 W87 P89 F98 | V52-Y59 PolarHBondContact N-O 2.68Å; V52-Y59 PolarHBondContact O-N 3.01Å; V52-A61 HydrophobicContact CB-CB 4.28Å; V52-A61 HydrophobicContact CG1-CB 3.64Å; V52-A61 HydrophobicContact CG2-CB 3.88Å; V52-V80 HydrophobicContact CG1-CB 4.23Å; V52-W87 HydrophobicContact CG1-CB 3.91Å; V52-P89 HydrophobicContact CG2-CG 3.91Å; V52-F98 HydrophobicContact CB-CE2 3.95Å; V52-F98 HydrophobicContact CB-CZ 3.85Å; V52-F98 HydrophobicContact CG1-CZ 4.37Å; V52-F98 HydrophobicContact CG2-CD2 4.34Å; V52-F98 HydrophobicContact CG2-CE2 3.49Å; V52-F98 VanDerWaalsContact CG2-CE2 3.49Å; V52-F98 HydrophobicContact CG2-CZ 3.71Å |
| 53 | C | 85.1 | Confident | 85.6 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 130 | 176.8 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | C41 Q44 C47 | C41-C53 VanDerWaalsContact C-SG 3.55Å; C41-C53 HydrophobicContact CB-CB 3.76Å; C41-C53 WeakPolarHBondContact CB-SG 3.39Å; C41-C53 PolarHBondContact O-SG 3.42Å; C41-C53 WeakPolarHBondContact SG-CA 3.27Å; C41-C53 WeakPolarHBondContact SG-CB 3.3Å; C41-C53 CovalentContact SG-SG 2.02Å; C41-C53 PolarHBondContact SG-SG 3.41Å; Q44-C53 PolarHBondContact NE2-O 2.62Å; C47-C53 VanDerWaalsContact SG-CA 3.53Å; C47-C53 VanDerWaalsContact SG-CB 3.59Å; C47-C53 PolarHBondContact SG-N 3.01Å; C47-C53 VanDerWaalsContact SG-N 3.42Å |
| 54 | H | 83.9 | Confident | 86.2 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 14% | 0.144 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 136.2 | 171.8 | 178 | 69.4 | 0 | 0 | 0 | 110.2 | G56 N57 Y59 Q97 F98 | H54-G56 PolarHBondContact O-N 3.42Å; H54-G56 VanDerWaalsContact O-N 3.11Å; H54-N57 PolarHBondContact N-O 3.43Å; H54-N57 PolarHBondContact O-N 3.37Å; H54-Y59 HydrophobicContact CB-CD2 3.8Å; H54-Y59 HydrophobicContact CB-CE2 3.81Å; H54-Y59 AromaticContact CD2-CE2 3.99Å; H54-Y59 VanDerWaalsContact O-CE2 3.31Å; H54-Y59 WeakPolarHBondContact O-CE2 3.33Å; H54-Q97 PolarHBondContact CE1-O 3.45Å; H54-Q97 VanDerWaalsContact CE1-O 3.27Å; H54-F98 HydrophobicContact CB-CD2 3.59Å; H54-F98 HydrophobicContact CB-CE2 3.77Å; H54-F98 AromaticContact CG-CD2 3.71Å; H54-F98 AromaticContact ND1-CD2 3.74Å |
| 55 | A | 78.3 | Confident | 86.3 | Confident | 78 Ų | 78 | 55.8 Ų | 55.8 | 65% | 0.645 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N57 | A55-N57 VanDerWaalsContact C-N 3.29Å; A55-N57 PolarHBondContact O-N 2.83Å; A55-N57 PolarHBondContact O-ND2 2.93Å |
| 56 | G | 79.7 | Confident | 86.5 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A40 C41 H54 | A40-G56 CarbonylContact C-O 3.53Å; A40-G56 WeakPolarHBondContact CA-O 3.03Å; C41-G56 PolarHBondContact N-O 2.76Å; C41-G56 CarbonylContact O-C 2.94Å; C41-G56 VanDerWaalsContact O-CA 3.28Å; C41-G56 WeakPolarHBondContact O-CA 2.95Å; C41-G56 VanDerWaalsContact SG-C 3.55Å; H54-G56 PolarHBondContact O-N 3.42Å; H54-G56 VanDerWaalsContact O-N 3.11Å |
| 57 | N | 85.7 | Confident | 86.3 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.1 | -167.7 | -69.7 | -61 | 0 | 0 | 0 | 112.1 | V38 C41 H54 A55 Y59 | V38-N57 HydrophobicContact CG1-CB 3.35Å; V38-N57 WeakPolarHBondContact CG1-OD1 3.5Å; C41-N57 PolarHBondContact SG-N 2.9Å; C41-N57 PolarHBondContact SG-O 3.13Å; C41-N57 VanDerWaalsContact SG-O 3.36Å; H54-N57 PolarHBondContact N-O 3.43Å; H54-N57 PolarHBondContact O-N 3.37Å; A55-N57 VanDerWaalsContact C-N 3.29Å; A55-N57 PolarHBondContact O-N 2.83Å; A55-N57 PolarHBondContact O-ND2 2.93Å; N57-Y59 HydrophobicContact CB-CE1 4.35Å; N57-Y59 HydrophobicContact CB-CE2 3.78Å; N57-Y59 WeakPolarHBondContact O-CD2 3.38Å |
| 58 | C | 88.5 | Confident | 86.4 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 127.7 | 174.2 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | S39 C41 C47 M51 | S39-C58 PolarHBondContact O-N 3.23Å; S39-C58 VanDerWaalsContact O-N 3.16Å; S39-C58 PolarHBondContact O-SG 3.32Å; S39-C58 WeakPolarHBondContact OG-CB 3.1Å; S39-C58 PolarHBondContact OG-SG 3.43Å; C41-C58 VanDerWaalsContact CB-SG 3.53Å; C47-C58 WeakPolarHBondContact CA-SG 2.99Å; C47-C58 HydrophobicContact CB-CB 3.76Å; C47-C58 WeakPolarHBondContact CB-SG 3.32Å; C47-C58 WeakPolarHBondContact SG-CA 3.41Å; C47-C58 WeakPolarHBondContact SG-CB 3.41Å; C47-C58 CovalentContact SG-SG 2.03Å; C47-C58 PolarHBondContact SG-SG 2.73Å; M51-C58 HydrophobicContact CB-CB 4.38Å; M51-C58 HydrophobicContact CE-CB 3.55Å; M51-C58 WeakPolarHBondContact CE-O 3.3Å; M51-C58 HydrophobicContact SD-CB 4.33Å |
| 59 | Y | 90.1 | Very high | 86.7 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144 | 176.6 | -59.8 | -72.3 | 0 | 0 | 0 | 111.6 | M51 V52 H54 N57 A61 I94 | M51-Y59 CarbonylContact C-O 3.41Å; M51-Y59 WeakPolarHBondContact CA-O 2.94Å; M51-Y59 WeakPolarHBondContact CB-O 3.29Å; V52-Y59 PolarHBondContact N-O 2.68Å; V52-Y59 PolarHBondContact O-N 3.01Å; H54-Y59 HydrophobicContact CB-CD2 3.8Å; H54-Y59 HydrophobicContact CB-CE2 3.81Å; H54-Y59 AromaticContact CD2-CE2 3.99Å; H54-Y59 VanDerWaalsContact O-CE2 3.31Å; H54-Y59 WeakPolarHBondContact O-CE2 3.33Å; N57-Y59 HydrophobicContact CB-CE1 4.35Å; N57-Y59 HydrophobicContact CB-CE2 3.78Å; N57-Y59 WeakPolarHBondContact O-CD2 3.38Å; Y59-A61 PolarHBondContact O-N 2.7Å; Y59-I94 HydrophobicContact CD1-CD1 3.14Å; Y59-I94 HydrophobicContact CD2-CD1 4.08Å; Y59-I94 HydrophobicContact CD2-CG2 3.88Å; Y59-I94 HydrophobicContact CE1-CD1 3.28Å; Y59-I94 HydrophobicContact CE2-CD1 4.16Å; Y59-I94 HydrophobicContact CE2-CG2 4.11Å; Y59-I94 HydrophobicContact CG-CD1 3.55Å; Y59-I94 HydrophobicContact CG-CG2 4.18Å |
| 60 | A | 91.8 | Very high | 86.8 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 137.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P89 Q90 | A60-P89 WeakPolarHBondContact O-CA 3.34Å; A60-Q90 HydrophobicContact CB-CB 4.34Å; A60-Q90 WeakPolarHBondContact O-CB 3.34Å; A60-Q90 PolarHBondContact O-N 3.38Å |
| 61 | A | 92.1 | Very high | 86.6 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 152.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111 | Q50 V52 Y59 W87 K88 | Q50-A61 PolarHBondContact O-N 3.49Å; V52-A61 HydrophobicContact CB-CB 4.28Å; V52-A61 HydrophobicContact CG1-CB 3.64Å; V52-A61 HydrophobicContact CG2-CB 3.88Å; Y59-A61 PolarHBondContact O-N 2.7Å; A61-W87 HydrophobicContact CB-CB 4.16Å; A61-W87 HydrophobicContact CB-CE3 3.89Å; A61-W87 WeakPolarHBondContact O-CZ3 2.99Å; A61-K88 CarbonylContact C-O 3.51Å; A61-K88 WeakPolarHBondContact CA-O 3.28Å; A61-K88 VanDerWaalsContact CB-O 3.29Å; A61-K88 WeakPolarHBondContact CB-O 2.95Å |
| 62 | I | 92.3 | Very high | 86.2 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 143.4 | 174.8 | 56.9 | 173.8 | 0 | 0 | 0 | 110.1 | W87 K88 Q90 | I62-W87 WeakPolarHBondContact O-CA 3.22Å; I62-K88 HydrophobicContact CG1-CG 3.93Å; I62-K88 PolarHBondContact N-O 3.31Å; I62-K88 PolarHBondContact O-N 2.04Å; I62-Q90 HydrophobicContact CG2-CB 4.1Å; I62-Q90 HydrophobicContact CG2-CG 4.01Å |
| 63 | P | 92.5 | Very high | 85.6 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 142.3 | 175 | 30.8 | -34 | 0 | 0 | 0 | 110.1 | K85 C86 W87 | P63-K85 HydrophobicContact CB-CD 4.18Å; P63-C86 CarbonylContact C-O 3.38Å; P63-C86 WeakPolarHBondContact CA-O 3.03Å; P63-W87 HydrophobicContact CB-CD2 4.44Å; P63-W87 HydrophobicContact CB-CE3 4.49Å; P63-W87 HydrophobicContact CB-CH2 4.39Å; P63-W87 HydrophobicContact CB-CZ2 4.36Å; P63-W87 HydrophobicContact CB-CZ3 4.45Å; P63-W87 HydrophobicContact CG-CH2 4.41Å; P63-W87 HydrophobicContact CG-CZ3 4.42Å |
| 64 | V | 89 | Confident | 85.4 | Confident | 31 Ų | 31 | 59 Ų | 59 | 19% | 0.188 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 117.4 | 170 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | Q79 C86 K88 | V64-Q79 HydrophobicContact CG2-CG 4.01Å; V64-C86 HydrophobicContact CB-CB 4.3Å; V64-C86 PolarHBondContact N-O 3.24Å; V64-K88 HydrophobicContact CG2-CD 4.13Å; V64-K88 HydrophobicContact CG2-CG 4.13Å |
| 65 | F | 83.1 | Confident | 85.4 | Confident | 184 Ų | 184 | 58.2 Ų | 58.2 | 81% | 0.807 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 144 | 178.7 | -64.8 | -76.2 | 0 | 0 | 0 | 111.1 | ||
| 66 | G | 81.3 | Confident | 85.6 | Confident | 89 Ų | 89 | 57.5 Ų | 57.5 | 92% | 0.918 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 88.8 | -11.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 67 | T | 77.2 | Confident | 85.4 | Confident | 54 Ų | 54 | 58 Ų | 58 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.4 | -179.7 | -46.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 68 | S | 88.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 57.9 Ų | 57.9 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 148 | 167.1 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | R84 | S68-R84 WeakPolarHBondContact CA-O 3.36Å |
| 69 | C | 89.9 | Confident | 85.1 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.02 | 36% | 0.357 | C | S | . | . | trans | -135.2 | 147.6 | -179.7 | 67.4 | 0 | 0 | 0 | 0 | 111 | Q74 C75 C81 R84 K85 | C69-Q74 HydrophobicContact CB-CB 3.9Å; C69-C75 VanDerWaalsContact SG-SG 3.68Å; C69-C81 HydrophobicContact CB-CB 3.85Å; C69-C81 WeakPolarHBondContact CB-SG 3.45Å; C69-C81 WeakPolarHBondContact SG-CA 3.41Å; C69-C81 WeakPolarHBondContact SG-CB 3.41Å; C69-C81 CovalentContact SG-SG 2.03Å; C69-C81 PolarHBondContact SG-SG 3.04Å; C69-R84 PolarHBondContact N-O 2.94Å; C69-R84 CarbonylContact O-C 3.43Å; C69-R84 WeakPolarHBondContact O-CA 3.47Å; C69-R84 WeakPolarHBondContact O-CB 3.13Å; C69-K85 PolarHBondContact SG-O 2.77Å | ||
| 70 | T | 88.3 | Confident | 84.9 | Confident | 114 Ų | 114 | 55.9 Ų | 55.9 | 70% | 0.699 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -109.2 | -17.4 | 164.6 | 58.1 | 0 | 0 | 0 | 0 | 111 | Q74 | T70-Q74 PolarHBondContact OG1-OE1 3.46Š|
| 71 | S | 83.8 | Confident | 84.8 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 32% | 0.315 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -145.9 | 162.2 | 177.6 | 67.3 | 0 | 0 | 0 | 0 | 111.3 | S73 Q74 | S71-S73 PolarHBondContact O-N 3.26Å; S71-S73 VanDerWaalsContact O-N 3.11Å; S71-S73 PolarHBondContact OG-OG 2.94Å; S71-Q74 PolarHBondContact O-N 2.03Å; S71-Q74 PolarHBondContact OG-OE1 2.82Å |
| 72 | Q | 81.1 | Confident | 84.6 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -55.8 | -27.1 | 177.1 | -171.8 | 52.2 | 50.9 | 0 | 0 | 113.5 | Q74 C75 Q79 V80 S100 | Q72-Q74 PolarHBondContact O-N 3.28Å; Q72-Q74 VanDerWaalsContact O-N 3.14Å; Q72-C75 PolarHBondContact O-N 2.01Å; Q72-C75 VanDerWaalsContact O-N 3.17Å; Q72-Q79 PolarHBondContact NE2-O 3.37Å; Q72-V80 VanDerWaalsContact OE1-CA 3.3Å; Q72-S100 PolarHBondContact NE2-OG 2.86Å |
| 73 | S | 75.1 | Confident | 84.4 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -54.8 | -29.1 | 177.8 | -22.7 | 0 | 0 | 0 | 0 | 114.9 | S71 C75 R113 | S71-S73 PolarHBondContact O-N 3.26Å; S71-S73 VanDerWaalsContact O-N 3.11Å; S71-S73 PolarHBondContact OG-OG 2.94Å; S73-C75 VanDerWaalsContact C-N 3.34Å; S73-R113 PolarHBondContact OG-NH1 2.77Å |
| 74 | Q | 82.1 | Confident | 84.4 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 43% | 0.425 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -91.3 | -5.4 | -172.3 | -67.9 | 164.1 | -79.1 | 0 | 0 | 112.2 | C69 T70 S71 Q72 | C69-Q74 HydrophobicContact CB-CB 3.9Å; T70-Q74 PolarHBondContact OG1-OE1 3.46Å; S71-Q74 PolarHBondContact O-N 2.03Å; S71-Q74 PolarHBondContact OG-OE1 2.82Å; Q72-Q74 PolarHBondContact O-N 3.28Å; Q72-Q74 VanDerWaalsContact O-N 3.14Å |
| 75 | C | 83.5 | Confident | 84.5 | Confident | 14 Ų | 14 | 70 Ų | 70 | 10% | 0.095 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -104.5 | 150.7 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | C69 Q72 S73 Q79 C86 | C69-C75 VanDerWaalsContact SG-SG 3.68Å; Q72-C75 PolarHBondContact O-N 2.01Å; Q72-C75 VanDerWaalsContact O-N 3.17Å; S73-C75 VanDerWaalsContact C-N 3.34Å; C75-Q79 HydrophobicContact CB-CB 3.82Å; C75-C86 WeakPolarHBondContact CA-SG 3.23Å; C75-C86 HydrophobicContact CB-CB 3.79Å; C75-C86 WeakPolarHBondContact CB-SG 3.01Å; C75-C86 WeakPolarHBondContact SG-CA 3.45Å; C75-C86 WeakPolarHBondContact SG-CB 3.44Å; C75-C86 CovalentContact SG-SG 2.04Å; C75-C86 PolarHBondContact SG-SG 3.4Å |
| 76 | S | 82.6 | Confident | 84.9 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 44% | 0.441 | 35% | 0.35 | S | S | . | . | trans | -61.4 | 159 | 172.3 | -51 | 0 | 0 | 0 | 0 | 110.6 | S78 Q79 | S76-S78 PolarHBondContact O-N 3.05Å; S76-Q79 VanDerWaalsContact N-OE1 3.15Å; S76-Q79 WeakPolarHBondContact O-CB 3.34Å; S76-Q79 PolarHBondContact O-N 3.03Å; S76-Q79 VanDerWaalsContact O-O 3.13Å; S76-Q79 PolarHBondContact OG-NE2 3.25Å | ||
| 77 | Q | 74.7 | Confident | 85.4 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -24.4 | 177.1 | -67.2 | 179.7 | 1.9 | 0 | 0 | 113.2 | Q79 T99 S100 V101 T125 | Q77-Q79 VanDerWaalsContact C-N 3.35Å; Q77-T99 CarbonylContact O-C 3.44Å; Q77-T99 WeakPolarHBondContact O-CA 3.44Å; Q77-S100 VanDerWaalsContact C-OG 3.32Å; Q77-S100 WeakPolarHBondContact O-CB 3.31Å; Q77-S100 PolarHBondContact O-N 3.01Å; Q77-S100 PolarHBondContact O-OG 3.36Å; Q77-V101 HydrophobicContact CB-CG2 4.03Å; Q77-V101 HydrophobicContact CG-CG2 4.16Å; Q77-T125 VanDerWaalsContact NE2-N 3.13Å; Q77-T125 PolarHBondContact NE2-OG1 2.93Å |
| 78 | S | 79.9 | Confident | 86 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 20 | 175.7 | 58.3 | 0 | 0 | 0 | 0 | 115 | S76 F98 | S76-S78 PolarHBondContact O-N 3.05Å; S78-F98 VanDerWaalsContact C-CD1 3.49Å; S78-F98 VanDerWaalsContact CA-O 3.28Å; S78-F98 WeakPolarHBondContact CA-O 3.3Å; S78-F98 WeakPolarHBondContact CB-O 3.47Å; S78-F98 VanDerWaalsContact O-CD1 3.23Å; S78-F98 WeakPolarHBondContact O-CD1 3.03Å |
| 79 | Q | 87.5 | Confident | 86.1 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 9% | 0.093 | 28% | 0.282 | C | S | . | . | trans | -143.6 | 139.8 | -175.1 | -62.7 | 166 | 11.2 | 0 | 0 | 111 | V64 Q72 C75 S76 Q77 C86 W87 K88 S100 | V64-Q79 HydrophobicContact CG2-CG 4.01Å; Q72-Q79 PolarHBondContact NE2-O 3.37Å; C75-Q79 HydrophobicContact CB-CB 3.82Å; S76-Q79 VanDerWaalsContact N-OE1 3.15Å; S76-Q79 WeakPolarHBondContact O-CB 3.34Å; S76-Q79 PolarHBondContact O-N 3.03Å; S76-Q79 VanDerWaalsContact O-O 3.13Å; S76-Q79 PolarHBondContact OG-NE2 3.25Å; Q77-Q79 VanDerWaalsContact C-N 3.35Å; Q79-C86 HydrophobicContact CB-CB 4.11Å; Q79-C86 VanDerWaalsContact OE1-CB 3.27Å; Q79-W87 CarbonylContact C-O 3.42Å; Q79-W87 WeakPolarHBondContact CA-O 3.31Å; Q79-K88 HydrophobicContact CG-CB 4.36Å; Q79-S100 WeakPolarHBondContact O-CB 3.28Å; Q79-S100 PolarHBondContact O-OG 3.22Å | ||
| 80 | V | 86.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.7 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | Q44 V52 Q72 K82 C86 W87 F98 S100 | Q44-V80 HydrophobicContact CB-CG1 4.04Å; Q44-V80 HydrophobicContact CG-CG1 3.69Å; Q44-V80 HydrophobicContact CG-CG2 4Å; V52-V80 HydrophobicContact CG1-CB 4.23Å; Q72-V80 VanDerWaalsContact OE1-CA 3.3Å; V80-K82 HydrophobicContact CG1-CB 4.49Å; V80-K82 PolarHBondContact O-N 3.37Å; V80-C86 CarbonylContact O-C 3.34Å; V80-C86 WeakPolarHBondContact O-CA 3.17Å; V80-W87 PolarHBondContact N-O 3.12Å; V80-W87 PolarHBondContact O-N 2.74Å; V80-F98 HydrophobicContact CG2-CE1 3.88Å; V80-F98 HydrophobicContact CG2-CZ 3.52Å; V80-S100 VanDerWaalsContact CG2-CB 3.4Å |
| 81 | C | 88.7 | Confident | 86.1 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 111.5 | 169.9 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | C69 | C69-C81 HydrophobicContact CB-CB 3.85Å; C69-C81 WeakPolarHBondContact CB-SG 3.45Å; C69-C81 WeakPolarHBondContact SG-CA 3.41Å; C69-C81 WeakPolarHBondContact SG-CB 3.41Å; C69-C81 CovalentContact SG-SG 2.03Å; C69-C81 PolarHBondContact SG-SG 3.04Å |
| 82 | K | 88.5 | Confident | 86.1 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 139.4 | 178.8 | -168.7 | 174.2 | -179.3 | 162 | 0 | 110.1 | Q44 C47 G49 M51 V80 R84 K85 W87 | Q44-K82 PolarHBondContact O-NZ 2.91Å; C47-K82 PolarHBondContact O-NZ 3.43Å; G49-K82 VanDerWaalsContact O-CE 3.25Å; G49-K82 WeakPolarHBondContact O-CE 3.28Å; G49-K82 PolarHBondContact O-NZ 3.11Å; M51-K82 PolarHBondContact O-NZ 2.88Å; V80-K82 HydrophobicContact CG1-CB 4.49Å; V80-K82 PolarHBondContact O-N 3.37Å; K82-R84 PolarHBondContact O-N 3.29Å; K82-R84 VanDerWaalsContact O-N 3.11Å; K82-K85 PolarHBondContact N-O 3.42Å; K82-K85 PolarHBondContact O-N 2.8Å; K82-W87 HydrophobicContact CB-CG 4.34Å; K82-W87 VanDerWaalsContact O-CD1 3.24Å; K82-W87 PolarHBondContact O-NE1 2.57Å |
| 83 | F | 88.8 | Confident | 86.1 | Confident | 130 Ų | 130 | 66 Ų | 66 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 37.8 | -175.5 | -47.9 | -58.3 | 0 | 0 | 0 | 114.2 | G49 K85 W87 | G49-F83 VanDerWaalsContact O-CE2 3.25Å; G49-F83 WeakPolarHBondContact O-CE2 3.15Å; F83-K85 PolarHBondContact O-N 3.38Å; F83-K85 VanDerWaalsContact O-N 3.16Å; F83-W87 AromaticContact CD2-CZ2 3.87Å; F83-W87 HydrophobicContact CD2-CZ2 3.87Å |
| 84 | R | 91.3 | Very high | 86.5 | Confident | 188 Ų | 188 | 64.2 Ų | 64.2 | 71% | 0.709 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 18.7 | -174.8 | -58.3 | -162 | -179.1 | -175.5 | 2.1 | 116.6 | S68 C69 K82 | S68-R84 WeakPolarHBondContact CA-O 3.36Å; C69-R84 PolarHBondContact N-O 2.94Å; C69-R84 CarbonylContact O-C 3.43Å; C69-R84 WeakPolarHBondContact O-CA 3.47Å; C69-R84 WeakPolarHBondContact O-CB 3.13Å; K82-R84 PolarHBondContact O-N 3.29Å; K82-R84 VanDerWaalsContact O-N 3.11Å |
| 85 | K | 91.7 | Very high | 86.6 | Confident | 101 Ų | 101 | 61 Ų | 61 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 154.9 | 173.1 | -64.6 | -169.8 | 176.4 | -171.3 | 0 | 109.8 | P63 C69 K82 F83 | P63-K85 HydrophobicContact CB-CD 4.18Å; C69-K85 PolarHBondContact SG-O 2.77Å; K82-K85 PolarHBondContact N-O 3.42Å; K82-K85 PolarHBondContact O-N 2.8Å; F83-K85 PolarHBondContact O-N 3.38Å; F83-K85 VanDerWaalsContact O-N 3.16Å |
| 86 | C | 91 | Very high | 86.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 131.2 | 170.7 | -61.8 | 0 | 0 | 0 | 0 | 109.3 | P63 V64 C75 Q79 V80 | P63-C86 CarbonylContact C-O 3.38Å; P63-C86 WeakPolarHBondContact CA-O 3.03Å; V64-C86 HydrophobicContact CB-CB 4.3Å; V64-C86 PolarHBondContact N-O 3.24Å; C75-C86 WeakPolarHBondContact CA-SG 3.23Å; C75-C86 HydrophobicContact CB-CB 3.79Å; C75-C86 WeakPolarHBondContact CB-SG 3.01Å; C75-C86 WeakPolarHBondContact SG-CA 3.45Å; C75-C86 WeakPolarHBondContact SG-CB 3.44Å; C75-C86 CovalentContact SG-SG 2.04Å; C75-C86 PolarHBondContact SG-SG 3.4Å; Q79-C86 HydrophobicContact CB-CB 4.11Å; Q79-C86 VanDerWaalsContact OE1-CB 3.27Å; V80-C86 CarbonylContact O-C 3.34Å; V80-C86 WeakPolarHBondContact O-CA 3.17Å |
| 87 | W | 92.2 | Very high | 85.8 | Confident | 17 Ų | 17 | 67 Ų | 67 | 6% | 0.064 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.2 | -177.6 | -67.6 | 76.9 | 0 | 0 | 0 | 110.4 | Q50 V52 A61 I62 P63 Q79 V80 K82 F83 | Q50-W87 HydrophobicContact CB-CE3 4.44Å; Q50-W87 HydrophobicContact CB-CH2 3.92Å; Q50-W87 HydrophobicContact CB-CZ3 3.57Å; Q50-W87 HydrophobicContact CG-CH2 3.54Å; Q50-W87 HydrophobicContact CG-CZ3 3.75Å; V52-W87 HydrophobicContact CG1-CB 3.91Å; A61-W87 HydrophobicContact CB-CB 4.16Å; A61-W87 HydrophobicContact CB-CE3 3.89Å; A61-W87 WeakPolarHBondContact O-CZ3 2.99Å; I62-W87 WeakPolarHBondContact O-CA 3.22Å; P63-W87 HydrophobicContact CB-CD2 4.44Å; P63-W87 HydrophobicContact CB-CE3 4.49Å; P63-W87 HydrophobicContact CB-CH2 4.39Å; P63-W87 HydrophobicContact CB-CZ2 4.36Å; P63-W87 HydrophobicContact CB-CZ3 4.45Å; P63-W87 HydrophobicContact CG-CH2 4.41Å; P63-W87 HydrophobicContact CG-CZ3 4.42Å; Q79-W87 CarbonylContact C-O 3.42Å; Q79-W87 WeakPolarHBondContact CA-O 3.31Å; V80-W87 PolarHBondContact N-O 3.12Å; V80-W87 PolarHBondContact O-N 2.74Å; K82-W87 HydrophobicContact CB-CG 4.34Å; K82-W87 VanDerWaalsContact O-CD1 3.24Å; K82-W87 PolarHBondContact O-NE1 2.57Å; F83-W87 AromaticContact CD2-CZ2 3.87Å; F83-W87 HydrophobicContact CD2-CZ2 3.87Å |
| 88 | K | 91 | Very high | 85.9 | Confident | 86 Ų | 86 | 65 Ų | 65 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 152.7 | 171.3 | 63.3 | 179.6 | -176.2 | 176.8 | 0 | 109.8 | A61 I62 V64 Q79 Q90 | A61-K88 CarbonylContact C-O 3.51Å; A61-K88 WeakPolarHBondContact CA-O 3.28Å; A61-K88 VanDerWaalsContact CB-O 3.29Å; A61-K88 WeakPolarHBondContact CB-O 2.95Å; I62-K88 HydrophobicContact CG1-CG 3.93Å; I62-K88 PolarHBondContact N-O 3.31Å; I62-K88 PolarHBondContact O-N 2.04Å; V64-K88 HydrophobicContact CG2-CD 4.13Å; V64-K88 HydrophobicContact CG2-CG 4.13Å; Q79-K88 HydrophobicContact CG-CB 4.36Å; K88-Q90 PolarHBondContact O-N 3.11Å |
| 89 | P | 90.5 | Very high | 85.3 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.019 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 142.5 | 174.6 | -25.3 | 33.8 | 0 | 0 | 0 | 111.8 | V52 A60 I94 A95 F98 | V52-P89 HydrophobicContact CG2-CG 3.91Å; A60-P89 WeakPolarHBondContact O-CA 3.34Å; P89-I94 HydrophobicContact CB-CB 3.99Å; P89-I94 HydrophobicContact CB-CG2 3.81Å; P89-I94 HydrophobicContact CG-CB 4.47Å; P89-I94 HydrophobicContact CG-CG2 3.85Å; P89-A95 HydrophobicContact CB-CB 4.17Å; P89-A95 HydrophobicContact CG-CB 4.49Å; P89-F98 VanDerWaalsContact CD-CG 3.46Å; P89-F98 HydrophobicContact CG-CB 3.64Å; P89-F98 HydrophobicContact CG-CD1 4.03Å; P89-F98 HydrophobicContact CG-CD2 3.28Å; P89-F98 HydrophobicContact CG-CE1 4.48Å; P89-F98 HydrophobicContact CG-CE2 3.84Å; P89-F98 HydrophobicContact CG-CG 3.38Å; P89-F98 HydrophobicContact CG-CZ 4.39Å |
| 90 | Q | 90.8 | Very high | 84.1 | Confident | 120 Ų | 120 | 65.3 Ų | 65.3 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -72.6 | -39.7 | 177.3 | -176.8 | 179 | -2.5 | 0 | 0 | 111.1 | A60 I62 K88 P92 | A60-Q90 HydrophobicContact CB-CB 4.34Å; A60-Q90 WeakPolarHBondContact O-CB 3.34Å; A60-Q90 PolarHBondContact O-N 3.38Å; I62-Q90 HydrophobicContact CG2-CB 4.1Å; I62-Q90 HydrophobicContact CG2-CG 4.01Å; K88-Q90 PolarHBondContact O-N 3.11Å; Q90-P92 VanDerWaalsContact O-CD 3.3Å; Q90-P92 WeakPolarHBondContact O-CD 3.39Å |
| 91 | D | 86.9 | Confident | 82.6 | Confident | 74 Ų | 74 | 67 Ų | 67 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -68.1 | 119.1 | 176.2 | -172.1 | -38.1 | 0 | 0 | 0 | 109.6 | K93 I94 A95 | D91-K93 PolarHBondContact O-N 3.32Å; D91-K93 VanDerWaalsContact OD1-CB 3.28Å; D91-K93 WeakPolarHBondContact OD1-CB 3.41Å; D91-K93 PolarHBondContact OD1-N 3.4Å; D91-I94 HydrophobicContact CB-CB 4.19Å; D91-I94 HydrophobicContact CB-CD1 3.88Å; D91-I94 HydrophobicContact CB-CG1 3.85Å; D91-I94 PolarHBondContact O-N 2.87Å; D91-I94 VanDerWaalsContact O-N 3.16Å; D91-A95 WeakPolarHBondContact O-CB 3.46Å; D91-A95 PolarHBondContact O-N 2.02Å |
| 92 | P | 83.3 | Confident | 81 | Confident | 104 Ų | 104 | 73 Ų | 73 | 68% | 0.675 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.5 | -32.3 | 179.5 | -25 | 34.9 | 0 | 0 | 0 | 114.2 | Q90 A96 | Q90-P92 VanDerWaalsContact O-CD 3.3Å; Q90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-A96 WeakPolarHBondContact O-CB 3.37Å; P92-A96 PolarHBondContact O-N 2.95Å; P92-A96 VanDerWaalsContact O-N 3.08Å |
| 93 | K | 82.3 | Confident | 79.7 | Confident | 153 Ų | 153 | 73.1 Ų | 73.1 | 67% | 0.665 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67 | -43 | 178.9 | -62.3 | -179.7 | 178.3 | -179.4 | 0 | 110.9 | D91 | D91-K93 PolarHBondContact O-N 3.32Å; D91-K93 VanDerWaalsContact OD1-CB 3.28Å; D91-K93 WeakPolarHBondContact OD1-CB 3.41Å; D91-K93 PolarHBondContact OD1-N 3.4Å |
| 94 | I | 82.9 | Confident | 78.8 | Confident | 26 Ų | 26 | 74.3 Ų | 74.3 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.2 | -45.9 | 177.9 | -54.2 | -177 | 0 | 0 | 0 | 109.2 | Y59 P89 D91 A96 Q97 F98 | Y59-I94 HydrophobicContact CD1-CD1 3.14Å; Y59-I94 HydrophobicContact CD2-CD1 4.08Å; Y59-I94 HydrophobicContact CD2-CG2 3.88Å; Y59-I94 HydrophobicContact CE1-CD1 3.28Å; Y59-I94 HydrophobicContact CE2-CD1 4.16Å; Y59-I94 HydrophobicContact CE2-CG2 4.11Å; Y59-I94 HydrophobicContact CG-CD1 3.55Å; Y59-I94 HydrophobicContact CG-CG2 4.18Å; P89-I94 HydrophobicContact CB-CB 3.99Å; P89-I94 HydrophobicContact CB-CG2 3.81Å; P89-I94 HydrophobicContact CG-CB 4.47Å; P89-I94 HydrophobicContact CG-CG2 3.85Å; D91-I94 HydrophobicContact CB-CB 4.19Å; D91-I94 HydrophobicContact CB-CD1 3.88Å; D91-I94 HydrophobicContact CB-CG1 3.85Å; D91-I94 PolarHBondContact O-N 2.87Å; D91-I94 VanDerWaalsContact O-N 3.16Å; I94-A96 PolarHBondContact O-N 3.36Å; I94-Q97 CarbonylContact O-C 3.6Å; I94-Q97 PolarHBondContact O-N 3.47Å; I94-F98 VanDerWaalsContact O-CB 3.23Å; I94-F98 WeakPolarHBondContact O-CB 3.01Å; I94-F98 PolarHBondContact O-N 3.48Å |
| 95 | A | 83.1 | Confident | 78.4 | Confident | 25 Ų | 25 | 70 Ų | 70 | 21% | 0.207 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57 | -33.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P89 D91 Q97 | P89-A95 HydrophobicContact CB-CB 4.17Å; P89-A95 HydrophobicContact CG-CB 4.49Å; D91-A95 WeakPolarHBondContact O-CB 3.46Å; D91-A95 PolarHBondContact O-N 2.02Å; A95-Q97 VanDerWaalsContact C-N 3.32Å |
| 96 | A | 76.2 | Confident | 78.1 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.9 | -27.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P92 I94 | P92-A96 WeakPolarHBondContact O-CB 3.37Å; P92-A96 PolarHBondContact O-N 2.95Å; P92-A96 VanDerWaalsContact O-N 3.08Å; I94-A96 PolarHBondContact O-N 3.36Å |
| 97 | Q | 73.9 | Confident | 78.1 | Confident | 129 Ų | 129 | 71.4 Ų | 71.4 | 60% | 0.603 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -103.2 | -6.2 | 179.4 | -59.4 | 179.4 | 8.9 | 0 | 0 | 112.3 | H54 I94 A95 T99 | H54-Q97 PolarHBondContact CE1-O 3.45Å; H54-Q97 VanDerWaalsContact CE1-O 3.27Å; I94-Q97 CarbonylContact O-C 3.6Å; I94-Q97 PolarHBondContact O-N 3.47Å; A95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-T99 PolarHBondContact O-N 3.16Å |
| 98 | F | 75.9 | Confident | 78.1 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.018 | 40% | 0.403 | C | S | . | . | trans | -74.7 | 116.9 | -173.1 | -176.4 | -96.7 | 0 | 0 | 0 | 111.1 | V52 H54 S78 V80 P89 I94 | V52-F98 HydrophobicContact CB-CE2 3.95Å; V52-F98 HydrophobicContact CB-CZ 3.85Å; V52-F98 HydrophobicContact CG1-CZ 4.37Å; V52-F98 HydrophobicContact CG2-CD2 4.34Å; V52-F98 HydrophobicContact CG2-CE2 3.49Å; V52-F98 VanDerWaalsContact CG2-CE2 3.49Å; V52-F98 HydrophobicContact CG2-CZ 3.71Å; H54-F98 HydrophobicContact CB-CD2 3.59Å; H54-F98 HydrophobicContact CB-CE2 3.77Å; H54-F98 AromaticContact CG-CD2 3.71Å; H54-F98 AromaticContact ND1-CD2 3.74Å; S78-F98 VanDerWaalsContact C-CD1 3.49Å; S78-F98 VanDerWaalsContact CA-O 3.28Å; S78-F98 WeakPolarHBondContact CA-O 3.3Å; S78-F98 WeakPolarHBondContact CB-O 3.47Å; S78-F98 VanDerWaalsContact O-CD1 3.23Å; S78-F98 WeakPolarHBondContact O-CD1 3.03Å; V80-F98 HydrophobicContact CG2-CE1 3.88Å; V80-F98 HydrophobicContact CG2-CZ 3.52Å; P89-F98 VanDerWaalsContact CD-CG 3.46Å; P89-F98 HydrophobicContact CG-CB 3.64Å; P89-F98 HydrophobicContact CG-CD1 4.03Å; P89-F98 HydrophobicContact CG-CD2 3.28Å; P89-F98 HydrophobicContact CG-CE1 4.48Å; P89-F98 HydrophobicContact CG-CE2 3.84Å; P89-F98 HydrophobicContact CG-CG 3.38Å; P89-F98 HydrophobicContact CG-CZ 4.39Å; I94-F98 VanDerWaalsContact O-CB 3.23Å; I94-F98 WeakPolarHBondContact O-CB 3.01Å; I94-F98 PolarHBondContact O-N 3.48Å | ||
| 99 | T | 68.4 | Low | 78.1 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 40% | 0.399 | 39% | 0.392 | S | S | . | . | trans | -114.4 | 109.6 | 167.9 | 60.2 | 0 | 0 | 0 | 0 | 108.5 | Q77 Q97 V101 | Q77-T99 CarbonylContact O-C 3.44Å; Q77-T99 WeakPolarHBondContact O-CA 3.44Å; Q97-T99 PolarHBondContact O-N 3.16Å; T99-V101 PolarHBondContact O-N 2.73Å | ||
| 100 | S | 61.4 | Low | 78 | Confident | 12 Ų | 12 | 74.9 Ų | 74.9 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | trans | -62.8 | -18.9 | 174 | 65.5 | 0 | 0 | 0 | 0 | 113.9 | Q72 Q77 Q79 V80 N102 | Q72-S100 PolarHBondContact NE2-OG 2.86Å; Q77-S100 VanDerWaalsContact C-OG 3.32Å; Q77-S100 WeakPolarHBondContact O-CB 3.31Å; Q77-S100 PolarHBondContact O-N 3.01Å; Q77-S100 PolarHBondContact O-OG 3.36Å; Q79-S100 WeakPolarHBondContact O-CB 3.28Å; Q79-S100 PolarHBondContact O-OG 3.22Å; V80-S100 VanDerWaalsContact CG2-CB 3.4Å; S100-N102 PolarHBondContact O-N 3.41Å | ||
| 101 | V | 55.8 | Low | 77.8 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 24% | 0.242 | 41% | 0.405 | C | S | . | . | trans | -89.1 | 109.2 | -175.7 | -88.1 | 0 | 0 | 0 | 0 | 109 | Q77 T99 L103 | Q77-V101 HydrophobicContact CB-CG2 4.03Å; Q77-V101 HydrophobicContact CG-CG2 4.16Å; T99-V101 PolarHBondContact O-N 2.73Å; V101-L103 HydrophobicContact CB-CD2 4.11Å; V101-L103 HydrophobicContact CB-CG 4.09Å; V101-L103 HydrophobicContact CG2-CD2 3.77Å; V101-L103 HydrophobicContact CG2-CG 3.95Å; V101-L103 PolarHBondContact O-N 2.03Å | ||
| 102 | N | 54.7 | Low | 77.6 | Confident | 157 Ų | 157 | 68.8 Ų | 68.8 | 84% | 0.84 | 39% | 0.389 | S | S | * | . | trans | -58 | 91.8 | 133.4 | -92.9 | -53.6 | 0 | 0 | 0 | 105.5 | S100 R104 | S100-N102 PolarHBondContact O-N 3.41Å; N102-R104 PolarHBondContact O-N 3.22Å; N102-R104 VanDerWaalsContact O-N 3.15Å | ||
| 103 | L | 61.6 | Low | 77.4 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 124.3 | -179.1 | -70.1 | 153.6 | 0 | 0 | 0 | 107 | V101 S105 K122 C123 Y124 | V101-L103 HydrophobicContact CB-CD2 4.11Å; V101-L103 HydrophobicContact CB-CG 4.09Å; V101-L103 HydrophobicContact CG2-CD2 3.77Å; V101-L103 HydrophobicContact CG2-CG 3.95Å; V101-L103 PolarHBondContact O-N 2.03Å; L103-S105 PolarHBondContact O-N 2.96Å; L103-S105 VanDerWaalsContact O-N 3.16Å; L103-K122 HydrophobicContact CB-CB 3.78Å; L103-K122 HydrophobicContact CB-CD 4.04Å; L103-K122 HydrophobicContact CB-CG 3.99Å; L103-K122 HydrophobicContact CD1-CB 4.22Å; L103-K122 HydrophobicContact CD1-CD 3.85Å; L103-C123 WeakPolarHBondContact CD2-O 2.98Å; L103-Y124 HydrophobicContact CD1-CD1 4.43Å; L103-Y124 HydrophobicContact CD1-CE1 3.79Å; L103-Y124 HydrophobicContact CD1-CE2 4.5Å; L103-Y124 HydrophobicContact CD2-CD1 4.26Å; L103-Y124 HydrophobicContact CD2-CE1 4.42Å |
| 104 | R | 70 | Confident | 77.4 | Confident | 156 Ų | 156 | 72.7 Ų | 72.7 | 59% | 0.589 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 126.1 | -179.6 | 172.3 | 177.6 | -109.9 | -127.7 | -4.6 | 108.1 | N102 N111 K122 C123 | N102-R104 PolarHBondContact O-N 3.22Å; N102-R104 VanDerWaalsContact O-N 3.15Å; R104-N111 WeakPolarHBondContact CD-O 3.28Å; R104-N111 PolarHBondContact NH1-O 2.78Å; R104-K122 WeakPolarHBondContact O-CA 3.37Å; R104-C123 HydrophobicContact CB-CB 4.25Å; R104-C123 PolarHBondContact O-N 2.94Å; R104-C123 PolarHBondContact O-SG 3.26Å |
| 105 | S | 82 | Confident | 77.4 | Confident | 98 Ų | 98 | 76 Ų | 76 | 69% | 0.685 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -64.2 | 140 | 174 | -57.3 | 0 | 0 | 0 | 0 | 110 | L103 S121 | L103-S105 PolarHBondContact O-N 2.96Å; L103-S105 VanDerWaalsContact O-N 3.16Å; S105-S121 CarbonylContact C-O 3.48Å; S105-S121 WeakPolarHBondContact CA-O 3.37Å |
| 106 | C | 86.9 | Confident | 77.4 | Confident | 5 Ų | 5 | 76.7 Ų | 76.7 | 3% | 0.034 | 40% | 0.4 | C | S | . | . | trans | -140.6 | 152.9 | 179.4 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | N111 C118 S121 K122 C123 | C106-N111 HydrophobicContact CB-CB 3.78Å; C106-C118 HydrophobicContact CB-CB 3.81Å; C106-C118 WeakPolarHBondContact CB-SG 3.15Å; C106-C118 WeakPolarHBondContact SG-CA 3.01Å; C106-C118 WeakPolarHBondContact SG-CB 3.46Å; C106-C118 CovalentContact SG-SG 2.02Å; C106-C118 PolarHBondContact SG-SG 3.06Å; C106-S121 PolarHBondContact N-O 3.42Å; C106-S121 CarbonylContact O-C 3.43Å; C106-S121 WeakPolarHBondContact O-CA 3.28Å; C106-S121 WeakPolarHBondContact O-CB 3.1Å; C106-K122 PolarHBondContact SG-N 2.67Å; C106-C123 VanDerWaalsContact CB-SG 3.56Å | ||
| 107 | T | 91 | Very high | 77.9 | Confident | 125 Ų | 125 | 73.2 Ų | 73.2 | 77% | 0.767 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -109.2 | -26.4 | 166.2 | 54.4 | 0 | 0 | 0 | 0 | 110.7 | N111 | T107-N111 PolarHBondContact N-OD1 3.32Å; T107-N111 PolarHBondContact OG1-OD1 3.03Å |
| 108 | T | 91.6 | Very high | 78.5 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -137.2 | 161.4 | 177.4 | 66.6 | 0 | 0 | 0 | 0 | 111 | S110 N111 | T108-S110 PolarHBondContact O-N 3.35Å; T108-N111 PolarHBondContact N-OD1 3.06Å; T108-N111 WeakPolarHBondContact O-CB 2.91Å; T108-N111 PolarHBondContact O-N 2.02Å; T108-N111 PolarHBondContact O-OD1 3.29Å |
| 109 | H | 90.1 | Very high | 78.9 | Confident | 33 Ų | 33 | 68 Ų | 68 | 15% | 0.153 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -56.7 | -31.3 | 176.4 | -56.8 | -66.4 | 0 | 0 | 0 | 112.6 | N111 C112 C118 E143 A144 | H109-N111 PolarHBondContact O-N 2.95Å; H109-C112 WeakPolarHBondContact O-CB 3.37Å; H109-C112 PolarHBondContact O-N 3.07Å; H109-C118 PolarHBondContact CE1-O 2.85Å; H109-C118 VanDerWaalsContact CE1-O 3.23Å; H109-C118 PolarHBondContact ND1-N 2.93Å; H109-E143 PolarHBondContact CE1-O 3.49Å; H109-E143 VanDerWaalsContact CE1-O 3.3Å; H109-E143 PolarHBondContact NE2-O 2.02Å; H109-A144 HydrophobicContact CB-CB 3.67Å |
| 110 | S | 88.4 | Confident | 79.4 | Confident | 77 Ų | 77 | 71 Ų | 71 | 54% | 0.538 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -68.4 | -13.9 | 178.8 | -42.9 | 0 | 0 | 0 | 0 | 114.2 | T108 C112 H136 | T108-S110 PolarHBondContact O-N 3.35Å; S110-C112 VanDerWaalsContact C-N 3.3Å; S110-H136 PolarHBondContact OG-NE2 3.27Å |
| 111 | N | 87.5 | Confident | 80.5 | Confident | 57 Ų | 57 | 74 Ų | 74 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -78.5 | -19.8 | 172.3 | -55.4 | 145.1 | 0 | 0 | 0 | 112.7 | R104 C106 T107 T108 H109 | R104-N111 WeakPolarHBondContact CD-O 3.28Å; R104-N111 PolarHBondContact NH1-O 2.78Å; C106-N111 HydrophobicContact CB-CB 3.78Å; T107-N111 PolarHBondContact N-OD1 3.32Å; T107-N111 PolarHBondContact OG1-OD1 3.03Å; T108-N111 PolarHBondContact N-OD1 3.06Å; T108-N111 WeakPolarHBondContact O-CB 2.91Å; T108-N111 PolarHBondContact O-N 2.02Å; T108-N111 PolarHBondContact O-OD1 3.29Å; H109-N111 PolarHBondContact O-N 2.95Å |
| 112 | C | 82.3 | Confident | 81.6 | Confident | 10 Ų | 10 | 76.8 Ų | 76.8 | 7% | 0.068 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -84.1 | 161.7 | 179.4 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | H109 S110 E116 C123 | H109-C112 WeakPolarHBondContact O-CB 3.37Å; H109-C112 PolarHBondContact O-N 3.07Å; S110-C112 VanDerWaalsContact C-N 3.3Å; C112-E116 HydrophobicContact CB-CB 3.6Å; C112-C123 WeakPolarHBondContact CA-SG 3Å; C112-C123 HydrophobicContact CB-CB 3.64Å; C112-C123 WeakPolarHBondContact CB-SG 3.25Å; C112-C123 WeakPolarHBondContact SG-CA 2.94Å; C112-C123 WeakPolarHBondContact SG-CB 3.27Å; C112-C123 CovalentContact SG-SG 2.04Å; C112-C123 PolarHBondContact SG-SG 2.78Å |
| 113 | R | 80.2 | Confident | 82.9 | Confident | 132 Ų | 132 | 69.5 Ų | 69.5 | 50% | 0.498 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 166.2 | 175.6 | -59.7 | 173.4 | 172.1 | -166.2 | -5.8 | 109.2 | S73 Q115 E116 | S73-R113 PolarHBondContact OG-NH1 2.77Å; R113-Q115 PolarHBondContact O-N 2.89Å; R113-E116 HydrophobicContact CB-CG 4.23Å; R113-E116 WeakPolarHBondContact CB-OE2 3.31Å; R113-E116 PolarHBondContact N-OE2 3.45Å; R113-E116 WeakPolarHBondContact O-CB 3.28Å; R113-E116 PolarHBondContact O-N 2.86Å |
| 114 | R | 81.3 | Confident | 83.6 | Confident | 206 Ų | 206 | 69.2 Ų | 69.2 | 78% | 0.777 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 140.7 | 172.4 | -69.4 | -171.6 | 177.3 | -176.2 | -0.8 | 109.3 | E116 W146 | R114-E116 PolarHBondContact O-N 3.42Å; R114-W146 HydrophobicContact CG-CE3 4.4Å; R114-W146 HydrophobicContact CG-CZ3 4.4Å |
| 115 | Q | 82.7 | Confident | 83.9 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 13.1 | -177.6 | -52.8 | 168 | -21.8 | 0 | 0 | 114.3 | R113 G126 W151 | R113-Q115 PolarHBondContact O-N 2.89Å; Q115-G126 WeakPolarHBondContact O-CA 3.41Å; Q115-G126 PolarHBondContact O-N 3.05Å; Q115-W151 HydrophobicContact CB-CD2 4.32Å; Q115-W151 HydrophobicContact CB-CE3 3.8Å; Q115-W151 HydrophobicContact CB-CH2 4.03Å; Q115-W151 HydrophobicContact CB-CZ2 4.48Å; Q115-W151 HydrophobicContact CB-CZ3 3.65Å; Q115-W151 HydrophobicContact CG-CD2 4.42Å; Q115-W151 HydrophobicContact CG-CE3 4.2Å; Q115-W151 HydrophobicContact CG-CH2 3.63Å; Q115-W151 HydrophobicContact CG-CZ2 3.83Å; Q115-W151 HydrophobicContact CG-CZ3 3.82Å |
| 116 | E | 83.3 | Confident | 83.8 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 152.8 | 169.4 | -67.9 | 175.6 | 174.8 | 0 | 0 | 110.8 | C112 R113 R114 C123 Y124 W146 | C112-E116 HydrophobicContact CB-CB 3.6Å; R113-E116 HydrophobicContact CB-CG 4.23Å; R113-E116 WeakPolarHBondContact CB-OE2 3.31Å; R113-E116 PolarHBondContact N-OE2 3.45Å; R113-E116 WeakPolarHBondContact O-CB 3.28Å; R113-E116 PolarHBondContact O-N 2.86Å; R114-E116 PolarHBondContact O-N 3.42Å; E116-C123 HydrophobicContact CB-CB 4.48Å; E116-Y124 CarbonylContact C-O 3.56Å; E116-Y124 WeakPolarHBondContact CA-O 3.25Å; E116-Y124 WeakPolarHBondContact CB-O 3.46Å; E116-W146 PolarHBondContact O-NE1 2.86Å |
| 117 | V | 86.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.3 | -175.8 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | V119 Y124 K142 A144 W151 A153 | V117-V119 HydrophobicContact CG1-CG2 4.03Å; V117-V119 PolarHBondContact O-N 3.17Å; V117-Y124 PolarHBondContact N-O 3.39Å; V117-Y124 PolarHBondContact O-N 3.34Å; V117-K142 WeakPolarHBondContact CG1-O 3.42Å; V117-A144 HydrophobicContact CB-CB 4.45Å; V117-A144 HydrophobicContact CG1-CB 4.21Å; V117-A144 HydrophobicContact CG2-CB 4.09Å; V117-W151 HydrophobicContact CG2-CB 4.09Å; V117-W151 WeakPolarHBondContact CG2-O 3.4Å; V117-A153 HydrophobicContact CB-CB 3.98Å; V117-A153 HydrophobicContact CG1-CB 4.31Å |
| 118 | C | 87.1 | Confident | 83.5 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 10% | 0.095 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 116.8 | 171.8 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | C106 H109 | C106-C118 HydrophobicContact CB-CB 3.81Å; C106-C118 WeakPolarHBondContact CB-SG 3.15Å; C106-C118 WeakPolarHBondContact SG-CA 3.01Å; C106-C118 WeakPolarHBondContact SG-CB 3.46Å; C106-C118 CovalentContact SG-SG 2.02Å; C106-C118 PolarHBondContact SG-SG 3.06Å; H109-C118 PolarHBondContact CE1-O 2.85Å; H109-C118 VanDerWaalsContact CE1-O 3.23Å; H109-C118 PolarHBondContact ND1-N 2.93Å |
| 119 | V | 83.3 | Confident | 83.3 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 130.5 | 174.2 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | V117 S121 K122 Y124 A153 | V117-V119 HydrophobicContact CG1-CG2 4.03Å; V117-V119 PolarHBondContact O-N 3.17Å; V119-S121 PolarHBondContact O-N 3.02Å; V119-K122 PolarHBondContact N-O 2.77Å; V119-K122 PolarHBondContact O-N 3.47Å; V119-Y124 HydrophobicContact CB-CD2 3.87Å; V119-Y124 HydrophobicContact CB-CE2 4.03Å; V119-Y124 HydrophobicContact CG2-CD2 4.44Å; V119-Y124 WeakPolarHBondContact O-CE2 3.31Å; V119-A153 HydrophobicContact CG2-CB 3.56Å |
| 120 | N | 80.4 | Confident | 83.1 | Confident | 127 Ų | 127 | 64.1 Ų | 64.1 | 68% | 0.679 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 45.8 | 179.4 | -58.9 | -26.5 | 0 | 0 | 0 | 112.9 | K122 | N120-K122 PolarHBondContact O-N 3.23Š|
| 121 | S | 83.3 | Confident | 83.2 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 53% | 0.531 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 21.5 | -178.3 | -54 | 0 | 0 | 0 | 0 | 116.3 | S105 C106 V119 | S105-S121 CarbonylContact C-O 3.48Å; S105-S121 WeakPolarHBondContact CA-O 3.37Å; C106-S121 PolarHBondContact N-O 3.42Å; C106-S121 CarbonylContact O-C 3.43Å; C106-S121 WeakPolarHBondContact O-CA 3.28Å; C106-S121 WeakPolarHBondContact O-CB 3.1Å; V119-S121 PolarHBondContact O-N 3.02Å |
| 122 | K | 79.6 | Confident | 83.5 | Confident | 99 Ų | 99 | 68.8 Ų | 68.8 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139.7 | 177.3 | -72.3 | 179.9 | 178.7 | -176.3 | 0 | 111.2 | L103 R104 C106 V119 N120 Y124 | L103-K122 HydrophobicContact CB-CB 3.78Å; L103-K122 HydrophobicContact CB-CD 4.04Å; L103-K122 HydrophobicContact CB-CG 3.99Å; L103-K122 HydrophobicContact CD1-CB 4.22Å; L103-K122 HydrophobicContact CD1-CD 3.85Å; R104-K122 WeakPolarHBondContact O-CA 3.37Å; C106-K122 PolarHBondContact SG-N 2.67Å; V119-K122 PolarHBondContact N-O 2.77Å; V119-K122 PolarHBondContact O-N 3.47Å; N120-K122 PolarHBondContact O-N 3.23Å; K122-Y124 HydrophobicContact CB-CD2 4.39Å; K122-Y124 HydrophobicContact CB-CE2 3.71Å; K122-Y124 VanDerWaalsContact O-CD2 3.28Å; K122-Y124 WeakPolarHBondContact O-CD2 3.43Å |
| 123 | C | 82.7 | Confident | 84.2 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 114 | 177.2 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | L103 R104 C106 C112 E116 | L103-C123 WeakPolarHBondContact CD2-O 2.98Å; R104-C123 HydrophobicContact CB-CB 4.25Å; R104-C123 PolarHBondContact O-N 2.94Å; R104-C123 PolarHBondContact O-SG 3.26Å; C106-C123 VanDerWaalsContact CB-SG 3.56Å; C112-C123 WeakPolarHBondContact CA-SG 3Å; C112-C123 HydrophobicContact CB-CB 3.64Å; C112-C123 WeakPolarHBondContact CB-SG 3.25Å; C112-C123 WeakPolarHBondContact SG-CA 2.94Å; C112-C123 WeakPolarHBondContact SG-CB 3.27Å; C112-C123 CovalentContact SG-SG 2.04Å; C112-C123 PolarHBondContact SG-SG 2.78Å; E116-C123 HydrophobicContact CB-CB 4.48Å |
| 124 | Y | 76.3 | Confident | 84.8 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 9% | 0.086 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144 | 174.2 | -67.2 | -95.3 | 0 | 0 | 0 | 110.1 | L103 E116 V117 V119 K122 G126 A153 | L103-Y124 HydrophobicContact CD1-CD1 4.43Å; L103-Y124 HydrophobicContact CD1-CE1 3.79Å; L103-Y124 HydrophobicContact CD1-CE2 4.5Å; L103-Y124 HydrophobicContact CD2-CD1 4.26Å; L103-Y124 HydrophobicContact CD2-CE1 4.42Å; E116-Y124 CarbonylContact C-O 3.56Å; E116-Y124 WeakPolarHBondContact CA-O 3.25Å; E116-Y124 WeakPolarHBondContact CB-O 3.46Å; V117-Y124 PolarHBondContact N-O 3.39Å; V117-Y124 PolarHBondContact O-N 3.34Å; V119-Y124 HydrophobicContact CB-CD2 3.87Å; V119-Y124 HydrophobicContact CB-CE2 4.03Å; V119-Y124 HydrophobicContact CG2-CD2 4.44Å; V119-Y124 WeakPolarHBondContact O-CE2 3.31Å; K122-Y124 HydrophobicContact CB-CD2 4.39Å; K122-Y124 HydrophobicContact CB-CE2 3.71Å; K122-Y124 VanDerWaalsContact O-CD2 3.28Å; K122-Y124 WeakPolarHBondContact O-CD2 3.43Å; Y124-G126 PolarHBondContact O-N 3.21Å; Y124-A153 HydrophobicContact CG-CB 4.5Å |
| 125 | T | 75.8 | Confident | 85.3 | Confident | 57 Ų | 57 | 62 Ų | 62 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 134 | 166 | -58.3 | 0 | 0 | 0 | 0 | 109 | Q77 K154 | Q77-T125 VanDerWaalsContact NE2-N 3.13Å; Q77-T125 PolarHBondContact NE2-OG1 2.93Å; T125-K154 WeakPolarHBondContact O-CA 3.48Å; T125-K154 WeakPolarHBondContact O-CB 3Å; T125-K154 PolarHBondContact O-N 3.31Å |
| 126 | G | 79.8 | Confident | 85.8 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 169.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q115 Y124 W151 K152 | Q115-G126 WeakPolarHBondContact O-CA 3.41Å; Q115-G126 PolarHBondContact O-N 3.05Å; Y124-G126 PolarHBondContact O-N 3.21Å; G126-W151 VanDerWaalsContact C-CE3 3.46Å; G126-K152 CarbonylContact C-O 3.37Å; G126-K152 WeakPolarHBondContact CA-O 3.37Å |
| 127 | E | 82.2 | Confident | 86.1 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.1 | 163.8 | 60 | -174.8 | -176 | 0 | 0 | 109.6 | W151 K152 | E127-W151 CarbonylContact O-C 3.57Å; E127-W151 WeakPolarHBondContact O-CA 3.45Å; E127-K152 HydrophobicContact CG-CD 4.45Å; E127-K152 HydrophobicContact CG-CG 3.73Å; E127-K152 PolarHBondContact N-O 3.25Å; E127-K152 PolarHBondContact O-N 3.17Å; E127-K152 WeakPolarHBondContact OE1-CE 3.12Å; E127-K152 IonicContact OE1-NZ 3.46Å; E127-K152 PolarHBondContact OE1-NZ 2.94Å |
| 128 | P | 89.1 | Confident | 86.4 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 145.9 | -178.4 | 30.1 | -33.3 | 0 | 0 | 0 | 110.2 | L149 W151 | P128-L149 HydrophobicContact CB-CD1 4.32Å; P128-W151 HydrophobicContact CB-CD2 4.17Å; P128-W151 HydrophobicContact CB-CH2 4.33Å; P128-W151 HydrophobicContact CB-CZ2 3.91Å; P128-W151 HydrophobicContact CG-CH2 4.19Å; P128-W151 HydrophobicContact CG-CZ2 4.23Å; P128-W151 HydrophobicContact CG-CZ3 4.49Å |
| 129 | T | 87 | Confident | 86.6 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 14% | 0.141 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 172.3 | 168.2 | 69.8 | 0 | 0 | 0 | 0 | 109.3 | T131 C150 K152 | T129-T131 PolarHBondContact O-N 3.41Å; T129-T131 PolarHBondContact OG1-N 2.83Å; T129-C150 WeakPolarHBondContact CB-O 3.37Å; T129-C150 WeakPolarHBondContact CG2-O 3.47Å; T129-C150 PolarHBondContact N-O 2.81Å; T129-C150 WeakPolarHBondContact OG1-CB 3.43Å; T129-C150 PolarHBondContact OG1-O 3.18Å; T129-K152 HydrophobicContact CG2-CB 4.18Å; T129-K152 HydrophobicContact CG2-CD 4.03Å; T129-K152 HydrophobicContact CG2-CG 4.04Å |
| 130 | D | 87.2 | Confident | 86.8 | Confident | 169 Ų | 169 | 70.4 Ų | 70.4 | 90% | 0.904 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 3.9 | 174.3 | -58.3 | -40.1 | 0 | 0 | 0 | 113 | ||
| 131 | T | 89.7 | Confident | 86.8 | Confident | 68 Ų | 68 | 70 Ų | 70 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121.8 | -179.3 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | T129 L149 C150 | T129-T131 PolarHBondContact O-N 3.41Å; T129-T131 PolarHBondContact OG1-N 2.83Å; T131-L149 CarbonylContact O-C 3.52Å; T131-L149 WeakPolarHBondContact O-CA 3.4Å; T131-C150 PolarHBondContact O-N 3.04Å |
| 132 | E | 94.1 | Very high | 86.6 | Confident | 163 Ų | 163 | 72.7 Ų | 72.7 | 76% | 0.762 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 148.9 | 173.8 | -65 | -177.3 | 167.8 | 0 | 0 | 111.6 | G148 L149 | E132-G148 CarbonylContact C-O 3.44Å; E132-G148 VanDerWaalsContact CA-O 3.28Å; E132-G148 WeakPolarHBondContact CA-O 2.96Å; E132-L149 HydrophobicContact CG-CD2 4.2Å |
| 133 | C | 95.6 | Very high | 87.2 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 9% | 0.088 | 40% | 0.396 | C | S | . | . | trans | -150.6 | 152 | 179.6 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | D138 C145 G148 L149 C150 | C133-D138 HydrophobicContact CB-CB 3.8Å; C133-C145 HydrophobicContact CB-CB 3.7Å; C133-C145 WeakPolarHBondContact CB-SG 3.3Å; C133-C145 PolarHBondContact O-SG 3.27Å; C133-C145 WeakPolarHBondContact SG-CA 3.23Å; C133-C145 WeakPolarHBondContact SG-CB 3.23Å; C133-C145 CovalentContact SG-SG 2.02Å; C133-C145 PolarHBondContact SG-SG 3.21Å; C133-G148 PolarHBondContact N-O 3.15Å; C133-G148 CarbonylContact O-C 3.48Å; C133-G148 WeakPolarHBondContact O-CA 3.09Å; C133-L149 PolarHBondContact SG-O 3.41Å; C133-C150 VanDerWaalsContact CB-SG 3.59Å; C133-C150 PolarHBondContact SG-N 3.05Å | ||
| 134 | S | 93.8 | Very high | 87.6 | Confident | 117 Ų | 117 | 69 Ų | 69 | 82% | 0.818 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -101.6 | -29.7 | 169.3 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | D138 | S134-D138 WeakPolarHBondContact CA-OD2 3.43Å; S134-D138 WeakPolarHBondContact CB-OD2 3.35Å; S134-D138 PolarHBondContact N-OD2 3.25Å |
| 135 | N | 92.5 | Very high | 88.5 | Confident | 76 Ų | 76 | 68.5 Ų | 68.5 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -146.3 | 168 | -179.3 | 71.9 | 78.9 | 0 | 0 | 0 | 111.3 | A137 D138 C145 | N135-A137 PolarHBondContact O-N 3.27Å; N135-A137 WeakPolarHBondContact OD1-CA 3.5Å; N135-A137 WeakPolarHBondContact OD1-CB 3.29Å; N135-A137 PolarHBondContact OD1-N 2.97Å; N135-D138 PolarHBondContact N-OD2 2.81Å; N135-D138 PolarHBondContact ND2-OD1 3.08Å; N135-D138 PolarHBondContact ND2-OD2 2.87Å; N135-D138 VanDerWaalsContact ND2-OD2 3.07Å; N135-D138 WeakPolarHBondContact O-CB 3.16Å; N135-D138 PolarHBondContact O-N 3.22Å; N135-D138 VanDerWaalsContact O-N 3.16Å; N135-C145 WeakPolarHBondContact O-CB 3.42Å |
| 136 | H | 92 | Very high | 89.2 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -63.2 | -24.8 | -175.8 | -57.2 | -45.8 | 0 | 0 | 0 | 114.3 | S110 D138 C139 C145 W146 | S110-H136 PolarHBondContact OG-NE2 3.27Å; H136-D138 VanDerWaalsContact C-N 3.26Å; H136-D138 PolarHBondContact O-N 2.76Å; H136-C139 PolarHBondContact O-N 3.48Å; H136-C145 PolarHBondContact CE1-O 3.08Å; H136-C145 PolarHBondContact ND1-N 2.8Å; H136-C145 VanDerWaalsContact ND1-N 3.14Å; H136-C145 PolarHBondContact ND1-O 3.31Å; H136-W146 AromaticContact CE1-CH2 3.84Å; H136-W146 AromaticContact CE1-CZ2 3.81Å |
| 137 | A | 90.7 | Very high | 89.7 | Confident | 89 Ų | 89 | 72.6 Ų | 72.6 | 74% | 0.736 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -76.7 | -13.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N135 C139 | N135-A137 PolarHBondContact O-N 3.27Å; N135-A137 WeakPolarHBondContact OD1-CA 3.5Å; N135-A137 WeakPolarHBondContact OD1-CB 3.29Å; N135-A137 PolarHBondContact OD1-N 2.97Å; A137-C139 PolarHBondContact O-N 3.16Å |
| 138 | D | 92.5 | Very high | 90.2 | Very high | 76 Ų | 76 | 71.9 Ų | 71.9 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -75.4 | -15.5 | 173.9 | -52.9 | -25.8 | 0 | 0 | 0 | 111.7 | C133 S134 N135 H136 | C133-D138 HydrophobicContact CB-CB 3.8Å; S134-D138 WeakPolarHBondContact CA-OD2 3.43Å; S134-D138 WeakPolarHBondContact CB-OD2 3.35Å; S134-D138 PolarHBondContact N-OD2 3.25Å; N135-D138 PolarHBondContact N-OD2 2.81Å; N135-D138 PolarHBondContact ND2-OD1 3.08Å; N135-D138 PolarHBondContact ND2-OD2 2.87Å; N135-D138 VanDerWaalsContact ND2-OD2 3.07Å; N135-D138 WeakPolarHBondContact O-CB 3.16Å; N135-D138 PolarHBondContact O-N 3.22Å; N135-D138 VanDerWaalsContact O-N 3.16Å; H136-D138 VanDerWaalsContact C-N 3.26Å; H136-D138 PolarHBondContact O-N 2.76Å |
| 139 | C | 90.9 | Very high | 90.3 | Very high | 16 Ų | 16 | 71.5 Ų | 71.5 | 11% | 0.108 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -97.3 | 165 | -178.7 | -55 | 0 | 0 | 0 | 0 | 112.2 | H136 A137 E143 C150 | H136-C139 PolarHBondContact O-N 3.48Å; A137-C139 PolarHBondContact O-N 3.16Å; C139-E143 HydrophobicContact CB-CB 3.6Å; C139-C150 WeakPolarHBondContact CA-SG 3.42Å; C139-C150 HydrophobicContact CB-CB 3.73Å; C139-C150 WeakPolarHBondContact CB-SG 3.27Å; C139-C150 WeakPolarHBondContact SG-CA 2.97Å; C139-C150 WeakPolarHBondContact SG-CB 3.45Å; C139-C150 CovalentContact SG-SG 2.03Å; C139-C150 PolarHBondContact SG-SG 3.48Å |
| 140 | N | 88.3 | Confident | 90.6 | Very high | 105 Ų | 105 | 70.4 Ų | 70.4 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | trans | -63.4 | 161.8 | 175.7 | -64.9 | -59.4 | 0 | 0 | 0 | 112 | K142 E143 | N140-K142 PolarHBondContact O-N 2.84Å; N140-E143 HydrophobicContact CB-CG 4.17Å; N140-E143 PolarHBondContact N-OE2 2.81Å; N140-E143 VanDerWaalsContact N-OE2 3.1Å; N140-E143 PolarHBondContact ND2-OE1 2.81Å; N140-E143 PolarHBondContact ND2-OE2 2.83Å; N140-E143 WeakPolarHBondContact O-CB 3.46Å; N140-E143 PolarHBondContact O-N 3.14Å | ||
| 141 | S | 78.8 | Confident | 90.8 | Very high | 117 Ų | 117 | 64 Ų | 64 | 82% | 0.818 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -14 | -175.5 | 61.3 | 0 | 0 | 0 | 0 | 116.8 | ||
| 142 | K | 80.7 | Confident | 90.8 | Very high | 134 Ų | 134 | 65.3 Ų | 65.3 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 25 | 178.6 | -61.9 | -178 | -177.6 | 175.7 | 0 | 112.4 | V117 N140 | V117-K142 WeakPolarHBondContact CG1-O 3.42Å; N140-K142 PolarHBondContact O-N 2.84Å |
| 143 | E | 91.1 | Very high | 90 | Very high | 24 Ų | 24 | 58.3 Ų | 58.3 | 11% | 0.112 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 157.9 | -177.4 | -68.1 | 174 | -178.1 | 0 | 0 | 110.8 | H109 C139 N140 W151 K152 | H109-E143 PolarHBondContact CE1-O 3.49Å; H109-E143 VanDerWaalsContact CE1-O 3.3Å; H109-E143 PolarHBondContact NE2-O 2.02Å; C139-E143 HydrophobicContact CB-CB 3.6Å; N140-E143 HydrophobicContact CB-CG 4.17Å; N140-E143 PolarHBondContact N-OE2 2.81Å; N140-E143 VanDerWaalsContact N-OE2 3.1Å; N140-E143 PolarHBondContact ND2-OE1 2.81Å; N140-E143 PolarHBondContact ND2-OE2 2.83Å; N140-E143 WeakPolarHBondContact O-CB 3.46Å; N140-E143 PolarHBondContact O-N 3.14Å; E143-W151 CarbonylContact C-O 3.57Å; E143-W151 WeakPolarHBondContact CA-O 3.23Å; E143-W151 WeakPolarHBondContact CB-O 3.15Å; E143-K152 HydrophobicContact CG-CB 3.78Å |
| 144 | A | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 132.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | H109 V117 W146 W151 | H109-A144 HydrophobicContact CB-CB 3.67Å; V117-A144 HydrophobicContact CB-CB 4.45Å; V117-A144 HydrophobicContact CG1-CB 4.21Å; V117-A144 HydrophobicContact CG2-CB 4.09Å; A144-W146 PolarHBondContact O-N 3.17Å; A144-W151 PolarHBondContact N-O 2.85Å; A144-W151 WeakPolarHBondContact O-CB 3.2Å; A144-W151 PolarHBondContact O-N 3.07Å |
| 145 | C | 94.5 | Very high | 87.2 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 8% | 0.081 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 119.2 | 171.9 | -169.7 | 0 | 0 | 0 | 0 | 112.4 | C133 N135 H136 L149 | C133-C145 HydrophobicContact CB-CB 3.7Å; C133-C145 WeakPolarHBondContact CB-SG 3.3Å; C133-C145 PolarHBondContact O-SG 3.27Å; C133-C145 WeakPolarHBondContact SG-CA 3.23Å; C133-C145 WeakPolarHBondContact SG-CB 3.23Å; C133-C145 CovalentContact SG-SG 2.02Å; C133-C145 PolarHBondContact SG-SG 3.21Å; N135-C145 WeakPolarHBondContact O-CB 3.42Å; H136-C145 PolarHBondContact CE1-O 3.08Å; H136-C145 PolarHBondContact ND1-N 2.8Å; H136-C145 VanDerWaalsContact ND1-N 3.14Å; H136-C145 PolarHBondContact ND1-O 3.31Å; C145-L149 WeakPolarHBondContact CA-O 3.49Å |
| 146 | W | 91.5 | Very high | 85.2 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 16% | 0.163 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 127.3 | 172.5 | -60.6 | 114.2 | 0 | 0 | 0 | 110.9 | R114 E116 H136 A144 G148 L149 W151 | R114-W146 HydrophobicContact CG-CE3 4.4Å; R114-W146 HydrophobicContact CG-CZ3 4.4Å; E116-W146 PolarHBondContact O-NE1 2.86Å; H136-W146 AromaticContact CE1-CH2 3.84Å; H136-W146 AromaticContact CE1-CZ2 3.81Å; A144-W146 PolarHBondContact O-N 3.17Å; W146-G148 VanDerWaalsContact C-N 3.25Å; W146-G148 PolarHBondContact O-N 3.4Å; W146-L149 PolarHBondContact N-O 3.28Å; W146-L149 PolarHBondContact O-N 2.9Å; W146-W151 HydrophobicContact CB-CG 4.28Å; W146-W151 PolarHBondContact O-NE1 2.92Å |
| 147 | S | 89.8 | Confident | 83.3 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 76% | 0.755 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 36.2 | 179.1 | -55.5 | 0 | 0 | 0 | 0 | 114 | L149 | S147-L149 VanDerWaalsContact C-N 3.35Š|
| 148 | G | 92.3 | Very high | 81.4 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -0.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E132 C133 W146 | E132-G148 CarbonylContact C-O 3.44Å; E132-G148 VanDerWaalsContact CA-O 3.28Å; E132-G148 WeakPolarHBondContact CA-O 2.96Å; C133-G148 PolarHBondContact N-O 3.15Å; C133-G148 CarbonylContact O-C 3.48Å; C133-G148 WeakPolarHBondContact O-CA 3.09Å; W146-G148 VanDerWaalsContact C-N 3.25Å; W146-G148 PolarHBondContact O-N 3.4Å |
| 149 | L | 92.8 | Very high | 80 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 148.1 | 179.7 | -67 | 173.4 | 0 | 0 | 0 | 110.8 | P128 T131 E132 C133 C145 W146 S147 | P128-L149 HydrophobicContact CB-CD1 4.32Å; T131-L149 CarbonylContact O-C 3.52Å; T131-L149 WeakPolarHBondContact O-CA 3.4Å; E132-L149 HydrophobicContact CG-CD2 4.2Å; C133-L149 PolarHBondContact SG-O 3.41Å; C145-L149 WeakPolarHBondContact CA-O 3.49Å; W146-L149 PolarHBondContact N-O 3.28Å; W146-L149 PolarHBondContact O-N 2.9Å; S147-L149 VanDerWaalsContact C-N 3.35Å |
| 150 | C | 92.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 131.7 | 170 | -68 | 0 | 0 | 0 | 0 | 109.4 | T129 T131 C133 C139 | T129-C150 WeakPolarHBondContact CB-O 3.37Å; T129-C150 WeakPolarHBondContact CG2-O 3.47Å; T129-C150 PolarHBondContact N-O 2.81Å; T129-C150 WeakPolarHBondContact OG1-CB 3.43Å; T129-C150 PolarHBondContact OG1-O 3.18Å; T131-C150 PolarHBondContact O-N 3.04Å; C133-C150 VanDerWaalsContact CB-SG 3.59Å; C133-C150 PolarHBondContact SG-N 3.05Å; C139-C150 WeakPolarHBondContact CA-SG 3.42Å; C139-C150 HydrophobicContact CB-CB 3.73Å; C139-C150 WeakPolarHBondContact CB-SG 3.27Å; C139-C150 WeakPolarHBondContact SG-CA 2.97Å; C139-C150 WeakPolarHBondContact SG-CB 3.45Å; C139-C150 CovalentContact SG-SG 2.03Å; C139-C150 PolarHBondContact SG-SG 3.48Å |
| 151 | W | 91.5 | Very high | 79.4 | Confident | 34 Ų | 34 | 59.2 Ų | 59.2 | 13% | 0.129 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.2 | 175.9 | -69.6 | 61 | 0 | 0 | 0 | 108.7 | Q115 V117 G126 E127 P128 E143 A144 W146 | Q115-W151 HydrophobicContact CB-CD2 4.32Å; Q115-W151 HydrophobicContact CB-CE3 3.8Å; Q115-W151 HydrophobicContact CB-CH2 4.03Å; Q115-W151 HydrophobicContact CB-CZ2 4.48Å; Q115-W151 HydrophobicContact CB-CZ3 3.65Å; Q115-W151 HydrophobicContact CG-CD2 4.42Å; Q115-W151 HydrophobicContact CG-CE3 4.2Å; Q115-W151 HydrophobicContact CG-CH2 3.63Å; Q115-W151 HydrophobicContact CG-CZ2 3.83Å; Q115-W151 HydrophobicContact CG-CZ3 3.82Å; V117-W151 HydrophobicContact CG2-CB 4.09Å; V117-W151 WeakPolarHBondContact CG2-O 3.4Å; G126-W151 VanDerWaalsContact C-CE3 3.46Å; E127-W151 CarbonylContact O-C 3.57Å; E127-W151 WeakPolarHBondContact O-CA 3.45Å; P128-W151 HydrophobicContact CB-CD2 4.17Å; P128-W151 HydrophobicContact CB-CH2 4.33Å; P128-W151 HydrophobicContact CB-CZ2 3.91Å; P128-W151 HydrophobicContact CG-CH2 4.19Å; P128-W151 HydrophobicContact CG-CZ2 4.23Å; P128-W151 HydrophobicContact CG-CZ3 4.49Å; E143-W151 CarbonylContact C-O 3.57Å; E143-W151 WeakPolarHBondContact CA-O 3.23Å; E143-W151 WeakPolarHBondContact CB-O 3.15Å; A144-W151 PolarHBondContact N-O 2.85Å; A144-W151 WeakPolarHBondContact O-CB 3.2Å; A144-W151 PolarHBondContact O-N 3.07Å; W146-W151 HydrophobicContact CB-CG 4.28Å; W146-W151 PolarHBondContact O-NE1 2.92Å |
| 152 | K | 88.6 | Confident | 79.9 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 146.4 | 172.2 | 67 | -174.3 | -171.9 | -179.5 | 0 | 109.7 | G126 E127 T129 E143 K154 | G126-K152 CarbonylContact C-O 3.37Å; G126-K152 WeakPolarHBondContact CA-O 3.37Å; E127-K152 HydrophobicContact CG-CD 4.45Å; E127-K152 HydrophobicContact CG-CG 3.73Å; E127-K152 PolarHBondContact N-O 3.25Å; E127-K152 PolarHBondContact O-N 3.17Å; E127-K152 WeakPolarHBondContact OE1-CE 3.12Å; E127-K152 IonicContact OE1-NZ 3.46Å; E127-K152 PolarHBondContact OE1-NZ 2.94Å; T129-K152 HydrophobicContact CG2-CB 4.18Å; T129-K152 HydrophobicContact CG2-CD 4.03Å; T129-K152 HydrophobicContact CG2-CG 4.04Å; E143-K152 HydrophobicContact CG-CB 3.78Å; K152-K154 PolarHBondContact O-N 2.98Å |
| 153 | A | 78.8 | Confident | 80.2 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 123.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V117 V119 Y124 Q155 | V117-A153 HydrophobicContact CB-CB 3.98Å; V117-A153 HydrophobicContact CG1-CB 4.31Å; V119-A153 HydrophobicContact CG2-CB 3.56Å; Y124-A153 HydrophobicContact CG-CB 4.5Å; A153-Q155 HydrophobicContact CB-CG 4.16Å; A153-Q155 PolarHBondContact O-N 3.18Å |
| 154 | K | 69.6 | Low | 79.8 | Confident | 102 Ų | 102 | 57.8 Ų | 57.8 | 44% | 0.443 | 34% | 0.338 | S | S | . | . | trans | -71.9 | 79.4 | 161.6 | -168.1 | 172.9 | -172.5 | 161 | 0 | 107.1 | T125 K152 A156 | T125-K154 WeakPolarHBondContact O-CA 3.48Å; T125-K154 WeakPolarHBondContact O-CB 3Å; T125-K154 PolarHBondContact O-N 3.31Å; K152-K154 PolarHBondContact O-N 2.98Å; K154-A156 PolarHBondContact O-N 2.91Å | ||
| 155 | Q | 59.5 | Low | 79.3 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | trans | -59.6 | 124.5 | 180 | -69.7 | -71.4 | -51.8 | 0 | 0 | 107.6 | A153 N157 | A153-Q155 HydrophobicContact CB-CG 4.16Å; A153-Q155 PolarHBondContact O-N 3.18Å; Q155-N157 HydrophobicContact CB-CB 3.9Å; Q155-N157 PolarHBondContact O-N 3.44Å; Q155-N157 PolarHBondContact OE1-ND2 2.9Å | ||
| 156 | A | 51.6 | Low | 78.6 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | trans | -72.5 | 17.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K154 N158 | K154-A156 PolarHBondContact O-N 2.91Å; A156-N158 VanDerWaalsContact C-N 3.33Å; A156-N158 PolarHBondContact O-N 2.67Å | ||
| 157 | N | 51.6 | Low | 77.8 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 44% | 0.444 | 37% | 0.367 | S | S | . | . | trans | -68.4 | 102.5 | 172.1 | -73.9 | -19.7 | 0 | 0 | 0 | 105.9 | Q155 G159 | Q155-N157 HydrophobicContact CB-CB 3.9Å; Q155-N157 PolarHBondContact O-N 3.44Å; Q155-N157 PolarHBondContact OE1-ND2 2.9Å; N157-G159 PolarHBondContact O-N 2.97Å; N157-G159 VanDerWaalsContact O-N 3.15Å | ||
| 158 | N | 51.4 | Low | 77.5 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | trans | -52.9 | -24.9 | 157.6 | -75.9 | -5.6 | 0 | 0 | 0 | 110 | A156 C160 G175 V176 C177 | A156-N158 VanDerWaalsContact C-N 3.33Å; A156-N158 PolarHBondContact O-N 2.67Å; N158-C160 PolarHBondContact O-N 3.16Å; N158-G175 CarbonylContact C-O 3.48Å; N158-V176 HydrophobicContact CB-CG1 4.2Å; N158-V176 CarbonylContact O-C 3.48Å; N158-V176 WeakPolarHBondContact O-CA 3.02Å; N158-C177 PolarHBondContact O-N 2.73Å | ||
| 159 | G | 63.2 | Low | 77.1 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 51% | 0.505 | 35% | 0.35 | S | S | . | . | trans | -39.7 | 120.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N157 G175 | N157-G159 PolarHBondContact O-N 2.97Å; N157-G159 VanDerWaalsContact O-N 3.15Å; G159-G175 CarbonylContact C-O 3.49Å; G159-G175 WeakPolarHBondContact CA-O 3.23Å; G159-G175 PolarHBondContact N-O 3.07Å | ||
| 160 | C | 80.5 | Confident | 76.8 | Confident | 14 Ų | 14 | 61 Ų | 61 | 10% | 0.095 | 35% | 0.348 | C | S | . | . | trans | -143.3 | 160 | 171.2 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | N158 D165 C172 G175 V176 | N158-C160 PolarHBondContact O-N 3.16Å; C160-D165 HydrophobicContact CB-CB 3.88Å; C160-C172 HydrophobicContact CB-CB 3.59Å; C160-C172 WeakPolarHBondContact CB-SG 3.27Å; C160-C172 PolarHBondContact O-SG 3.44Å; C160-C172 WeakPolarHBondContact SG-CA 3.33Å; C160-C172 WeakPolarHBondContact SG-CB 3.46Å; C160-C172 CovalentContact SG-SG 2.02Å; C160-C172 PolarHBondContact SG-SG 2.85Å; C160-G175 PolarHBondContact N-O 3.42Å; C160-G175 VanDerWaalsContact N-O 3.08Å; C160-G175 VanDerWaalsContact O-CA 3.27Å; C160-G175 WeakPolarHBondContact O-CA 3.45Å; C160-V176 PolarHBondContact SG-N 2.86Å | ||
| 161 | T | 85 | Confident | 76.5 | Confident | 136 Ų | 136 | 61.2 Ų | 61.2 | 83% | 0.834 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -121.9 | -26.2 | 173.4 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | D165 | T161-D165 WeakPolarHBondContact CA-OD2 3.45Å; T161-D165 PolarHBondContact N-OD2 2.9Å; T161-D165 PolarHBondContact OG1-OD2 3.29Å |
| 162 | S | 88.6 | Confident | 76.3 | Confident | 45 Ų | 45 | 60.3 Ų | 60.3 | 32% | 0.315 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -135.1 | 162.5 | 177.1 | 79.2 | 0 | 0 | 0 | 0 | 110.4 | D164 D165 C172 | S162-D164 PolarHBondContact O-N 3.15Å; S162-D164 PolarHBondContact OG-N 2.93Å; S162-D165 PolarHBondContact N-OD2 2.81Å; S162-D165 WeakPolarHBondContact O-CB 3.34Å; S162-D165 PolarHBondContact O-N 3.02Å; S162-D165 PolarHBondContact OG-OD1 3.26Å; S162-D165 PolarHBondContact OG-OD2 2.76Å; S162-C172 VanDerWaalsContact C-CB 3.45Å; S162-C172 WeakPolarHBondContact O-CB 3.43Å |
| 163 | H | 87.4 | Confident | 76.1 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 30% | 0.296 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -62.9 | -25.6 | 175.7 | -60.7 | -43.1 | 0 | 0 | 0 | 112.7 | D165 C166 L171 C172 K199 | H163-D165 VanDerWaalsContact C-N 3.26Å; H163-D165 PolarHBondContact O-N 3.03Å; H163-C166 PolarHBondContact O-N 2.68Å; H163-L171 HydrophobicContact CB-CD2 3.81Å; H163-C172 PolarHBondContact CE1-O 2.89Å; H163-C172 PolarHBondContact ND1-N 3.09Å; H163-C172 PolarHBondContact ND1-O 2.71Å; H163-C172 VanDerWaalsContact ND1-O 3.17Å; H163-K199 WeakPolarHBondContact O-CE 3.48Å; H163-K199 PolarHBondContact O-NZ 2.77Å |
| 164 | D | 84.2 | Confident | 76.3 | Confident | 137 Ų | 137 | 66.1 Ų | 66.1 | 73% | 0.733 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -72.4 | -20.5 | -179.6 | -64.5 | -30.1 | 0 | 0 | 0 | 113.1 | S162 C166 | S162-D164 PolarHBondContact O-N 3.15Å; S162-D164 PolarHBondContact OG-N 2.93Å; D164-C166 PolarHBondContact O-N 3.11Å |
| 165 | D | 80.9 | Confident | 76.7 | Confident | 80 Ų | 80 | 62.7 Ų | 62.7 | 43% | 0.428 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -68.3 | -16.7 | 174.8 | -57.5 | -27.3 | 0 | 0 | 0 | 112.3 | C160 T161 S162 H163 | C160-D165 HydrophobicContact CB-CB 3.88Å; T161-D165 WeakPolarHBondContact CA-OD2 3.45Å; T161-D165 PolarHBondContact N-OD2 2.9Å; T161-D165 PolarHBondContact OG1-OD2 3.29Å; S162-D165 PolarHBondContact N-OD2 2.81Å; S162-D165 WeakPolarHBondContact O-CB 3.34Å; S162-D165 PolarHBondContact O-N 3.02Å; S162-D165 PolarHBondContact OG-OD1 3.26Å; S162-D165 PolarHBondContact OG-OD2 2.76Å; H163-D165 VanDerWaalsContact C-N 3.26Å; H163-D165 PolarHBondContact O-N 3.03Å |
| 166 | C | 78.2 | Confident | 77.4 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.027 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -95.3 | 130.5 | -175.8 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | H163 D164 K170 C172 C177 K199 | H163-C166 PolarHBondContact O-N 2.68Å; D164-C166 PolarHBondContact O-N 3.11Å; C166-K170 HydrophobicContact CB-CB 3.7Å; C166-C172 PolarHBondContact SG-N 2.79Å; C166-C172 VanDerWaalsContact SG-N 3.42Å; C166-C177 WeakPolarHBondContact CA-SG 3.45Å; C166-C177 HydrophobicContact CB-CB 3.67Å; C166-C177 WeakPolarHBondContact CB-SG 3.14Å; C166-C177 WeakPolarHBondContact SG-CA 3.23Å; C166-C177 WeakPolarHBondContact SG-CB 3.28Å; C166-C177 CovalentContact SG-SG 2.03Å; C166-C177 PolarHBondContact SG-SG 3.22Å; C166-K199 PolarHBondContact O-NZ 2.94Å |
| 167 | D | 76.2 | Confident | 78.8 | Confident | 76 Ų | 76 | 61.5 Ų | 61.5 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -62.5 | 142.6 | 177.8 | -64 | -22.5 | 0 | 0 | 0 | 112.9 | K170 | D167-K170 WeakPolarHBondContact O-CB 3.49Å; D167-K170 PolarHBondContact O-N 2.74Å |
| 168 | G | 82.3 | Confident | 80.2 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 45% | 0.454 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -135.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K170 K199 L200 | G168-K170 PolarHBondContact O-N 3.16Å; G168-K199 WeakPolarHBondContact O-CE 3.05Å; G168-K199 PolarHBondContact O-NZ 2.8Å; G168-L200 WeakPolarHBondContact O-CD1 2.93Å |
| 169 | L | 85 | Confident | 81.7 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 31% | 0.314 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 22.6 | -178.2 | -62.4 | 173.5 | 0 | 0 | 0 | 113.2 | A180 L200 I204 | L169-A180 WeakPolarHBondContact O-CB 2.98Å; L169-L200 HydrophobicContact CD2-CB 4.28Å; L169-L200 HydrophobicContact CD2-CD1 4.13Å; L169-I204 HydrophobicContact CB-CD1 4.41Å; L169-I204 HydrophobicContact CD2-CG2 4.25Å; L169-I204 WeakPolarHBondContact O-CD1 3.39Å |
| 170 | K | 86 | Confident | 82.7 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | trans | -83.4 | 154.4 | 176.5 | -69.4 | 173.3 | -177.8 | 168.6 | 0 | 111.8 | C166 D167 G168 C177 L178 E179 K199 | C166-K170 HydrophobicContact CB-CB 3.7Å; D167-K170 WeakPolarHBondContact O-CB 3.49Å; D167-K170 PolarHBondContact O-N 2.74Å; G168-K170 PolarHBondContact O-N 3.16Å; K170-C177 HydrophobicContact CB-CB 4.41Å; K170-C177 HydrophobicContact CD-CB 4.34Å; K170-L178 CarbonylContact C-O 3.48Å; K170-L178 WeakPolarHBondContact CA-O 3.12Å; K170-L178 VanDerWaalsContact CB-O 3.28Å; K170-L178 WeakPolarHBondContact CB-O 3.44Å; K170-E179 WeakPolarHBondContact CE-OE1 2.98Å; K170-E179 IonicContact NZ-OE1 3.88Å; K170-K199 PolarHBondContact O-NZ 2.97Å | ||
| 171 | L | 87 | Confident | 82.6 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.9 | 175.6 | -67.3 | -179.3 | 0 | 0 | 0 | 111.2 | H163 L178 A180 V197 K199 I204 I206 | H163-L171 HydrophobicContact CB-CD2 3.81Å; L171-L178 PolarHBondContact N-O 3.37Å; L171-L178 PolarHBondContact O-N 2.93Å; L171-A180 HydrophobicContact CD1-CB 4.08Å; L171-A180 HydrophobicContact CG-CB 3.98Å; L171-V197 HydrophobicContact CD1-CG2 3.68Å; L171-V197 HydrophobicContact CD2-CG2 3.33Å; L171-V197 HydrophobicContact CG-CG2 4.16Å; L171-K199 HydrophobicContact CD2-CD 4.06Å; L171-I204 HydrophobicContact CD1-CD1 4.27Å; L171-I204 HydrophobicContact CD1-CG1 4.14Å; L171-I204 HydrophobicContact CD2-CD1 3.55Å; L171-I204 HydrophobicContact CD2-CG1 3.96Å; L171-I204 HydrophobicContact CG-CD1 3.75Å; L171-I204 HydrophobicContact CG-CG1 4.16Å; L171-I206 HydrophobicContact CB-CG1 3.91Å; L171-I206 HydrophobicContact CD1-CG1 4.17Å |
| 172 | C | 86.3 | Confident | 81.9 | Confident | 16 Ų | 16 | 61.3 Ų | 61.3 | 11% | 0.108 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.1 | 170.8 | -172.4 | 0 | 0 | 0 | 0 | 112.5 | C160 S162 H163 C166 | C160-C172 HydrophobicContact CB-CB 3.59Å; C160-C172 WeakPolarHBondContact CB-SG 3.27Å; C160-C172 PolarHBondContact O-SG 3.44Å; C160-C172 WeakPolarHBondContact SG-CA 3.33Å; C160-C172 WeakPolarHBondContact SG-CB 3.46Å; C160-C172 CovalentContact SG-SG 2.02Å; C160-C172 PolarHBondContact SG-SG 2.85Å; S162-C172 VanDerWaalsContact C-CB 3.45Å; S162-C172 WeakPolarHBondContact O-CB 3.43Å; H163-C172 PolarHBondContact CE1-O 2.89Å; H163-C172 PolarHBondContact ND1-N 3.09Å; H163-C172 PolarHBondContact ND1-O 2.71Å; H163-C172 VanDerWaalsContact ND1-O 3.17Å; C166-C172 PolarHBondContact SG-N 2.79Å; C166-C172 VanDerWaalsContact SG-N 3.42Å |
| 173 | S | 85.3 | Confident | 80.6 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 124.4 | 173.2 | -163.3 | 0 | 0 | 0 | 0 | 109.3 | G175 V176 I206 | S173-G175 PolarHBondContact O-N 3.26Å; S173-G175 VanDerWaalsContact O-N 3.14Å; S173-V176 PolarHBondContact N-O 3.33Å; S173-V176 WeakPolarHBondContact O-CA 3.25Å; S173-V176 WeakPolarHBondContact O-CB 3.14Å; S173-V176 PolarHBondContact O-N 3.34Å; S173-V176 VanDerWaalsContact O-O 3.12Å; S173-I206 VanDerWaalsContact CB-CD1 3.45Å; S173-I206 WeakPolarHBondContact OG-CD1 2.88Å |
| 174 | E | 81.9 | Confident | 80.2 | Confident | 196 Ų | 196 | 63.7 Ų | 63.7 | 92% | 0.916 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 36 | 179.7 | -57.8 | -176.7 | 164 | 0 | 0 | 113.6 | V176 | E174-V176 VanDerWaalsContact C-N 3.25Å; E174-V176 PolarHBondContact O-N 3.26Å |
| 175 | G | 78.1 | Confident | 80.5 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 15.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N158 G159 C160 S173 | N158-G175 CarbonylContact C-O 3.48Å; G159-G175 CarbonylContact C-O 3.49Å; G159-G175 WeakPolarHBondContact CA-O 3.23Å; G159-G175 PolarHBondContact N-O 3.07Å; C160-G175 PolarHBondContact N-O 3.42Å; C160-G175 VanDerWaalsContact N-O 3.08Å; C160-G175 VanDerWaalsContact O-CA 3.27Å; C160-G175 WeakPolarHBondContact O-CA 3.45Å; S173-G175 PolarHBondContact O-N 3.26Å; S173-G175 VanDerWaalsContact O-N 3.14Å |
| 176 | V | 74.4 | Confident | 81.1 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 32% | 0.321 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.9 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | N158 C160 S173 E174 L178 | N158-V176 HydrophobicContact CB-CG1 4.2Å; N158-V176 CarbonylContact O-C 3.48Å; N158-V176 WeakPolarHBondContact O-CA 3.02Å; C160-V176 PolarHBondContact SG-N 2.86Å; S173-V176 PolarHBondContact N-O 3.33Å; S173-V176 WeakPolarHBondContact O-CA 3.25Å; S173-V176 WeakPolarHBondContact O-CB 3.14Å; S173-V176 PolarHBondContact O-N 3.34Å; S173-V176 VanDerWaalsContact O-O 3.12Å; E174-V176 VanDerWaalsContact C-N 3.25Å; E174-V176 PolarHBondContact O-N 3.26Å; V176-L178 HydrophobicContact CB-CD2 4.45Å; V176-L178 HydrophobicContact CG1-CD2 3.7Å; V176-L178 HydrophobicContact CG1-CG 4.3Å; V176-L178 PolarHBondContact O-N 2.76Å |
| 177 | C | 81.7 | Confident | 81.9 | Confident | 23 Ų | 23 | 67 Ų | 67 | 16% | 0.155 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 107.8 | 169.6 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | N158 C166 K170 | N158-C177 PolarHBondContact O-N 2.73Å; C166-C177 WeakPolarHBondContact CA-SG 3.45Å; C166-C177 HydrophobicContact CB-CB 3.67Å; C166-C177 WeakPolarHBondContact CB-SG 3.14Å; C166-C177 WeakPolarHBondContact SG-CA 3.23Å; C166-C177 WeakPolarHBondContact SG-CB 3.28Å; C166-C177 CovalentContact SG-SG 2.03Å; C166-C177 PolarHBondContact SG-SG 3.22Å; K170-C177 HydrophobicContact CB-CB 4.41Å; K170-C177 HydrophobicContact CD-CB 4.34Å |
| 178 | L | 79.7 | Confident | 82.7 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 148.8 | -180 | -59.6 | 177.8 | 0 | 0 | 0 | 111.3 | K170 L171 V176 I206 | K170-L178 CarbonylContact C-O 3.48Å; K170-L178 WeakPolarHBondContact CA-O 3.12Å; K170-L178 VanDerWaalsContact CB-O 3.28Å; K170-L178 WeakPolarHBondContact CB-O 3.44Å; L171-L178 PolarHBondContact N-O 3.37Å; L171-L178 PolarHBondContact O-N 2.93Å; V176-L178 HydrophobicContact CB-CD2 4.45Å; V176-L178 HydrophobicContact CG1-CD2 3.7Å; V176-L178 HydrophobicContact CG1-CG 4.3Å; V176-L178 PolarHBondContact O-N 2.76Å; L178-I206 HydrophobicContact CB-CG2 3.88Å; L178-I206 HydrophobicContact CD1-CD1 4.35Å; L178-I206 HydrophobicContact CD1-CG2 3.61Å; L178-I206 HydrophobicContact CG-CG2 4.41Å |
| 179 | E | 83.5 | Confident | 83.1 | Confident | 117 Ų | 117 | 67.9 Ų | 67.9 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | trans | -58.5 | 146 | 169.7 | -66 | -61.7 | 153.6 | 0 | 0 | 110.2 | K170 A207 | K170-E179 WeakPolarHBondContact CE-OE1 2.98Å; K170-E179 IonicContact NZ-OE1 3.88Å; E179-A207 HydrophobicContact CB-CB 4.12Å; E179-A207 WeakPolarHBondContact O-CB 3.33Å; E179-A207 PolarHBondContact O-N 2.93Å | ||
| 180 | A | 84.1 | Confident | 83.5 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 152.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L169 L171 I204 K205 | L169-A180 WeakPolarHBondContact O-CB 2.98Å; L171-A180 HydrophobicContact CD1-CB 4.08Å; L171-A180 HydrophobicContact CG-CB 3.98Å; A180-I204 HydrophobicContact CB-CB 3.88Å; A180-I204 HydrophobicContact CB-CD1 3.85Å; A180-I204 HydrophobicContact CB-CG1 4.28Å; A180-K205 CarbonylContact C-O 3.57Å; A180-K205 WeakPolarHBondContact CA-O 3.03Å; A180-K205 VanDerWaalsContact CB-O 3.23Å; A180-K205 WeakPolarHBondContact CB-O 3Å |
| 181 | V | 78.8 | Confident | 83.8 | Confident | 74 Ų | 74 | 72 Ų | 72 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 167.5 | 174.6 | -64.7 | 0 | 0 | 0 | 0 | 108.7 | I204 K205 A207 | V181-I204 CarbonylContact O-C 3.51Å; V181-K205 HydrophobicContact CG2-CG 4.22Å; V181-K205 PolarHBondContact N-O 2.93Å; V181-K205 WeakPolarHBondContact O-CG 3.3Å; V181-K205 PolarHBondContact O-N 3.44Å; V181-A207 HydrophobicContact CG1-CB 3.71Å; V181-A207 HydrophobicContact CG2-CB 4.43Å |
| 182 | L | 70.7 | Confident | 83.9 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 41% | 0.408 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.9 | 139.1 | -169.4 | -153.5 | 73.4 | 0 | 0 | 0 | 112.7 | A196 C203 I204 K205 | L182-A196 HydrophobicContact CD2-CB 3.96Å; L182-C203 CarbonylContact C-O 3.52Å; L182-C203 WeakPolarHBondContact CB-O 3.1Å; L182-I204 WeakPolarHBondContact O-CA 3Å; L182-I204 WeakPolarHBondContact O-CG2 3.43Å; L182-K205 HydrophobicContact CB-CG 4.25Å |
| 183 | A | 61.8 | Low | 83.9 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 40% | 0.397 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 57.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C203 | A183-C203 PolarHBondContact N-O 3.14Å; A183-C203 VanDerWaalsContact N-O 3.17Å |
| 184 | I | 78.6 | Confident | 83.7 | Confident | 111 Ų | 111 | 82.3 Ų | 82.3 | 57% | 0.569 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 146.6 | 163.1 | -61.1 | 172.2 | 0 | 0 | 0 | 107.3 | R202 C203 | I184-R202 CarbonylContact O-C 3.55Å; I184-R202 VanDerWaalsContact O-CA 3.28Å; I184-R202 WeakPolarHBondContact O-CA 3.42Å; I184-C203 HydrophobicContact CB-CB 4.49Å; I184-C203 PolarHBondContact O-N 2.77Å |
| 185 | T | 90.2 | Very high | 83.8 | Confident | 120 Ų | 120 | 77.5 Ų | 77.5 | 74% | 0.736 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 143.5 | 177.3 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | G201 | T185-G201 VanDerWaalsContact CA-O 3.31Å; T185-G201 WeakPolarHBondContact CA-O 3.28Å |
| 186 | C | 94.2 | Very high | 84.3 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 5% | 0.054 | 45% | 0.449 | C | S | . | . | trans | -148.4 | 158.8 | 176.2 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | D191 C198 G201 R202 C203 | C186-D191 HydrophobicContact CB-CB 3.78Å; C186-C198 HydrophobicContact CB-CB 3.84Å; C186-C198 WeakPolarHBondContact CB-SG 3.38Å; C186-C198 PolarHBondContact O-SG 3.04Å; C186-C198 WeakPolarHBondContact SG-CA 3.41Å; C186-C198 WeakPolarHBondContact SG-CB 3.05Å; C186-C198 CovalentContact SG-SG 2.02Å; C186-C198 PolarHBondContact SG-SG 3.49Å; C186-G201 PolarHBondContact N-O 2.77Å; C186-G201 CarbonylContact O-C 3.55Å; C186-G201 WeakPolarHBondContact O-CA 3.2Å; C186-G201 VanDerWaalsContact SG-C 3.58Å; C186-R202 PolarHBondContact SG-N 2.79Å; C186-R202 VanDerWaalsContact SG-N 3.38Å; C186-C203 WeakPolarHBondContact CB-SG 3.16Å; C186-C203 PolarHBondContact SG-N 3.17Å | ||
| 187 | N | 94.7 | Very high | 85.1 | Confident | 162 Ų | 162 | 75.1 Ų | 75.1 | 87% | 0.866 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -107.5 | -29.3 | 168.9 | -59.6 | -60.4 | 0 | 0 | 0 | 111.2 | D191 | N187-D191 WeakPolarHBondContact CA-OD2 2.97Å; N187-D191 PolarHBondContact N-OD2 3.05Å |
| 188 | A | 92.9 | Very high | 85.6 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 35% | 0.347 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -142 | 162.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T190 D191 C198 | A188-T190 PolarHBondContact O-N 3.33Å; A188-T190 VanDerWaalsContact O-N 3.16Å; A188-D191 PolarHBondContact N-OD2 2.03Å; A188-D191 WeakPolarHBondContact O-CB 3.01Å; A188-D191 PolarHBondContact O-N 3.2Å; A188-C198 WeakPolarHBondContact O-CB 2.94Å |
| 189 | N | 91 | Very high | 86.1 | Confident | 98 Ų | 98 | 73 Ų | 73 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -57.5 | -29.2 | 176.8 | -70.3 | -16.4 | 0 | 0 | 0 | 112.9 | D191 C192 C198 | N189-D191 PolarHBondContact O-N 2.86Å; N189-C192 WeakPolarHBondContact O-CB 3Å; N189-C192 PolarHBondContact O-N 3.01Å; N189-C192 VanDerWaalsContact O-N 3.08Å; N189-C198 WeakPolarHBondContact OD1-CB 3.28Å; N189-C198 PolarHBondContact OD1-N 2.87Å |
| 190 | T | 92.8 | Very high | 86.4 | Confident | 127 Ų | 127 | 73.3 Ų | 73.3 | 78% | 0.779 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -65.6 | -20.3 | 177.2 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | A188 C192 | A188-T190 PolarHBondContact O-N 3.33Å; A188-T190 VanDerWaalsContact O-N 3.16Å; T190-C192 PolarHBondContact O-N 3.23Å |
| 191 | D | 91.9 | Very high | 86.7 | Confident | 85 Ų | 85 | 74.2 Ų | 74.2 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -77.7 | -12 | 175.9 | -52.7 | -27.8 | 0 | 0 | 0 | 111.5 | C186 N187 A188 N189 | C186-D191 HydrophobicContact CB-CB 3.78Å; N187-D191 WeakPolarHBondContact CA-OD2 2.97Å; N187-D191 PolarHBondContact N-OD2 3.05Å; A188-D191 PolarHBondContact N-OD2 2.03Å; A188-D191 WeakPolarHBondContact O-CB 3.01Å; A188-D191 PolarHBondContact O-N 3.2Å; N189-D191 PolarHBondContact O-N 2.86Å |
| 192 | C | 89.2 | Confident | 87.3 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 11% | 0.108 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -100.4 | 135.8 | -174 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | N189 T190 S194 A196 C203 | N189-C192 WeakPolarHBondContact O-CB 3Å; N189-C192 PolarHBondContact O-N 3.01Å; N189-C192 VanDerWaalsContact O-N 3.08Å; T190-C192 PolarHBondContact O-N 3.23Å; C192-S194 PolarHBondContact O-N 2.04Å; C192-A196 HydrophobicContact CB-CB 4.01Å; C192-A196 WeakPolarHBondContact CB-O 3.27Å; C192-C203 WeakPolarHBondContact CA-SG 3.37Å; C192-C203 HydrophobicContact CB-CB 3.74Å; C192-C203 WeakPolarHBondContact CB-SG 3.46Å; C192-C203 WeakPolarHBondContact SG-CA 3.47Å; C192-C203 WeakPolarHBondContact SG-CB 3.47Å; C192-C203 CovalentContact SG-SG 2.04Å; C192-C203 PolarHBondContact SG-SG 2.85Å |
| 193 | L | 85.4 | Confident | 88.3 | Confident | 152 Ų | 152 | 72.3 Ų | 72.3 | 80% | 0.796 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 124 | 170.4 | -175 | 67.3 | 0 | 0 | 0 | 109.5 | A196 | L193-A196 VanDerWaalsContact O-CB 3.27Å; L193-A196 WeakPolarHBondContact O-CB 3.4Å; L193-A196 PolarHBondContact O-N 2.02Å |
| 194 | S | 82.5 | Confident | 89.6 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 73% | 0.734 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 134.4 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | C192 | C192-S194 PolarHBondContact O-N 2.04Š|
| 195 | P | 83.7 | Confident | 90.1 | Very high | 96 Ų | 96 | 68.8 Ų | 68.8 | 62% | 0.623 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -96.5 | 23.5 | 11.9 | 39.4 | -37.7 | 0 | 0 | 0 | 114.7 | K205 | P195-K205 HydrophobicContact CG-CD 4.48Š|
| 196 | A | 87.5 | Confident | 89.7 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 7% | 0.066 | 37% | 0.373 | C | S | . | . | trans | -75.6 | 151.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L182 C192 L193 C203 I204 K205 | L182-A196 HydrophobicContact CD2-CB 3.96Å; C192-A196 HydrophobicContact CB-CB 4.01Å; C192-A196 WeakPolarHBondContact CB-O 3.27Å; L193-A196 VanDerWaalsContact O-CB 3.27Å; L193-A196 WeakPolarHBondContact O-CB 3.4Å; L193-A196 PolarHBondContact O-N 2.02Å; A196-C203 HydrophobicContact CB-CB 4.36Å; A196-I204 CarbonylContact C-O 3.57Å; A196-I204 VanDerWaalsContact CA-O 3.25Å; A196-I204 WeakPolarHBondContact CA-O 2.99Å; A196-I204 WeakPolarHBondContact CB-O 3.38Å; A196-K205 HydrophobicContact CB-CB 4.08Å | ||
| 197 | V | 91.4 | Very high | 88.8 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 151.5 | 176.6 | -61.5 | 0 | 0 | 0 | 0 | 109.7 | L171 K199 C203 I204 | L171-V197 HydrophobicContact CD1-CG2 3.68Å; L171-V197 HydrophobicContact CD2-CG2 3.33Å; L171-V197 HydrophobicContact CG-CG2 4.16Å; V197-K199 PolarHBondContact O-N 3.18Å; V197-C203 WeakPolarHBondContact O-CA 3.32Å; V197-I204 HydrophobicContact CG2-CG1 4.42Å; V197-I204 PolarHBondContact N-O 2.04Å; V197-I204 PolarHBondContact O-N 3.21Å |
| 198 | C | 93.3 | Very high | 87.4 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 18% | 0.176 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 112.1 | 179 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | C186 A188 N189 | C186-C198 HydrophobicContact CB-CB 3.84Å; C186-C198 WeakPolarHBondContact CB-SG 3.38Å; C186-C198 PolarHBondContact O-SG 3.04Å; C186-C198 WeakPolarHBondContact SG-CA 3.41Å; C186-C198 WeakPolarHBondContact SG-CB 3.05Å; C186-C198 CovalentContact SG-SG 2.02Å; C186-C198 PolarHBondContact SG-SG 3.49Å; A188-C198 WeakPolarHBondContact O-CB 2.94Å; N189-C198 WeakPolarHBondContact OD1-CB 3.28Å; N189-C198 PolarHBondContact OD1-N 2.87Å |
| 199 | K | 90.8 | Very high | 85.6 | Confident | 17 Ų | 17 | 69.6 Ų | 69.6 | 7% | 0.074 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 132.8 | 177.4 | -176.2 | 171.6 | 179.6 | -173.3 | 0 | 110.5 | H163 C166 G168 K170 L171 V197 G201 R202 I204 | H163-K199 WeakPolarHBondContact O-CE 3.48Å; H163-K199 PolarHBondContact O-NZ 2.77Å; C166-K199 PolarHBondContact O-NZ 2.94Å; G168-K199 WeakPolarHBondContact O-CE 3.05Å; G168-K199 PolarHBondContact O-NZ 2.8Å; K170-K199 PolarHBondContact O-NZ 2.97Å; L171-K199 HydrophobicContact CD2-CD 4.06Å; V197-K199 PolarHBondContact O-N 3.18Å; K199-G201 PolarHBondContact O-N 2.86Å; K199-R202 PolarHBondContact N-O 2.93Å; K199-R202 PolarHBondContact O-N 3.22Å; K199-R202 VanDerWaalsContact O-O 3.06Å; K199-I204 HydrophobicContact CB-CD1 3.71Å; K199-I204 HydrophobicContact CB-CG1 3.96Å; K199-I204 HydrophobicContact CD-CD1 4.02Å; K199-I204 HydrophobicContact CG-CD1 4.24Å |
| 200 | L | 89 | Confident | 84 | Confident | 124 Ų | 124 | 67.6 Ų | 67.6 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 39.8 | -175.7 | -59.9 | 174.7 | 0 | 0 | 0 | 112.6 | G168 L169 R202 | G168-L200 WeakPolarHBondContact O-CD1 2.93Å; L169-L200 HydrophobicContact CD2-CB 4.28Å; L169-L200 HydrophobicContact CD2-CD1 4.13Å; L200-R202 VanDerWaalsContact C-N 3.27Å; L200-R202 PolarHBondContact O-N 2.83Å |
| 201 | G | 91.4 | Very high | 82.8 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 38% | 0.381 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 15.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | T185 C186 K199 | T185-G201 VanDerWaalsContact CA-O 3.31Å; T185-G201 WeakPolarHBondContact CA-O 3.28Å; C186-G201 PolarHBondContact N-O 2.77Å; C186-G201 CarbonylContact O-C 3.55Å; C186-G201 WeakPolarHBondContact O-CA 3.2Å; C186-G201 VanDerWaalsContact SG-C 3.58Å; K199-G201 PolarHBondContact O-N 2.86Å |
| 202 | R | 90.8 | Very high | 82.3 | Confident | 110 Ų | 110 | 63.5 Ų | 63.5 | 42% | 0.415 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 133.2 | -176.5 | -55.7 | 177.5 | 87.8 | 176.6 | 2.8 | 111.4 | I184 C186 K199 L200 I204 | I184-R202 CarbonylContact O-C 3.55Å; I184-R202 VanDerWaalsContact O-CA 3.28Å; I184-R202 WeakPolarHBondContact O-CA 3.42Å; C186-R202 PolarHBondContact SG-N 2.79Å; C186-R202 VanDerWaalsContact SG-N 3.38Å; K199-R202 PolarHBondContact N-O 2.93Å; K199-R202 PolarHBondContact O-N 3.22Å; K199-R202 VanDerWaalsContact O-O 3.06Å; L200-R202 VanDerWaalsContact C-N 3.27Å; L200-R202 PolarHBondContact O-N 2.83Å; R202-I204 HydrophobicContact CB-CG2 4.16Å; R202-I204 PolarHBondContact O-N 3.11Å |
| 203 | C | 91.5 | Very high | 82.1 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.02 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 106.4 | 170.5 | -70.6 | 0 | 0 | 0 | 0 | 109.6 | L182 A183 I184 C186 C192 A196 V197 | L182-C203 CarbonylContact C-O 3.52Å; L182-C203 WeakPolarHBondContact CB-O 3.1Å; A183-C203 PolarHBondContact N-O 3.14Å; A183-C203 VanDerWaalsContact N-O 3.17Å; I184-C203 HydrophobicContact CB-CB 4.49Å; I184-C203 PolarHBondContact O-N 2.77Å; C186-C203 WeakPolarHBondContact CB-SG 3.16Å; C186-C203 PolarHBondContact SG-N 3.17Å; C192-C203 WeakPolarHBondContact CA-SG 3.37Å; C192-C203 HydrophobicContact CB-CB 3.74Å; C192-C203 WeakPolarHBondContact CB-SG 3.46Å; C192-C203 WeakPolarHBondContact SG-CA 3.47Å; C192-C203 WeakPolarHBondContact SG-CB 3.47Å; C192-C203 CovalentContact SG-SG 2.04Å; C192-C203 PolarHBondContact SG-SG 2.85Å; A196-C203 HydrophobicContact CB-CB 4.36Å; V197-C203 WeakPolarHBondContact O-CA 3.32Å |
| 204 | I | 89.3 | Confident | 82.2 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147.6 | -177.6 | 58 | 162.5 | 0 | 0 | 0 | 109.6 | L169 L171 A180 V181 L182 A196 V197 K199 R202 | L169-I204 HydrophobicContact CB-CD1 4.41Å; L169-I204 HydrophobicContact CD2-CG2 4.25Å; L169-I204 WeakPolarHBondContact O-CD1 3.39Å; L171-I204 HydrophobicContact CD1-CD1 4.27Å; L171-I204 HydrophobicContact CD1-CG1 4.14Å; L171-I204 HydrophobicContact CD2-CD1 3.55Å; L171-I204 HydrophobicContact CD2-CG1 3.96Å; L171-I204 HydrophobicContact CG-CD1 3.75Å; L171-I204 HydrophobicContact CG-CG1 4.16Å; A180-I204 HydrophobicContact CB-CB 3.88Å; A180-I204 HydrophobicContact CB-CD1 3.85Å; A180-I204 HydrophobicContact CB-CG1 4.28Å; V181-I204 CarbonylContact O-C 3.51Å; L182-I204 WeakPolarHBondContact O-CA 3Å; L182-I204 WeakPolarHBondContact O-CG2 3.43Å; A196-I204 CarbonylContact C-O 3.57Å; A196-I204 VanDerWaalsContact CA-O 3.25Å; A196-I204 WeakPolarHBondContact CA-O 2.99Å; A196-I204 WeakPolarHBondContact CB-O 3.38Å; V197-I204 HydrophobicContact CG2-CG1 4.42Å; V197-I204 PolarHBondContact N-O 2.04Å; V197-I204 PolarHBondContact O-N 3.21Å; K199-I204 HydrophobicContact CB-CD1 3.71Å; K199-I204 HydrophobicContact CB-CG1 3.96Å; K199-I204 HydrophobicContact CD-CD1 4.02Å; K199-I204 HydrophobicContact CG-CD1 4.24Å; R202-I204 HydrophobicContact CB-CG2 4.16Å; R202-I204 PolarHBondContact O-N 3.11Å |
| 205 | K | 87.8 | Confident | 82.5 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 152.7 | 173.3 | 63.4 | 177.9 | -178.1 | 176.8 | 0 | 109.4 | A180 V181 L182 P195 A196 A207 | A180-K205 CarbonylContact C-O 3.57Å; A180-K205 WeakPolarHBondContact CA-O 3.03Å; A180-K205 VanDerWaalsContact CB-O 3.23Å; A180-K205 WeakPolarHBondContact CB-O 3Å; V181-K205 HydrophobicContact CG2-CG 4.22Å; V181-K205 PolarHBondContact N-O 2.93Å; V181-K205 WeakPolarHBondContact O-CG 3.3Å; V181-K205 PolarHBondContact O-N 3.44Å; L182-K205 HydrophobicContact CB-CG 4.25Å; P195-K205 HydrophobicContact CG-CD 4.48Å; A196-K205 HydrophobicContact CB-CB 4.08Å; K205-A207 PolarHBondContact O-N 2.03Å |
| 206 | I | 83.5 | Confident | 82.6 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 130.1 | -179.9 | -64.8 | 159.2 | 0 | 0 | 0 | 109.7 | L171 S173 L178 S208 | L171-I206 HydrophobicContact CB-CG1 3.91Å; L171-I206 HydrophobicContact CD1-CG1 4.17Å; S173-I206 VanDerWaalsContact CB-CD1 3.45Å; S173-I206 WeakPolarHBondContact OG-CD1 2.88Å; L178-I206 HydrophobicContact CB-CG2 3.88Å; L178-I206 HydrophobicContact CD1-CD1 4.35Å; L178-I206 HydrophobicContact CD1-CG2 3.61Å; L178-I206 HydrophobicContact CG-CG2 4.41Å; I206-S208 VanDerWaalsContact C-N 3.27Å; I206-S208 PolarHBondContact O-N 3.08Å |
| 207 | A | 73.7 | Confident | 82.5 | Confident | 35 Ų | 35 | 65.9 Ų | 65.9 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | trans | -62.1 | 90.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | E179 V181 K205 K209 | E179-A207 HydrophobicContact CB-CB 4.12Å; E179-A207 WeakPolarHBondContact O-CB 3.33Å; E179-A207 PolarHBondContact O-N 2.93Å; V181-A207 HydrophobicContact CG1-CB 3.71Å; V181-A207 HydrophobicContact CG2-CB 4.43Å; K205-A207 PolarHBondContact O-N 2.03Å; A207-K209 PolarHBondContact O-N 3.29Å | ||
| 208 | S | 65.1 | Low | 82.1 | Confident | 106 Ų | 106 | 65 Ų | 65 | 74% | 0.741 | 36% | 0.356 | S | S | * | . | trans | -66.4 | 108.2 | 169.9 | -57.3 | 0 | 0 | 0 | 0 | 106.2 | I206 P210 | I206-S208 VanDerWaalsContact C-N 3.27Å; I206-S208 PolarHBondContact O-N 3.08Å; S208-P210 WeakPolarHBondContact O-CD 3.48Å | ||
| 209 | K | 56.6 | Low | 81.4 | Confident | 158 Ų | 158 | 68 Ų | 68 | 69% | 0.687 | 38% | 0.375 | S | S | * | . | trans | -62.4 | 128.8 | 170.2 | -170.2 | -174 | 176.8 | -179.1 | 0 | 107 | A207 Q211 | A207-K209 PolarHBondContact O-N 3.29Å; K209-Q211 PolarHBondContact O-N 2.79Å | ||
| 210 | P | 57.6 | Low | 81 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 36% | 0.357 | 40% | 0.399 | S | S | . | . | trans | -46 | 119.7 | 162.2 | -18.2 | 21 | 0 | 0 | 0 | 107.8 | S208 C212 E228 | S208-P210 WeakPolarHBondContact O-CD 3.48Å; P210-C212 PolarHBondContact O-N 2.83Å; P210-E228 HydrophobicContact CB-CB 3.88Å; P210-E228 HydrophobicContact CB-CG 4.26Å; P210-E228 WeakPolarHBondContact CB-OE2 3.37Å; P210-E228 VanDerWaalsContact CG-OE2 3.23Å; P210-E228 WeakPolarHBondContact CG-OE2 3.36Å | ||
| 211 | Q | 66.6 | Low | 80.8 | Confident | 124 Ų | 124 | 68 Ų | 68 | 58% | 0.579 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -67.7 | -24.3 | 175.1 | -64.7 | -65.6 | -62.7 | 0 | 0 | 110 | K209 E228 | K209-Q211 PolarHBondContact O-N 2.79Å; Q211-E228 WeakPolarHBondContact CA-O 3.08Å; Q211-E228 VanDerWaalsContact CB-O 3.31Å; Q211-E228 WeakPolarHBondContact CB-O 3.37Å; Q211-E228 PolarHBondContact N-O 3.05Å |
| 212 | C | 81.3 | Confident | 80.7 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.02 | 39% | 0.389 | C | S | . | . | trans | -157.4 | 153.1 | 179.4 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | P210 D217 C218 C224 E228 | P210-C212 PolarHBondContact O-N 2.83Å; C212-D217 HydrophobicContact CB-CB 3.77Å; C212-C218 VanDerWaalsContact CB-SG 3.52Å; C212-C224 HydrophobicContact CB-CB 3.61Å; C212-C224 WeakPolarHBondContact CB-SG 3.1Å; C212-C224 PolarHBondContact O-SG 2.85Å; C212-C224 WeakPolarHBondContact SG-CA 3.44Å; C212-C224 WeakPolarHBondContact SG-CB 3.34Å; C212-C224 CovalentContact SG-SG 2.02Å; C212-C224 PolarHBondContact SG-SG 3.22Å; C212-E228 PolarHBondContact N-O 3.21Å; C212-E228 WeakPolarHBondContact O-CB 3.36Å; C212-E228 PolarHBondContact SG-O 2.78Å; C212-E228 VanDerWaalsContact SG-O 3.41Å | ||
| 213 | T | 84.9 | Confident | 80.6 | Confident | 110 Ų | 110 | 65 Ų | 65 | 68% | 0.675 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -113.4 | -23.7 | 168.8 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | D217 | T213-D217 WeakPolarHBondContact CA-OD2 3.49Å; T213-D217 PolarHBondContact N-OD2 2.89Å; T213-D217 PolarHBondContact OG1-OD2 3.26Å |
| 214 | K | 87.8 | Confident | 80.5 | Confident | 125 Ų | 125 | 65.3 Ų | 65.3 | 54% | 0.543 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -139.2 | 158.6 | 175.8 | 54.6 | -179.7 | 176.9 | -174.7 | 0 | 109.8 | A216 D217 | K214-A216 HydrophobicContact CD-CB 4.19Å; K214-A216 HydrophobicContact CG-CB 4.25Å; K214-A216 PolarHBondContact O-N 3.46Å; K214-A216 VanDerWaalsContact O-N 3.07Å; K214-D217 WeakPolarHBondContact CE-OD1 3.01Å; K214-D217 VanDerWaalsContact CG-CG 3.43Å; K214-D217 VanDerWaalsContact CG-OD1 3.27Å; K214-D217 WeakPolarHBondContact CG-OD1 3.4Å; K214-D217 VanDerWaalsContact CG-OD2 3.28Å; K214-D217 WeakPolarHBondContact CG-OD2 3.45Å; K214-D217 PolarHBondContact N-OD2 3.22Å; K214-D217 WeakPolarHBondContact O-CB 3.4Å; K214-D217 PolarHBondContact O-N 2.04Å |
| 215 | H | 89.6 | Confident | 80.6 | Confident | 51 Ų | 51 | 66.7 Ų | 66.7 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -59.5 | -25.6 | -179.5 | -51.6 | -62.4 | 0 | 0 | 0 | 113.5 | D217 C218 L223 C224 V250 K252 | H215-D217 PolarHBondContact O-N 3.17Å; H215-C218 PolarHBondContact O-N 2.7Å; H215-L223 HydrophobicContact CB-CD2 4.09Å; H215-C224 PolarHBondContact CE1-O 2.83Å; H215-C224 PolarHBondContact ND1-N 3.35Å; H215-C224 PolarHBondContact ND1-O 3.41Å; H215-C224 VanDerWaalsContact ND1-O 3.12Å; H215-V250 WeakPolarHBondContact NE2-CG1 3.42Å; H215-K252 HydrophobicContact CB-CD 4.37Å; H215-K252 WeakPolarHBondContact O-CD 3.2Å; H215-K252 WeakPolarHBondContact O-CE 3.48Å; H215-K252 PolarHBondContact O-NZ 3.46Å |
| 216 | A | 84.3 | Confident | 80.5 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 61% | 0.612 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -68.1 | -19.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K214 C218 | K214-A216 HydrophobicContact CD-CB 4.19Å; K214-A216 HydrophobicContact CG-CB 4.25Å; K214-A216 PolarHBondContact O-N 3.46Å; K214-A216 VanDerWaalsContact O-N 3.07Å; A216-C218 VanDerWaalsContact C-N 3.27Å |
| 217 | D | 85.4 | Confident | 80.6 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 35% | 0.353 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -76.1 | -20.3 | 177.8 | -56.4 | -25.5 | 0 | 0 | 0 | 111.6 | C212 T213 K214 H215 | C212-D217 HydrophobicContact CB-CB 3.77Å; T213-D217 WeakPolarHBondContact CA-OD2 3.49Å; T213-D217 PolarHBondContact N-OD2 2.89Å; T213-D217 PolarHBondContact OG1-OD2 3.26Å; K214-D217 WeakPolarHBondContact CE-OD1 3.01Å; K214-D217 VanDerWaalsContact CG-CG 3.43Å; K214-D217 VanDerWaalsContact CG-OD1 3.27Å; K214-D217 WeakPolarHBondContact CG-OD1 3.4Å; K214-D217 VanDerWaalsContact CG-OD2 3.28Å; K214-D217 WeakPolarHBondContact CG-OD2 3.45Å; K214-D217 PolarHBondContact N-OD2 3.22Å; K214-D217 WeakPolarHBondContact O-CB 3.4Å; K214-D217 PolarHBondContact O-N 2.04Å; H215-D217 PolarHBondContact O-N 3.17Å |
| 218 | C | 83.2 | Confident | 81.1 | Confident | 5 Ų | 5 | 75.6 Ų | 75.6 | 3% | 0.034 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -81.8 | 134.7 | -179.1 | -68.3 | 0 | 0 | 0 | 0 | 111.7 | C212 H215 A216 K222 C224 C230 K252 | C212-C218 VanDerWaalsContact CB-SG 3.52Å; H215-C218 PolarHBondContact O-N 2.7Å; A216-C218 VanDerWaalsContact C-N 3.27Å; C218-K222 HydrophobicContact CB-CB 3.89Å; C218-K222 VanDerWaalsContact CB-O 3.23Å; C218-K222 WeakPolarHBondContact CB-O 3.38Å; C218-C224 PolarHBondContact SG-N 2.89Å; C218-C224 VanDerWaalsContact SG-N 3.42Å; C218-C230 WeakPolarHBondContact CA-SG 3.47Å; C218-C230 HydrophobicContact CB-CB 3.74Å; C218-C230 WeakPolarHBondContact CB-SG 3.13Å; C218-C230 WeakPolarHBondContact SG-CA 3.35Å; C218-C230 WeakPolarHBondContact SG-CB 3.39Å; C218-C230 CovalentContact SG-SG 2.04Å; C218-C230 PolarHBondContact SG-SG 2.66Å; C218-K252 WeakPolarHBondContact O-CE 3.39Å; C218-K252 PolarHBondContact O-NZ 2.82Å |
| 219 | P | 78.5 | Confident | 82.2 | Confident | 90 Ų | 90 | 73.9 Ų | 73.9 | 58% | 0.584 | 41% | 0.411 | S | S | * | . | trans | -70.9 | 150.2 | 177.9 | 29 | -34.4 | 0 | 0 | 0 | 111.9 | N221 K222 | P219-N221 PolarHBondContact O-N 3.24Å; P219-K222 WeakPolarHBondContact O-CB 2.97Å; P219-K222 PolarHBondContact O-N 2.72Å | ||
| 220 | G | 82 | Confident | 83.6 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -130.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K222 K252 | G220-K222 VanDerWaalsContact C-N 3.32Å; G220-K222 PolarHBondContact O-N 3.22Å; G220-K252 PolarHBondContact O-NZ 3.21Å |
| 221 | N | 85.8 | Confident | 85.2 | Confident | 84 Ų | 84 | 67 Ų | 67 | 45% | 0.449 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 9.1 | -178.9 | 64.5 | -34.2 | 0 | 0 | 0 | 114.6 | P219 G233 W257 | P219-N221 PolarHBondContact O-N 3.24Å; N221-G233 VanDerWaalsContact O-CA 3.28Å; N221-G233 WeakPolarHBondContact O-CA 2.94Å; N221-G233 PolarHBondContact O-N 3Å; N221-W257 HydrophobicContact CB-CE3 4.4Å; N221-W257 HydrophobicContact CB-CH2 3.81Å; N221-W257 HydrophobicContact CB-CZ3 3.49Å; N221-W257 VanDerWaalsContact CB-CZ3 3.49Å |
| 222 | K | 88.4 | Confident | 86.4 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 37% | 0.365 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 148.2 | -177.5 | -63.8 | -178.5 | 177.9 | -169.4 | 0 | 112.6 | C218 P219 G220 C230 V231 K252 | C218-K222 HydrophobicContact CB-CB 3.89Å; C218-K222 VanDerWaalsContact CB-O 3.23Å; C218-K222 WeakPolarHBondContact CB-O 3.38Å; P219-K222 WeakPolarHBondContact O-CB 2.97Å; P219-K222 PolarHBondContact O-N 2.72Å; G220-K222 VanDerWaalsContact C-N 3.32Å; G220-K222 PolarHBondContact O-N 3.22Å; K222-C230 HydrophobicContact CB-CB 4.01Å; K222-C230 HydrophobicContact CD-CB 4.04Å; K222-V231 CarbonylContact C-O 3.45Å; K222-V231 WeakPolarHBondContact CA-O 3.34Å; K222-V231 WeakPolarHBondContact CB-O 3.47Å; K222-K252 PolarHBondContact O-NZ 3.47Å |
| 223 | L | 90 | Very high | 86.9 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 143.8 | 175.3 | -63.4 | 180 | 0 | 0 | 0 | 110.5 | H215 N225 C230 V231 V250 K252 W257 F259 | H215-L223 HydrophobicContact CB-CD2 4.09Å; L223-N225 PolarHBondContact O-N 3.34Å; L223-C230 WeakPolarHBondContact O-CA 3.34Å; L223-V231 PolarHBondContact N-O 2.89Å; L223-V231 WeakPolarHBondContact O-CG2 3.04Å; L223-V231 PolarHBondContact O-N 3.4Å; L223-V250 HydrophobicContact CD1-CG2 3.64Å; L223-V250 HydrophobicContact CD2-CG2 3.59Å; L223-V250 HydrophobicContact CG-CG2 4.19Å; L223-K252 HydrophobicContact CD2-CB 4.42Å; L223-K252 HydrophobicContact CD2-CD 4.01Å; L223-W257 HydrophobicContact CD1-CB 3.82Å; L223-W257 HydrophobicContact CD2-CB 3.84Å; L223-W257 HydrophobicContact CD2-CG 4.23Å; L223-W257 HydrophobicContact CG-CB 4.23Å; L223-F259 HydrophobicContact CB-CD1 3.94Å; L223-F259 HydrophobicContact CB-CE1 3.49Å; L223-F259 VanDerWaalsContact CB-CE1 3.49Å; L223-F259 HydrophobicContact CB-CZ 4.08Å; L223-F259 HydrophobicContact CD1-CD1 4.16Å; L223-F259 HydrophobicContact CD1-CE1 4.27Å; L223-F259 HydrophobicContact CD1-CG 4.35Å |
| 224 | C | 89.9 | Confident | 87.3 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 116.8 | 170.8 | -162.2 | 0 | 0 | 0 | 0 | 110.5 | C212 H215 C218 F259 | C212-C224 HydrophobicContact CB-CB 3.61Å; C212-C224 WeakPolarHBondContact CB-SG 3.1Å; C212-C224 PolarHBondContact O-SG 2.85Å; C212-C224 WeakPolarHBondContact SG-CA 3.44Å; C212-C224 WeakPolarHBondContact SG-CB 3.34Å; C212-C224 CovalentContact SG-SG 2.02Å; C212-C224 PolarHBondContact SG-SG 3.22Å; H215-C224 PolarHBondContact CE1-O 2.83Å; H215-C224 PolarHBondContact ND1-N 3.35Å; H215-C224 PolarHBondContact ND1-O 3.41Å; H215-C224 VanDerWaalsContact ND1-O 3.12Å; C218-C224 PolarHBondContact SG-N 2.89Å; C218-C224 VanDerWaalsContact SG-N 3.42Å; C224-F259 WeakPolarHBondContact O-CZ 3.49Å |
| 225 | N | 90.4 | Very high | 87.4 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 17% | 0.166 | 37% | 0.367 | C | S | . | . | trans | -84.4 | 175.7 | 172.4 | 74.5 | 1.5 | 0 | 0 | 0 | 111.4 | L223 Q227 E228 N229 V231 F259 | L223-N225 PolarHBondContact O-N 3.34Å; N225-Q227 PolarHBondContact ND2-OE1 3.24Å; N225-Q227 PolarHBondContact O-N 2.74Å; N225-Q227 WeakPolarHBondContact OD1-CA 3.17Å; N225-Q227 WeakPolarHBondContact OD1-CB 3.16Å; N225-Q227 PolarHBondContact OD1-N 2.84Å; N225-E228 PolarHBondContact O-N 3.3Å; N225-E228 PolarHBondContact OD1-N 3.22Å; N225-N229 PolarHBondContact N-O 3.31Å; N225-N229 WeakPolarHBondContact OD1-CB 3.15Å; N225-N229 PolarHBondContact OD1-N 3.35Å; N225-N229 PolarHBondContact OD1-O 3.02Å; N225-V231 HydrophobicContact CB-CG2 3.97Å; N225-F259 HydrophobicContact CB-CE1 3.81Å; N225-F259 HydrophobicContact CB-CZ 4.08Å | ||
| 226 | S | 85.9 | Confident | 87.5 | Confident | 122 Ų | 122 | 64.8 Ų | 64.8 | 85% | 0.853 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.5 | 178.5 | 53.2 | 0 | 0 | 0 | 0 | 114.3 | E228 | S226-E228 VanDerWaalsContact C-N 3.26Š|
| 227 | Q | 84.9 | Confident | 87.7 | Confident | 141 Ų | 141 | 67 Ų | 67 | 66% | 0.659 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 14.2 | 174.4 | -58.7 | 172.8 | -56.2 | 0 | 0 | 111.9 | N225 N229 | N225-Q227 PolarHBondContact ND2-OE1 3.24Å; N225-Q227 PolarHBondContact O-N 2.74Å; N225-Q227 WeakPolarHBondContact OD1-CA 3.17Å; N225-Q227 WeakPolarHBondContact OD1-CB 3.16Å; N225-Q227 PolarHBondContact OD1-N 2.84Å; Q227-N229 PolarHBondContact O-N 2.8Å; Q227-N229 PolarHBondContact O-ND2 2.76Å |
| 228 | E | 85.8 | Confident | 87.7 | Confident | 92 Ų | 92 | 65.7 Ų | 65.7 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 60 | 28.1 | 179.3 | -57.7 | 178.3 | 157.6 | 0 | 0 | 113.3 | P210 Q211 C212 N225 S226 | P210-E228 HydrophobicContact CB-CB 3.88Å; P210-E228 HydrophobicContact CB-CG 4.26Å; P210-E228 WeakPolarHBondContact CB-OE2 3.37Å; P210-E228 VanDerWaalsContact CG-OE2 3.23Å; P210-E228 WeakPolarHBondContact CG-OE2 3.36Å; Q211-E228 WeakPolarHBondContact CA-O 3.08Å; Q211-E228 VanDerWaalsContact CB-O 3.31Å; Q211-E228 WeakPolarHBondContact CB-O 3.37Å; Q211-E228 PolarHBondContact N-O 3.05Å; C212-E228 PolarHBondContact N-O 3.21Å; C212-E228 WeakPolarHBondContact O-CB 3.36Å; C212-E228 PolarHBondContact SG-O 2.78Å; C212-E228 VanDerWaalsContact SG-O 3.41Å; N225-E228 PolarHBondContact O-N 3.3Å; N225-E228 PolarHBondContact OD1-N 3.22Å; S226-E228 VanDerWaalsContact C-N 3.26Å |
| 229 | N | 87 | Confident | 88 | Confident | 71 Ų | 71 | 69.1 Ų | 69.1 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | trans | -108.6 | 140 | 179.1 | -67 | -50.1 | 0 | 0 | 0 | 111.4 | N225 Q227 V231 | N225-N229 PolarHBondContact N-O 3.31Å; N225-N229 WeakPolarHBondContact OD1-CB 3.15Å; N225-N229 PolarHBondContact OD1-N 3.35Å; N225-N229 PolarHBondContact OD1-O 3.02Å; Q227-N229 PolarHBondContact O-N 2.8Å; Q227-N229 PolarHBondContact O-ND2 2.76Å; N229-V231 HydrophobicContact CB-CG1 4.5Å; N229-V231 PolarHBondContact O-N 3.46Å | ||
| 230 | C | 86.8 | Confident | 88.5 | Confident | 28 Ų | 28 | 64.9 Ų | 64.9 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 100 | 173.3 | -67.6 | 0 | 0 | 0 | 0 | 110.7 | C218 K222 L223 | C218-C230 WeakPolarHBondContact CA-SG 3.47Å; C218-C230 HydrophobicContact CB-CB 3.74Å; C218-C230 WeakPolarHBondContact CB-SG 3.13Å; C218-C230 WeakPolarHBondContact SG-CA 3.35Å; C218-C230 WeakPolarHBondContact SG-CB 3.39Å; C218-C230 CovalentContact SG-SG 2.04Å; C218-C230 PolarHBondContact SG-SG 2.66Å; K222-C230 HydrophobicContact CB-CB 4.01Å; K222-C230 HydrophobicContact CD-CB 4.04Å; L223-C230 WeakPolarHBondContact O-CA 3.34Å |
| 231 | V | 91.5 | Very high | 88.7 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 155.7 | 179.4 | -66.6 | 0 | 0 | 0 | 0 | 111 | K222 L223 N225 N229 G233 F259 | K222-V231 CarbonylContact C-O 3.45Å; K222-V231 WeakPolarHBondContact CA-O 3.34Å; K222-V231 WeakPolarHBondContact CB-O 3.47Å; L223-V231 PolarHBondContact N-O 2.89Å; L223-V231 WeakPolarHBondContact O-CG2 3.04Å; L223-V231 PolarHBondContact O-N 3.4Å; N225-V231 HydrophobicContact CB-CG2 3.97Å; N229-V231 HydrophobicContact CB-CG1 4.5Å; N229-V231 PolarHBondContact O-N 3.46Å; V231-G233 PolarHBondContact O-N 3.16Å; V231-F259 HydrophobicContact CG2-CD1 3.38Å; V231-F259 HydrophobicContact CG2-CE1 3.47Å; V231-F259 VanDerWaalsContact CG2-CE1 3.47Å |
| 232 | P | 91.2 | Very high | 88.2 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 49% | 0.494 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 133.7 | 179.1 | -25.3 | 35.5 | 0 | 0 | 0 | 113.2 | A260 | P232-A260 HydrophobicContact CB-CB 4.12Å; P232-A260 WeakPolarHBondContact O-CB 3.43Å; P232-A260 PolarHBondContact O-N 3.02Å |
| 233 | G | 91.4 | Very high | 87.8 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 6% | 0.062 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 150.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | N221 V231 I258 | N221-G233 VanDerWaalsContact O-CA 3.28Å; N221-G233 WeakPolarHBondContact O-CA 2.94Å; N221-G233 PolarHBondContact O-N 3Å; V231-G233 PolarHBondContact O-N 3.16Å; G233-I258 CarbonylContact C-O 3.56Å; G233-I258 WeakPolarHBondContact CA-O 3.02Å |
| 234 | R | 93.4 | Very high | 87.5 | Confident | 103 Ų | 103 | 74.9 Ų | 74.9 | 39% | 0.389 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.3 | 172.7 | -176.7 | 177.8 | 72.5 | 178.3 | 4.1 | 109.3 | W257 I258 Q264 | R234-W257 CarbonylContact O-C 3.59Å; R234-W257 WeakPolarHBondContact O-CA 3.31Å; R234-I258 HydrophobicContact CB-CG1 4.23Å; R234-I258 PolarHBondContact N-O 2.76Å; R234-I258 VanDerWaalsContact NH2-CD1 3.35Å; R234-I258 PolarHBondContact O-N 2.91Å; R234-Q264 PolarHBondContact NH2-O 2.85Å |
| 235 | R | 90.5 | Very high | 87.3 | Confident | 152 Ų | 152 | 84.8 Ų | 84.8 | 57% | 0.574 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 136.2 | 174 | -179.9 | -176.7 | 163 | -155.9 | -4 | 109.6 | C256 W257 | R235-C256 WeakPolarHBondContact CA-O 3.44Å; R235-W257 HydrophobicContact CB-CD2 4.49Å; R235-W257 HydrophobicContact CB-CE3 4.12Å; R235-W257 HydrophobicContact CB-CH2 4.34Å; R235-W257 HydrophobicContact CB-CZ3 4.02Å |
| 236 | V | 91.4 | Very high | 87.2 | Confident | 31 Ų | 31 | 84.2 Ų | 84.2 | 19% | 0.188 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 167.9 | 169.7 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | G238 C256 I258 | V236-G238 PolarHBondContact O-N 2.75Å; V236-C256 HydrophobicContact CG2-CB 3.51Å; V236-C256 WeakPolarHBondContact CG2-O 2.89Å; V236-C256 PolarHBondContact N-O 3.33Å; V236-I258 HydrophobicContact CG1-CB 4.4Å; V236-I258 HydrophobicContact CG1-CD1 3.88Å; V236-I258 HydrophobicContact CG1-CG1 3.84Å; V236-I258 HydrophobicContact CG1-CG2 3.82Å; V236-I258 HydrophobicContact CG2-CG2 4.41Å |
| 237 | S | 87.8 | Confident | 87.3 | Confident | 119 Ų | 119 | 85.7 Ų | 85.7 | 83% | 0.832 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 132.3 | 174.2 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 238 | G | 85.8 | Confident | 87.4 | Confident | 40 Ų | 40 | 82.6 Ų | 82.6 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.1 | 135 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V236 C256 | V236-G238 PolarHBondContact O-N 2.75Å; G238-C256 PolarHBondContact O-N 2.93Å; G238-C256 VanDerWaalsContact O-N 3.15Å |
| 239 | S | 89 | Confident | 87.5 | Confident | 77 Ų | 77 | 80 Ų | 80 | 54% | 0.538 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 150.1 | 161.2 | 54.3 | 0 | 0 | 0 | 0 | 109.3 | N254 | S239-N254 CarbonylContact C-O 3.49Å; S239-N254 WeakPolarHBondContact CA-O 3.28Å; S239-N254 WeakPolarHBondContact CB-O 3.38Å |
| 240 | C | 90.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 45% | 0.45 | C | S | . | . | trans | -129.8 | 156.4 | 178.6 | 58.2 | 0 | 0 | 0 | 0 | 110 | Q244 C251 N254 F255 | C240-Q244 WeakPolarHBondContact CA-O 3.44Å; C240-Q244 VanDerWaalsContact CB-O 3.29Å; C240-Q244 WeakPolarHBondContact CB-O 2.75Å; C240-C251 HydrophobicContact CB-CB 3.62Å; C240-C251 WeakPolarHBondContact CB-SG 3.48Å; C240-C251 WeakPolarHBondContact SG-CA 2.97Å; C240-C251 WeakPolarHBondContact SG-CB 3.39Å; C240-C251 CovalentContact SG-SG 2.01Å; C240-C251 PolarHBondContact SG-SG 3.48Å; C240-N254 PolarHBondContact N-O 2.02Å; C240-N254 WeakPolarHBondContact O-CA 3.31Å; C240-N254 WeakPolarHBondContact O-CB 3.34Å; C240-F255 VanDerWaalsContact SG-C 3.58Å; C240-F255 PolarHBondContact SG-O 2.03Å | ||
| 241 | T | 85.5 | Confident | 87.8 | Confident | 55 Ų | 55 | 79.7 Ų | 79.7 | 34% | 0.337 | 46% | 0.458 | S | S | . | . | trans | -130.4 | 171.7 | 174.9 | 68.1 | 0 | 0 | 0 | 0 | 108.2 | T243 Q244 | T241-T243 PolarHBondContact O-N 3.45Å; T241-T243 PolarHBondContact OG1-N 3.01Å; T241-T243 PolarHBondContact OG1-OG1 3.37Å; T241-T243 VanDerWaalsContact OG1-OG1 3.05Å; T241-Q244 PolarHBondContact N-O 3.21Å; T241-Q244 CarbonylContact O-C 3.53Å; T241-Q244 PolarHBondContact O-N 3.38Å; T241-Q244 WeakPolarHBondContact OG1-CB 3.38Å; T241-Q244 PolarHBondContact OG1-N 3.24Å | ||
| 242 | P | 74.5 | Confident | 87.6 | Confident | 134 Ų | 134 | 78.3 Ų | 78.3 | 87% | 0.87 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -55 | -23 | 173.1 | -27.7 | 36.6 | 0 | 0 | 0 | 114 | ||
| 243 | T | 81.9 | Confident | 87.4 | Confident | 131 Ų | 131 | 80.4 Ų | 80.4 | 80% | 0.804 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -100.9 | -30.1 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | T241 | T241-T243 PolarHBondContact O-N 3.45Å; T241-T243 PolarHBondContact OG1-N 3.01Å; T241-T243 PolarHBondContact OG1-OG1 3.37Å; T241-T243 VanDerWaalsContact OG1-OG1 3.05Å |
| 244 | Q | 82.4 | Confident | 87.2 | Confident | 113 Ų | 113 | 85 Ų | 85 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -102 | 108.5 | 179.3 | -175.8 | 175.9 | -11.5 | 0 | 0 | 110.8 | C240 T241 | C240-Q244 WeakPolarHBondContact CA-O 3.44Å; C240-Q244 VanDerWaalsContact CB-O 3.29Å; C240-Q244 WeakPolarHBondContact CB-O 2.75Å; T241-Q244 PolarHBondContact N-O 3.21Å; T241-Q244 CarbonylContact O-C 3.53Å; T241-Q244 PolarHBondContact O-N 3.38Å; T241-Q244 WeakPolarHBondContact OG1-CB 3.38Å; T241-Q244 PolarHBondContact OG1-N 3.24Å |
| 245 | R | 85.5 | Confident | 87 | Confident | 218 Ų | 218 | 84.2 Ų | 84.2 | 82% | 0.823 | 48% | 0.478 | S | S | * | . | trans | -78.9 | 157.2 | 175.5 | -61.4 | -169.7 | 178.8 | 101.5 | 0.9 | 111.2 | ||||
| 246 | C | 88.9 | Confident | 87.2 | Confident | 20 Ų | 20 | 77.1 Ų | 77.1 | 14% | 0.135 | 45% | 0.452 | C | S | . | . | trans | -69 | 137.9 | 171.6 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | T248 C256 | C246-T248 WeakPolarHBondContact CB-O 3.01Å; C246-T248 PolarHBondContact O-N 3.27Å; C246-C256 WeakPolarHBondContact CA-SG 3.19Å; C246-C256 HydrophobicContact CB-CB 3.7Å; C246-C256 WeakPolarHBondContact CB-SG 3.37Å; C246-C256 WeakPolarHBondContact SG-CA 3.46Å; C246-C256 WeakPolarHBondContact SG-CB 3.2Å; C246-C256 CovalentContact SG-SG 2.03Å; C246-C256 PolarHBondContact SG-SG 2.8Å | ||
| 247 | T | 88.1 | Confident | 87.2 | Confident | 152 Ų | 152 | 77 Ų | 77 | 93% | 0.933 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -59.1 | -40 | 170.3 | -49.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 248 | T | 86.3 | Confident | 87.5 | Confident | 76 Ų | 76 | 72.1 Ų | 72.1 | 47% | 0.466 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -134 | 134.3 | 176.2 | -50.3 | 0 | 0 | 0 | 0 | 109.4 | C246 I258 | C246-T248 WeakPolarHBondContact CB-O 3.01Å; C246-T248 PolarHBondContact O-N 3.27Å; T248-I258 HydrophobicContact CG2-CG2 4.11Å |
| 249 | G | 89.4 | Confident | 87.8 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 40% | 0.402 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 85.6 | -157.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W257 | G249-W257 CarbonylContact C-O 3.49Å; G249-W257 WeakPolarHBondContact CA-O 3.27Å |
| 250 | V | 89.7 | Confident | 87.8 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145.5 | -169.8 | -59.2 | 0 | 0 | 0 | 0 | 111 | H215 L223 W257 | H215-V250 WeakPolarHBondContact NE2-CG1 3.42Å; L223-V250 HydrophobicContact CD1-CG2 3.64Å; L223-V250 HydrophobicContact CD2-CG2 3.59Å; L223-V250 HydrophobicContact CG-CG2 4.19Å; V250-W257 HydrophobicContact CG2-CB 4.32Å; V250-W257 PolarHBondContact N-O 3.18Å; V250-W257 PolarHBondContact O-N 3.32Å |
| 251 | C | 89.7 | Confident | 87.3 | Confident | 54 Ų | 54 | 78.2 Ų | 78.2 | 37% | 0.365 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 122.7 | 178.5 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | C240 | C240-C251 HydrophobicContact CB-CB 3.62Å; C240-C251 WeakPolarHBondContact CB-SG 3.48Å; C240-C251 WeakPolarHBondContact SG-CA 2.97Å; C240-C251 WeakPolarHBondContact SG-CB 3.39Å; C240-C251 CovalentContact SG-SG 2.01Å; C240-C251 PolarHBondContact SG-SG 3.48Å |
| 252 | K | 87.8 | Confident | 86.3 | Confident | 10 Ų | 10 | 78 Ų | 78 | 4% | 0.043 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 130.5 | 172.1 | -176.2 | -173.3 | 180 | -169.8 | 0 | 110 | H215 C218 G220 K222 L223 N254 F255 W257 | H215-K252 HydrophobicContact CB-CD 4.37Å; H215-K252 WeakPolarHBondContact O-CD 3.2Å; H215-K252 WeakPolarHBondContact O-CE 3.48Å; H215-K252 PolarHBondContact O-NZ 3.46Å; C218-K252 WeakPolarHBondContact O-CE 3.39Å; C218-K252 PolarHBondContact O-NZ 2.82Å; G220-K252 PolarHBondContact O-NZ 3.21Å; K222-K252 PolarHBondContact O-NZ 3.47Å; L223-K252 HydrophobicContact CD2-CB 4.42Å; L223-K252 HydrophobicContact CD2-CD 4.01Å; K252-N254 PolarHBondContact O-N 3.38Å; K252-F255 PolarHBondContact N-O 3.1Å; K252-F255 PolarHBondContact O-N 3.14Å; K252-F255 VanDerWaalsContact O-O 3.08Å; K252-W257 HydrophobicContact CB-CG 4.44Å; K252-W257 PolarHBondContact O-NE1 3.19Å |
| 253 | L | 85.4 | Confident | 85.2 | Confident | 120 Ų | 120 | 76.8 Ų | 76.8 | 63% | 0.628 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 38 | -178.1 | -59.9 | 169.9 | 0 | 0 | 0 | 113 | F255 | L253-F255 HydrophobicContact CB-CD2 4.46Å; L253-F255 WeakPolarHBondContact O-CD2 3.47Å; L253-F255 WeakPolarHBondContact O-CE2 3.38Å; L253-F255 PolarHBondContact O-N 2.82Å |
| 254 | N | 88.2 | Confident | 83.6 | Confident | 103 Ų | 103 | 77.7 Ų | 77.7 | 55% | 0.551 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 11.3 | -176.4 | -50.6 | -45.3 | 0 | 0 | 0 | 115.9 | S239 C240 K252 | S239-N254 CarbonylContact C-O 3.49Å; S239-N254 WeakPolarHBondContact CA-O 3.28Å; S239-N254 WeakPolarHBondContact CB-O 3.38Å; C240-N254 PolarHBondContact N-O 2.02Å; C240-N254 WeakPolarHBondContact O-CA 3.31Å; C240-N254 WeakPolarHBondContact O-CB 3.34Å; K252-N254 PolarHBondContact O-N 3.38Å |
| 255 | F | 89.9 | Confident | 81.7 | Confident | 86 Ų | 86 | 75.8 Ų | 75.8 | 38% | 0.377 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 154.8 | 172.7 | -58.2 | -73.3 | 0 | 0 | 0 | 110.8 | C240 K252 L253 W257 | C240-F255 VanDerWaalsContact SG-C 3.58Å; C240-F255 PolarHBondContact SG-O 2.03Å; K252-F255 PolarHBondContact N-O 3.1Å; K252-F255 PolarHBondContact O-N 3.14Å; K252-F255 VanDerWaalsContact O-O 3.08Å; L253-F255 HydrophobicContact CB-CD2 4.46Å; L253-F255 WeakPolarHBondContact O-CD2 3.47Å; L253-F255 WeakPolarHBondContact O-CE2 3.38Å; L253-F255 PolarHBondContact O-N 2.82Å; F255-W257 HydrophobicContact CB-CZ2 4.49Å; F255-W257 PolarHBondContact O-NE1 3.29Å |
| 256 | C | 92.9 | Very high | 80 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.02 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.3 | 173 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | R235 V236 G238 C246 | R235-C256 WeakPolarHBondContact CA-O 3.44Å; V236-C256 HydrophobicContact CG2-CB 3.51Å; V236-C256 WeakPolarHBondContact CG2-O 2.89Å; V236-C256 PolarHBondContact N-O 3.33Å; G238-C256 PolarHBondContact O-N 2.93Å; G238-C256 VanDerWaalsContact O-N 3.15Å; C246-C256 WeakPolarHBondContact CA-SG 3.19Å; C246-C256 HydrophobicContact CB-CB 3.7Å; C246-C256 WeakPolarHBondContact CB-SG 3.37Å; C246-C256 WeakPolarHBondContact SG-CA 3.46Å; C246-C256 WeakPolarHBondContact SG-CB 3.2Å; C246-C256 CovalentContact SG-SG 2.03Å; C246-C256 PolarHBondContact SG-SG 2.8Å |
| 257 | W | 92.6 | Very high | 78.3 | Confident | 29 Ų | 29 | 78.6 Ų | 78.6 | 11% | 0.11 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 145 | -177 | -57.4 | 79.5 | 0 | 0 | 0 | 110.9 | N221 L223 R234 R235 G249 V250 K252 F255 | N221-W257 HydrophobicContact CB-CE3 4.4Å; N221-W257 HydrophobicContact CB-CH2 3.81Å; N221-W257 HydrophobicContact CB-CZ3 3.49Å; N221-W257 VanDerWaalsContact CB-CZ3 3.49Å; L223-W257 HydrophobicContact CD1-CB 3.82Å; L223-W257 HydrophobicContact CD2-CB 3.84Å; L223-W257 HydrophobicContact CD2-CG 4.23Å; L223-W257 HydrophobicContact CG-CB 4.23Å; R234-W257 CarbonylContact O-C 3.59Å; R234-W257 WeakPolarHBondContact O-CA 3.31Å; R235-W257 HydrophobicContact CB-CD2 4.49Å; R235-W257 HydrophobicContact CB-CE3 4.12Å; R235-W257 HydrophobicContact CB-CH2 4.34Å; R235-W257 HydrophobicContact CB-CZ3 4.02Å; G249-W257 CarbonylContact C-O 3.49Å; G249-W257 WeakPolarHBondContact CA-O 3.27Å; V250-W257 HydrophobicContact CG2-CB 4.32Å; V250-W257 PolarHBondContact N-O 3.18Å; V250-W257 PolarHBondContact O-N 3.32Å; K252-W257 HydrophobicContact CB-CG 4.44Å; K252-W257 PolarHBondContact O-NE1 3.19Å; F255-W257 HydrophobicContact CB-CZ2 4.49Å; F255-W257 PolarHBondContact O-NE1 3.29Å |
| 258 | I | 93.6 | Very high | 76.6 | Confident | 17 Ų | 17 | 79.7 Ų | 79.7 | 9% | 0.087 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 162.8 | 166.6 | 64.5 | 173.6 | 0 | 0 | 0 | 109.1 | G233 R234 V236 T248 | G233-I258 CarbonylContact C-O 3.56Å; G233-I258 WeakPolarHBondContact CA-O 3.02Å; R234-I258 HydrophobicContact CB-CG1 4.23Å; R234-I258 PolarHBondContact N-O 2.76Å; R234-I258 VanDerWaalsContact NH2-CD1 3.35Å; R234-I258 PolarHBondContact O-N 2.91Å; V236-I258 HydrophobicContact CG1-CB 4.4Å; V236-I258 HydrophobicContact CG1-CD1 3.88Å; V236-I258 HydrophobicContact CG1-CG1 3.84Å; V236-I258 HydrophobicContact CG1-CG2 3.82Å; V236-I258 HydrophobicContact CG2-CG2 4.41Å; T248-I258 HydrophobicContact CG2-CG2 4.11Å |
| 259 | F | 93 | Very high | 75.2 | Confident | 54 Ų | 54 | 82 Ų | 82 | 24% | 0.237 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 138.2 | 170.8 | -66.2 | -78.9 | 0 | 0 | 0 | 109.5 | L223 C224 N225 V231 D261 S262 | L223-F259 HydrophobicContact CB-CD1 3.94Å; L223-F259 HydrophobicContact CB-CE1 3.49Å; L223-F259 VanDerWaalsContact CB-CE1 3.49Å; L223-F259 HydrophobicContact CB-CZ 4.08Å; L223-F259 HydrophobicContact CD1-CD1 4.16Å; L223-F259 HydrophobicContact CD1-CE1 4.27Å; L223-F259 HydrophobicContact CD1-CG 4.35Å; C224-F259 WeakPolarHBondContact O-CZ 3.49Å; N225-F259 HydrophobicContact CB-CE1 3.81Å; N225-F259 HydrophobicContact CB-CZ 4.08Å; V231-F259 HydrophobicContact CG2-CD1 3.38Å; V231-F259 HydrophobicContact CG2-CE1 3.47Å; V231-F259 VanDerWaalsContact CG2-CE1 3.47Å; F259-D261 WeakPolarHBondContact CB-OD1 3.28Å; F259-D261 PolarHBondContact O-N 3.27Å; F259-D261 VanDerWaalsContact O-N 3.15Å; F259-S262 PolarHBondContact N-OG 3.07Å; F259-S262 WeakPolarHBondContact O-CB 3.33Å; F259-S262 PolarHBondContact O-N 2.75Å; F259-S262 PolarHBondContact O-OG 2.73Å |
| 260 | A | 88.1 | Confident | 73.8 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P232 | P232-A260 HydrophobicContact CB-CB 4.12Å; P232-A260 WeakPolarHBondContact O-CB 3.43Å; P232-A260 PolarHBondContact O-N 3.02Å |
| 261 | D | 79.7 | Confident | 72.6 | Confident | 136 Ų | 136 | 92.7 Ų | 92.7 | 73% | 0.727 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -10.9 | 176.5 | 60.6 | -5.5 | 0 | 0 | 0 | 113.7 | F259 S263 | F259-D261 WeakPolarHBondContact CB-OD1 3.28Å; F259-D261 PolarHBondContact O-N 3.27Å; F259-D261 VanDerWaalsContact O-N 3.15Å; D261-S263 PolarHBondContact O-N 3.36Å |
| 262 | S | 64.2 | Low | 71.6 | Confident | 50 Ų | 50 | 98.6 Ų | 98.6 | 35% | 0.35 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -75.3 | 79.6 | 171.5 | 63.8 | 0 | 0 | 0 | 0 | 109.4 | F259 Q264 | F259-S262 PolarHBondContact N-OG 3.07Å; F259-S262 WeakPolarHBondContact O-CB 3.33Å; F259-S262 PolarHBondContact O-N 2.75Å; F259-S262 PolarHBondContact O-OG 2.73Å; S262-Q264 VanDerWaalsContact C-N 3.32Å; S262-Q264 PolarHBondContact O-N 2.85Å |
| 263 | S | 52.8 | Low | 70.8 | Confident | 109 Ų | 109 | 103.8 Ų | 103.8 | 76% | 0.762 | 57% | 0.574 | S | S | * | * | trans | -65 | 88.8 | 174.4 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | D261 | D261-S263 PolarHBondContact O-N 3.36Š| ||
| 264 | Q | 48.2 | Very low | 70 | Confident | 149 Ų | 149 | 106.7 Ų | 106.7 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | -100.2 | 99 | 129 | -73 | 179 | 15.4 | 0 | 0 | 104.8 | R234 S262 | R234-Q264 PolarHBondContact NH2-O 2.85Å; S262-Q264 VanDerWaalsContact C-N 3.32Å; S262-Q264 PolarHBondContact O-N 2.85Å | |||
| 265 | A | 42.7 | Very low | 69.3 | Low | 74 Ų | 74 | 107.5 Ų | 107.5 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | trans | -55.5 | 137.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | E267 | A265-E267 PolarHBondContact O-N 3.16Å; A265-E267 VanDerWaalsContact O-N 3.08Å | ||
| 266 | P | 50 | Low | 68.5 | Low | 107 Ų | 107 | 112 Ų | 112 | 70% | 0.695 | 62% | 0.617 | S | S | * | * | trans | -52.8 | 123.6 | 165.7 | -12.1 | 25.6 | 0 | 0 | 0 | 105.9 | E268 | P266-E268 PolarHBondContact O-N 2.02Š| ||
| 267 | E | 51.5 | Low | 67.6 | Low | 190 Ų | 190 | 117.8 Ų | 117.8 | 89% | 0.888 | 66% | 0.655 | S | S | * | * | trans | -54.1 | 112.4 | 163.1 | -85 | 172.9 | 130.4 | 0 | 0 | 105.3 | A265 | A265-E267 PolarHBondContact O-N 3.16Å; A265-E267 VanDerWaalsContact O-N 3.08Å | ||
| 268 | E | 54.2 | Low | 66.7 | Low | 175 Ų | 175 | 124.8 Ų | 124.8 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 128.6 | 161.9 | -86.3 | -178.3 | 139.7 | 0 | 0 | 105.8 | P266 Q270 | P266-E268 PolarHBondContact O-N 2.02Å; E268-Q270 PolarHBondContact O-N 3.47Å |
| 269 | P | 55.9 | Low | 65.8 | Low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 116.8 | 173.3 | 22.1 | -28.9 | 0 | 0 | 0 | 106.7 | ||
| 270 | Q | 60.6 | Low | 64.6 | Low | 179 Ų | 179 | 135.9 Ų | 135.9 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 133.1 | 170.6 | -71.5 | -174.8 | -40.4 | 0 | 0 | 106.9 | E268 E272 | E268-Q270 PolarHBondContact O-N 3.47Å; Q270-E272 PolarHBondContact O-N 3.19Å; Q270-E272 VanDerWaalsContact O-N 3.11Å |
| 271 | P | 64.7 | Low | 63.9 | Low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 124.9 | 174.1 | 21.6 | -30.5 | 0 | 0 | 0 | 107.7 | ||
| 272 | E | 67.2 | Low | 63.4 | Low | 178 Ų | 178 | 141.3 Ų | 141.3 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 135.7 | 174.9 | -74.5 | -178.2 | 154 | 0 | 0 | 108.2 | Q270 E274 | Q270-E272 PolarHBondContact O-N 3.19Å; Q270-E272 VanDerWaalsContact O-N 3.11Å; E272-E274 PolarHBondContact O-N 2.76Å |
| 273 | P | 72.3 | Confident | 63.4 | Low | 119 Ų | 119 | 144.7 Ų | 144.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -56 | 127.1 | 173.7 | 23.3 | -31.1 | 0 | 0 | 0 | 108.3 | ||
| 274 | E | 68.3 | Low | 63.8 | Low | 180 Ų | 180 | 144.2 Ų | 144.2 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 133.2 | 177.4 | -72.4 | -178 | 154.1 | 0 | 0 | 109.3 | E272 E276 | E272-E274 PolarHBondContact O-N 2.76Å; E274-E276 PolarHBondContact O-N 2.82Å |
| 275 | P | 73.6 | Confident | 64.1 | Low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 130.4 | 175.4 | 23.8 | -31.3 | 0 | 0 | 0 | 108.8 | ||
| 276 | E | 73.3 | Confident | 64.8 | Low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 136.9 | 175.8 | -70.6 | -176 | 156.3 | 0 | 0 | 109.6 | E274 E278 | E274-E276 PolarHBondContact O-N 2.82Å; E276-E278 PolarHBondContact O-N 2.88Å |
| 277 | P | 74 | Confident | 65.1 | Low | 125 Ų | 125 | 152.1 Ų | 152.1 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 129.5 | 179.3 | 22.5 | -31.7 | 0 | 0 | 0 | 109.7 | ||
| 278 | E | 72.1 | Confident | 64.9 | Low | 177 Ų | 177 | 147.7 Ų | 147.7 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 137.8 | 174.2 | -70 | -173.5 | 155.2 | 0 | 0 | 109.6 | E276 E280 | E276-E278 PolarHBondContact O-N 2.88Å; E278-E280 PolarHBondContact O-N 3.31Å |
| 279 | P | 75.4 | Confident | 65.2 | Low | 124 Ų | 124 | 148.7 Ų | 148.7 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 126 | 177.6 | 23.5 | -31.6 | 0 | 0 | 0 | 109.7 | ||
| 280 | E | 69 | Low | 64.8 | Low | 179 Ų | 179 | 148.9 Ų | 148.9 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 133.9 | 178.3 | -71.5 | -176.2 | 151.6 | 0 | 0 | 110.5 | E278 E282 | E278-E280 PolarHBondContact O-N 3.31Å; E280-E282 PolarHBondContact O-N 3Å |
| 281 | P | 72.6 | Confident | 64.2 | Low | 122 Ų | 122 | 145.2 Ų | 145.2 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.5 | 174.7 | 25.4 | -31.6 | 0 | 0 | 0 | 110.2 | ||
| 282 | E | 68.3 | Low | 63.5 | Low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 134.3 | 176.7 | -69.2 | -173 | 146.8 | 0 | 0 | 111 | E280 A284 | E280-E282 PolarHBondContact O-N 3Å; E282-A284 PolarHBondContact O-N 3.32Å |
| 283 | P | 64.1 | Low | 62.9 | Low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 120.9 | -177.7 | 26.8 | -30.9 | 0 | 0 | 0 | 110.4 | E285 | P283-E285 PolarHBondContact O-N 3.28Š|
| 284 | A | 61.8 | Low | 62.1 | Low | 98 Ų | 98 | 146.7 Ų | 146.7 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -75.4 | 114.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | E282 A286 | E282-A284 PolarHBondContact O-N 3.32Å; A284-A286 PolarHBondContact O-N 2.92Å | ||
| 285 | E | 54.8 | Low | 61.3 | Low | 199 Ų | 199 | 142.1 Ų | 142.1 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | trans | -67.6 | 113 | 172.6 | -63.4 | -179.7 | 157.8 | 0 | 0 | 109.6 | P283 | P283-E285 PolarHBondContact O-N 3.28Š| ||
| 286 | A | 57 | Low | 60.4 | Low | 96 Ų | 96 | 145.8 Ų | 145.8 | 79% | 0.793 | 83% | 0.833 | S | S | * | * | trans | -135.6 | 143 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | A284 | A284-A286 PolarHBondContact O-N 2.92Š| ||
| 287 | E | 55.7 | Low | 59.3 | Low | 202 Ų | 202 | 142 Ų | 142 | 94% | 0.944 | 83% | 0.832 | S | S | * | * | trans | -73.6 | 151.6 | -150.5 | -57.2 | 179.3 | 142.7 | 0 | 0 | 114.8 | ||||
| 288 | A | 49 | Very low | 58.3 | Low | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | -92.5 | 140.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 289 | E | 59.2 | Low | 57.4 | Low | 196 Ų | 196 | 141.6 Ų | 141.6 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -139.9 | 134.5 | 151.4 | -75.3 | -154.3 | 138.4 | 0 | 0 | 109.9 | ||||
| 290 | P | 48.8 | Very low | 56.3 | Low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -118.5 | 169.4 | -178.8 | 40.1 | -29.5 | 0 | 0 | 0 | 115.4 | ||||
| 291 | A | 47.4 | Very low | 55.6 | Low | 101 Ų | 101 | 140.7 Ų | 140.7 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | 119.7 | 151.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 292 | A | 49.5 | Very low | 54.8 | Low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 85% | 0.847 | S | S | * | * | trans | 92 | 109.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 293 | E | 54 | Low | 54.4 | Low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | cis | 95.8 | 138.3 | 38.7 | -154.6 | 179.7 | 163.3 | 0 | 0 | 113.6 | ||||
| 294 | E | 55.6 | Low | 54.3 | Low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 85% | 0.845 | S | S | * | * | trans | 84.5 | 147.1 | 170 | -49.4 | -166.5 | 156.2 | 0 | 0 | 118.6 | ||||
| 295 | A | 52.8 | Low | 54 | Low | 84 Ų | 84 | 140 Ų | 140 | 69% | 0.694 | 85% | 0.846 | S | S | * | * | cis | -178.2 | 135.1 | -20.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 296 | E | 53.5 | Low | 54.2 | Low | 198 Ų | 198 | 139.6 Ų | 139.6 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | trans | 54.3 | 161.1 | 137.1 | -57.5 | -145.6 | 141.6 | 0 | 0 | 127.1 | ||||
| 297 | A | 51.1 | Low | 54.4 | Low | 98 Ų | 98 | 144.6 Ų | 144.6 | 81% | 0.81 | 85% | 0.851 | S | S | * | * | trans | 105.3 | 106.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 298 | A | 53.7 | Low | 54.7 | Low | 90 Ų | 90 | 143.5 Ų | 143.5 | 74% | 0.744 | 85% | 0.846 | S | S | * | * | 90.8 | 104.2 | 71.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 299 | E | 51.4 | Low | 55.2 | Low | 205 Ų | 205 | 143.9 Ų | 143.9 | 96% | 0.958 | 85% | 0.849 | S | S | * | * | 81.5 | 135.1 | 102.4 | -74.2 | -168.6 | 155.6 | 0 | 0 | 116.3 | |||||
| 300 | G | 53.9 | Low | 55.8 | Low | 82 Ų | 82 | 143.7 Ų | 143.7 | 85% | 0.845 | 85% | 0.848 | S | S | * | * | trans | -179.4 | 99.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 301 | E | 54.8 | Low | 56.5 | Low | 201 Ų | 201 | 143.5 Ų | 143.5 | 94% | 0.939 | 85% | 0.847 | S | S | * | * | trans | -80.4 | 156.7 | 173.2 | -57.2 | 174.4 | 122.6 | 0 | 0 | 112.3 | ||||
| 302 | A | 53.9 | Low | 57.2 | Low | 109 Ų | 109 | 143.6 Ų | 143.6 | 90% | 0.901 | 85% | 0.848 | S | S | * | * | trans | -173.3 | 144.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 303 | E | 61.6 | Low | 57.9 | Low | 190 Ų | 190 | 148.4 Ų | 148.4 | 89% | 0.888 | 85% | 0.854 | S | S | * | * | trans | -104.1 | -175.6 | -159.7 | -109.1 | -146.5 | 138 | 0 | 0 | 114.3 | ||||
| 304 | P | 61.6 | Low | 58.4 | Low | 111 Ų | 111 | 149 Ų | 149 | 72% | 0.721 | 86% | 0.857 | S | S | * | * | trans | -104.5 | -176.8 | -147.9 | 42.3 | -36.7 | 0 | 0 | 0 | 115.8 | ||||
| 305 | A | 55.5 | Low | 58.7 | Low | 102 Ų | 102 | 153.4 Ų | 153.4 | 84% | 0.843 | 88% | 0.877 | S | S | * | * | trans | -149.3 | 146 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 306 | E | 58.7 | Low | 59 | Low | 191 Ų | 191 | 156.9 Ų | 156.9 | 89% | 0.893 | 89% | 0.886 | S | S | * | * | trans | -81.8 | 157.6 | -169.7 | -54.3 | 164.6 | 139.3 | 0 | 0 | 113.2 | ||||
| 307 | E | 62 | Low | 59.3 | Low | 200 Ų | 200 | 154.7 Ų | 154.7 | 94% | 0.935 | 88% | 0.884 | S | S | * | * | trans | -155.7 | 126.8 | 142.7 | -157.1 | 167.8 | 133.6 | 0 | 0 | 111.3 | ||||
| 308 | E | 61 | Low | 59.8 | Low | 180 Ų | 180 | 157.9 Ų | 157.9 | 84% | 0.841 | 89% | 0.889 | S | S | * | * | trans | -82 | 159 | 177.6 | -53.9 | -174.7 | 130 | 0 | 0 | 112.1 | ||||
| 309 | A | 60.3 | Low | 60.1 | Low | 104 Ų | 104 | 161.9 Ų | 161.9 | 86% | 0.86 | 90% | 0.897 | S | S | * | * | 174.2 | 146.5 | 127.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 310 | E | 70.7 | Confident | 60.7 | Low | 193 Ų | 193 | 159.2 Ų | 159.2 | 90% | 0.902 | 89% | 0.893 | S | S | * | * | trans | -82.3 | 175.3 | -158.3 | -79.9 | -171.4 | 128.9 | 0 | 0 | 118.3 | ||||
| 311 | P | 64.4 | Low | 61.1 | Low | 123 Ų | 123 | 164.3 Ų | 164.3 | 80% | 0.799 | 90% | 0.896 | S | S | * | * | trans | -102.1 | 173.7 | -175 | 40 | -30.4 | 0 | 0 | 0 | 114 | ||||
| 312 | A | 61.9 | Low | 61.6 | Low | 103 Ų | 103 | 161.7 Ų | 161.7 | 85% | 0.851 | 89% | 0.893 | S | S | * | * | trans | -150.2 | 123.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 313 | E | 62.9 | Low | 62.2 | Low | 196 Ų | 196 | 165.8 Ų | 165.8 | 92% | 0.916 | 89% | 0.893 | S | S | * | * | trans | -86.5 | 145.3 | 161.6 | -64.8 | -179 | 139.2 | 0 | 0 | 109.1 | ||||
| 314 | E | 65.5 | Low | 62.2 | Low | 192 Ų | 192 | 163.8 Ų | 163.8 | 90% | 0.897 | 89% | 0.893 | S | S | * | * | trans | -152.3 | 122.8 | 154.6 | -110 | -179.8 | 165.7 | 0 | 0 | 109.7 | ||||
| 315 | E | 62.3 | Low | 62.3 | Low | 270 Ų | 270 | 168.5 Ų | 168.5 | 100% | 1.262 | 91% | 0.909 | S | S | * | * | trans | 65.6 | 0 | 162 | -54.5 | -146.3 | 131 | 0 | 0 | 122.9 |
Retrieved 315 of 315 residues in 186.1 ms
(Link to these results)