| 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 | 38.1 | Very low | 53.9 | Low | 252 Ų | 252 | 133.5 Ų | 133.5 | 100% | 1.241 | 74% | 0.735 | S | S | * | * | 0 | 118.7 | 0 | -63.4 | 179.7 | 88.4 | 0 | 0 | 108.3 | |||||
| 2 | R | 45.4 | Very low | 55.5 | Low | 222 Ų | 222 | 125.3 Ų | 125.3 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | trans | -107.5 | 137.6 | -170.9 | -100 | -177.6 | 175.3 | -172.2 | 1.4 | 111.4 | ||||
| 3 | K | 47.7 | Very low | 57.3 | Low | 188 Ų | 188 | 127.7 Ų | 127.7 | 82% | 0.817 | 70% | 0.702 | S | S | * | * | trans | 57.9 | 112.5 | 143.1 | -66.7 | 179.3 | 175.3 | -177.1 | 0 | 118.1 | ||||
| 4 | G | 50.4 | Low | 59.2 | Low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 69% | 0.694 | S | S | * | * | trans | -165.1 | 57.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 5 | S | 50 | Low | 61 | Low | 118 Ų | 118 | 121.7 Ų | 121.7 | 83% | 0.825 | 68% | 0.677 | S | S | * | * | trans | -173.1 | 65.5 | 170.6 | 26.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 6 | N | 54.5 | Low | 62.6 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 68% | 0.679 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -141.7 | 6.5 | 166.2 | -138.1 | 0.5 | 0 | 0 | 0 | 114.1 | T10 | N6-T10 WeakPolarHBondContact O-CG2 3.32Å; N6-T10 PolarHBondContact O-OG1 2.93Å |
| 7 | S | 57.6 | Low | 64.2 | Low | 89 Ų | 89 | 115.9 Ų | 115.9 | 62% | 0.622 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -83.2 | -31 | -175.7 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | T10 S11 | S7-T10 WeakPolarHBondContact CA-OG1 3.41Å; S7-T10 PolarHBondContact O-OG1 2.82Å; S7-S11 WeakPolarHBondContact O-CB 3.35Å; S7-S11 PolarHBondContact O-N 2.94Å |
| 8 | K | 59.6 | Low | 65.5 | Low | 191 Ų | 191 | 112.9 Ų | 112.9 | 83% | 0.83 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.4 | -41.9 | -178.3 | -72.8 | -176.4 | 178 | 178.9 | 0 | 113.1 | T10 S11 G12 | K8-T10 VanDerWaalsContact C-N 3.34Å; K8-S11 PolarHBondContact O-N 3.44Å; K8-G12 PolarHBondContact O-N 3.03Å; K8-G12 VanDerWaalsContact O-N 3.07Å |
| 9 | A | 57.3 | Low | 66.9 | Low | 62 Ų | 62 | 111.7 Ų | 111.7 | 51% | 0.512 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.4 | -32.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K13 | A9-K13 PolarHBondContact O-N 3.3Å |
| 10 | T | 61.8 | Low | 68 | Low | 71 Ų | 71 | 106.2 Ų | 106.2 | 44% | 0.436 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73.7 | -40.4 | 174.7 | 45.1 | 0 | 0 | 0 | 0 | 111.6 | N6 S7 K8 G12 K13 L14 | N6-T10 WeakPolarHBondContact O-CG2 3.32Å; N6-T10 PolarHBondContact O-OG1 2.93Å; S7-T10 WeakPolarHBondContact CA-OG1 3.41Å; S7-T10 PolarHBondContact O-OG1 2.82Å; K8-T10 VanDerWaalsContact C-N 3.34Å; T10-G12 PolarHBondContact O-N 3Å; T10-K13 PolarHBondContact O-N 3.03Å; T10-L14 WeakPolarHBondContact O-CG 3.34Å; T10-L14 PolarHBondContact O-N 2.9Å |
| 11 | S | 70.3 | Confident | 69 | Low | 74 Ų | 74 | 104.6 Ų | 104.6 | 52% | 0.517 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62 | -39.8 | 173.6 | -172 | 0 | 0 | 0 | 0 | 113.3 | S7 K8 L14 A15 | S7-S11 WeakPolarHBondContact O-CB 3.35Å; S7-S11 PolarHBondContact O-N 2.94Å; K8-S11 PolarHBondContact O-N 3.44Å; S11-L14 PolarHBondContact O-N 2.71Å; S11-A15 PolarHBondContact O-N 3.45Å |
| 12 | G | 73.9 | Confident | 71.4 | Confident | 35 Ų | 35 | 98.9 Ų | 98.9 | 36% | 0.361 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.4 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K8 T10 A15 I16 | K8-G12 PolarHBondContact O-N 3.03Å; K8-G12 VanDerWaalsContact O-N 3.07Å; T10-G12 PolarHBondContact O-N 3Å; G12-A15 PolarHBondContact O-N 3.49Å; G12-I16 WeakPolarHBondContact O-CG1 3.33Å; G12-I16 PolarHBondContact O-N 3.42Å; G12-I16 VanDerWaalsContact O-N 3.14Å |
| 13 | K | 78.8 | Confident | 73.4 | Confident | 157 Ų | 157 | 90.8 Ų | 90.8 | 68% | 0.683 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 173.5 | -77.2 | 178.8 | 179.4 | -179.6 | 0 | 111.7 | A9 T10 I16 T17 | A9-K13 PolarHBondContact O-N 3.3Å; T10-K13 PolarHBondContact O-N 3.03Å; K13-I16 PolarHBondContact O-N 3.36Å; K13-T17 WeakPolarHBondContact O-CG2 3.3Å; K13-T17 PolarHBondContact O-N 3.16Å; K13-T17 PolarHBondContact O-OG1 3.37Å |
| 14 | L | 84.1 | Confident | 75.3 | Confident | 112 Ų | 112 | 82.7 Ų | 82.7 | 59% | 0.586 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -47.4 | 176 | -75.5 | 165 | 0 | 0 | 0 | 111.3 | T10 S11 I16 T17 S18 | T10-L14 WeakPolarHBondContact O-CG 3.34Å; T10-L14 PolarHBondContact O-N 2.9Å; S11-L14 PolarHBondContact O-N 2.71Å; L14-I16 PolarHBondContact O-N 3.29Å; L14-T17 WeakPolarHBondContact CA-OG1 3.48Å; L14-T17 PolarHBondContact O-N 3.02Å; L14-T17 VanDerWaalsContact O-N 3.16Å; L14-T17 PolarHBondContact O-OG1 3.45Å; L14-S18 PolarHBondContact O-N 3.01Å; L14-S18 PolarHBondContact O-OG 3.14Å |
| 15 | A | 86.1 | Confident | 77.1 | Confident | 53 Ų | 53 | 83.2 Ų | 83.2 | 44% | 0.438 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S11 G12 T17 S18 V19 | S11-A15 PolarHBondContact O-N 3.45Å; G12-A15 PolarHBondContact O-N 3.49Å; A15-T17 PolarHBondContact O-N 3.44Å; A15-S18 PolarHBondContact O-N 3.35Å; A15-V19 WeakPolarHBondContact O-CB 3.4Å; A15-V19 VanDerWaalsContact O-CG2 3.27Å; A15-V19 WeakPolarHBondContact O-CG2 3.34Å; A15-V19 PolarHBondContact O-N 3.4Å |
| 16 | I | 86.8 | Confident | 78.7 | Confident | 99 Ų | 99 | 79.5 Ų | 79.5 | 51% | 0.508 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.3 | -65.6 | 165.2 | 0 | 0 | 0 | 111 | G12 K13 L14 A20 L91 | G12-I16 WeakPolarHBondContact O-CG1 3.33Å; G12-I16 PolarHBondContact O-N 3.42Å; G12-I16 VanDerWaalsContact O-N 3.14Å; K13-I16 PolarHBondContact O-N 3.36Å; L14-I16 PolarHBondContact O-N 3.29Å; I16-A20 VanDerWaalsContact O-CB 3.25Å; I16-A20 WeakPolarHBondContact O-CB 3.4Å; I16-A20 PolarHBondContact O-N 3.3Å; I16-L91 HydrophobicContact CG2-CD1 4.36Å |
| 17 | T | 89.4 | Confident | 79.8 | Confident | 47 Ų | 47 | 79 Ų | 79 | 29% | 0.288 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 177.5 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | K13 L14 A15 A20 L21 L93 | K13-T17 WeakPolarHBondContact O-CG2 3.3Å; K13-T17 PolarHBondContact O-N 3.16Å; K13-T17 PolarHBondContact O-OG1 3.37Å; L14-T17 WeakPolarHBondContact CA-OG1 3.48Å; L14-T17 PolarHBondContact O-N 3.02Å; L14-T17 VanDerWaalsContact O-N 3.16Å; L14-T17 PolarHBondContact O-OG1 3.45Å; A15-T17 PolarHBondContact O-N 3.44Å; T17-A20 PolarHBondContact O-N 3Å; T17-L21 WeakPolarHBondContact O-CB 3.42Å; T17-L21 PolarHBondContact O-N 3.48Å; T17-L93 HydrophobicContact CG2-CD1 4Å; T17-L93 HydrophobicContact CG2-CD2 4.27Å |
| 18 | S | 88.3 | Confident | 80.7 | Confident | 61 Ų | 61 | 80.6 Ų | 80.6 | 43% | 0.427 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 177.2 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | L14 A15 L21 Q22 | L14-S18 PolarHBondContact O-N 3.01Å; L14-S18 PolarHBondContact O-OG 3.14Å; A15-S18 PolarHBondContact O-N 3.35Å; S18-L21 PolarHBondContact O-N 3.07Å; S18-Q22 WeakPolarHBondContact O-CG 3.5Å; S18-Q22 PolarHBondContact O-N 3.42Å |
| 19 | V | 90.5 | Very high | 81.2 | Confident | 90 Ų | 90 | 77 Ų | 77 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 177 | 172 | 0 | 0 | 0 | 0 | 111 | A15 L21 Q22 D23 | A15-V19 WeakPolarHBondContact O-CB 3.4Å; A15-V19 VanDerWaalsContact O-CG2 3.27Å; A15-V19 WeakPolarHBondContact O-CG2 3.34Å; A15-V19 PolarHBondContact O-N 3.4Å; V19-L21 VanDerWaalsContact C-N 3.31Å; V19-L21 PolarHBondContact O-N 2.99Å; V19-Q22 PolarHBondContact O-N 3.42Å; V19-D23 WeakPolarHBondContact O-CB 3.39Å; V19-D23 PolarHBondContact O-N 3.35Å |
| 20 | A | 89.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 80.6 Ų | 80.6 | 1% | 0.008 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I16 T17 H24 L87 A88 L91 L93 | I16-A20 VanDerWaalsContact O-CB 3.25Å; I16-A20 WeakPolarHBondContact O-CB 3.4Å; I16-A20 PolarHBondContact O-N 3.3Å; T17-A20 PolarHBondContact O-N 3Å; A20-H24 WeakPolarHBondContact O-CB 3.27Å; A20-H24 PolarHBondContact O-N 3.35Å; A20-H24 VanDerWaalsContact O-N 3.08Å; A20-L87 HydrophobicContact CB-CB 4.16Å; A20-L87 HydrophobicContact CB-CD2 3.99Å; A20-L87 HydrophobicContact CB-CG 3.96Å; A20-A88 HydrophobicContact CB-CB 4.28Å; A20-A88 WeakPolarHBondContact O-CB 3.33Å; A20-L91 HydrophobicContact CB-CD1 4.04Å; A20-L93 HydrophobicContact CB-CD1 4.24Å |
| 21 | L | 88.9 | Confident | 80.7 | Confident | 73 Ų | 73 | 80.9 Ų | 80.9 | 38% | 0.382 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.2 | -41 | 178.5 | -165.3 | 72.5 | 0 | 0 | 0 | 112 | T17 S18 V19 H24 I25 V94 | T17-L21 WeakPolarHBondContact O-CB 3.42Å; T17-L21 PolarHBondContact O-N 3.48Å; S18-L21 PolarHBondContact O-N 3.07Å; V19-L21 VanDerWaalsContact C-N 3.31Å; V19-L21 PolarHBondContact O-N 2.99Å; L21-H24 WeakPolarHBondContact O-CB 3.48Å; L21-H24 PolarHBondContact O-N 2.94Å; L21-I25 HydrophobicContact CG-CD1 4.15Å; L21-I25 VanDerWaalsContact O-CG1 3.3Å; L21-I25 WeakPolarHBondContact O-CG1 3.49Å; L21-I25 PolarHBondContact O-N 2.93Å; L21-V94 HydrophobicContact CD1-CG2 3.82Å |
| 22 | Q | 88.3 | Confident | 79.7 | Confident | 132 Ų | 132 | 84.4 Ų | 84.4 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.8 | -45 | 175.7 | -74.3 | 174.3 | -6.2 | 0 | 0 | 112.2 | S18 V19 H24 I25 A26 | S18-Q22 WeakPolarHBondContact O-CG 3.5Å; S18-Q22 PolarHBondContact O-N 3.42Å; V19-Q22 PolarHBondContact O-N 3.42Å; Q22-H24 VanDerWaalsContact C-N 3.32Å; Q22-H24 PolarHBondContact O-N 3.29Å; Q22-I25 PolarHBondContact O-N 2.96Å; Q22-A26 WeakPolarHBondContact O-CB 3.39Å; Q22-A26 PolarHBondContact O-N 2.92Å |
| 23 | D | 87.9 | Confident | 78.3 | Confident | 52 Ų | 52 | 90.1 Ų | 90.1 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 174 | 172.3 | 75.2 | 0 | 0 | 0 | 111.3 | V19 A26 R27 | V19-D23 WeakPolarHBondContact O-CB 3.39Å; V19-D23 PolarHBondContact O-N 3.35Å; D23-A26 PolarHBondContact O-N 2.96Å; D23-R27 VanDerWaalsContact CG-NE 3.28Å; D23-R27 WeakPolarHBondContact O-CB 3.46Å; D23-R27 VanDerWaalsContact O-CG 3.29Å; D23-R27 WeakPolarHBondContact O-CG 3.5Å; D23-R27 PolarHBondContact O-N 2.92Å; D23-R27 IonicContact OD1-CZ 2.59Å; D23-R27 IonicContact OD1-NE 3.37Å; D23-R27 PolarHBondContact OD1-NE 2.93Å; D23-R27 IonicContact OD1-NH2 2.73Å; D23-R27 PolarHBondContact OD1-NH2 2.96Å; D23-R27 VanDerWaalsContact OD1-NH2 3.09Å; D23-R27 IonicContact OD2-CZ 3.86Å; D23-R27 IonicContact OD2-NE 3.44Å; D23-R27 PolarHBondContact OD2-NE 3.45Å; D23-R27 IonicContact OD2-NH2 3.83Å; D23-R27 PolarHBondContact OD2-NH2 2.94Å |
| 24 | H | 87.6 | Confident | 76.8 | Confident | 19 Ų | 19 | 88.9 Ų | 88.9 | 9% | 0.088 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 177 | -179.9 | 80.9 | 0 | 0 | 0 | 112.4 | A20 L21 Q22 R27 N28 T86 A88 Q89 | A20-H24 WeakPolarHBondContact O-CB 3.27Å; A20-H24 PolarHBondContact O-N 3.35Å; A20-H24 VanDerWaalsContact O-N 3.08Å; L21-H24 WeakPolarHBondContact O-CB 3.48Å; L21-H24 PolarHBondContact O-N 2.94Å; Q22-H24 VanDerWaalsContact C-N 3.32Å; Q22-H24 PolarHBondContact O-N 3.29Å; H24-R27 PolarHBondContact O-N 3.12Å; H24-N28 WeakPolarHBondContact O-CB 3.42Å; H24-N28 PolarHBondContact O-N 3.1Å; H24-T86 PolarHBondContact ND1-OG1 2.95Å; H24-A88 HydrophobicContact CB-CB 3.69Å; H24-Q89 PolarHBondContact CE1-NE2 3.3Å |
| 25 | I | 87.3 | Confident | 74.5 | Confident | 84 Ų | 84 | 88 Ų | 88 | 43% | 0.431 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 177.8 | -67.7 | 164.9 | 0 | 0 | 0 | 110.5 | L21 Q22 R27 N28 L29 | L21-I25 HydrophobicContact CG-CD1 4.15Å; L21-I25 VanDerWaalsContact O-CG1 3.3Å; L21-I25 WeakPolarHBondContact O-CG1 3.49Å; L21-I25 PolarHBondContact O-N 2.93Å; Q22-I25 PolarHBondContact O-N 2.96Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 3.09Å; I25-N28 PolarHBondContact O-N 3.13Å; I25-L29 HydrophobicContact CG2-CD1 3.62Å; I25-L29 HydrophobicContact CG2-CG 4.31Å; I25-L29 WeakPolarHBondContact O-CB 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.45Å; I25-L29 PolarHBondContact O-N 3.41Å |
| 26 | A | 84.6 | Confident | 72.5 | Confident | 41 Ų | 41 | 93.8 Ų | 93.8 | 34% | 0.339 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q22 D23 L31 | Q22-A26 WeakPolarHBondContact O-CB 3.39Å; Q22-A26 PolarHBondContact O-N 2.92Å; D23-A26 PolarHBondContact O-N 2.96Å; A26-L31 PolarHBondContact O-N 3.34Å; A26-L31 VanDerWaalsContact O-N 3.13Å |
| 27 | R | 77.8 | Confident | 70.1 | Confident | 117 Ų | 117 | 94.2 Ų | 94.2 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.9 | -37.2 | 176.3 | -71.7 | 177.4 | -169.6 | -147.9 | 6.8 | 113 | D23 H24 I25 | D23-R27 VanDerWaalsContact CG-NE 3.28Å; D23-R27 WeakPolarHBondContact O-CB 3.46Å; D23-R27 VanDerWaalsContact O-CG 3.29Å; D23-R27 WeakPolarHBondContact O-CG 3.5Å; D23-R27 PolarHBondContact O-N 2.92Å; D23-R27 IonicContact OD1-CZ 2.59Å; D23-R27 IonicContact OD1-NE 3.37Å; D23-R27 PolarHBondContact OD1-NE 2.93Å; D23-R27 IonicContact OD1-NH2 2.73Å; D23-R27 PolarHBondContact OD1-NH2 2.96Å; D23-R27 VanDerWaalsContact OD1-NH2 3.09Å; D23-R27 IonicContact OD2-CZ 3.86Å; D23-R27 IonicContact OD2-NE 3.44Å; D23-R27 PolarHBondContact OD2-NE 3.45Å; D23-R27 IonicContact OD2-NH2 3.83Å; D23-R27 PolarHBondContact OD2-NH2 2.94Å; H24-R27 PolarHBondContact O-N 3.12Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 3.09Å |
| 28 | N | 75.9 | Confident | 67.5 | Low | 121 Ų | 121 | 99 Ų | 99 | 65% | 0.647 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -75.8 | -32.1 | -177.7 | -157.8 | 21.4 | 0 | 0 | 0 | 112.5 | H24 I25 L30 | H24-N28 WeakPolarHBondContact O-CB 3.42Å; H24-N28 PolarHBondContact O-N 3.1Å; I25-N28 PolarHBondContact O-N 3.13Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 3.24Å |
| 29 | L | 69.9 | Low | 64.9 | Low | 115 Ų | 115 | 101.5 Ų | 101.5 | 60% | 0.602 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 7 | 176.7 | -66.9 | 175.5 | 0 | 0 | 0 | 114.1 | I25 L31 | I25-L29 HydrophobicContact CG2-CD1 3.62Å; I25-L29 HydrophobicContact CG2-CG 4.31Å; I25-L29 WeakPolarHBondContact O-CB 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.45Å; I25-L29 PolarHBondContact O-N 3.41Å; L29-L31 HydrophobicContact CB-CD1 4Å; L29-L31 HydrophobicContact CB-CG 3.91Å; L29-L31 HydrophobicContact CD1-CD1 4.03Å; L29-L31 PolarHBondContact O-N 3.18Å; L29-L31 VanDerWaalsContact O-N 3.09Å |
| 30 | L | 58.7 | Low | 62.4 | Low | 138 Ų | 138 | 103.2 Ų | 103.2 | 72% | 0.723 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.6 | 27.9 | -174 | -68.2 | 162.4 | 0 | 0 | 0 | 113.2 | N28 Q32 | N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 3.24Å; L30-Q32 PolarHBondContact O-N 2.94Å |
| 31 | L | 50.6 | Low | 59.8 | Low | 78 Ų | 78 | 112.5 Ų | 112.5 | 41% | 0.408 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -71.9 | 16.2 | 176.4 | -71.7 | 170 | 0 | 0 | 0 | 113 | A26 L29 N33 L34 | A26-L31 PolarHBondContact O-N 3.34Å; A26-L31 VanDerWaalsContact O-N 3.13Å; L29-L31 HydrophobicContact CB-CD1 4Å; L29-L31 HydrophobicContact CB-CG 3.91Å; L29-L31 HydrophobicContact CD1-CD1 4.03Å; L29-L31 PolarHBondContact O-N 3.18Å; L29-L31 VanDerWaalsContact O-N 3.09Å; L31-N33 PolarHBondContact O-N 3.44Å; L31-L34 HydrophobicContact CD2-CD1 3.89Å; L31-L34 PolarHBondContact O-N 3.5Å |
| 32 | Q | 47.9 | Very low | 57.1 | Low | 148 Ų | 148 | 114.8 Ų | 114.8 | 69% | 0.692 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -56.7 | -13.5 | 176 | -78.1 | -178.4 | -5.5 | 0 | 0 | 113.5 | L30 | L30-Q32 PolarHBondContact O-N 2.94Š|
| 33 | N | 45.9 | Very low | 54.5 | Low | 154 Ų | 154 | 119.4 Ų | 119.4 | 82% | 0.824 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -96.2 | 3.6 | 176.6 | -63.6 | -30.4 | 0 | 0 | 0 | 114.8 | L31 | L31-N33 PolarHBondContact O-N 3.44Š|
| 34 | L | 45.8 | Very low | 51.9 | Low | 132 Ų | 132 | 128.4 Ų | 128.4 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | trans | -128.2 | 28.5 | -178.3 | -75 | 164.3 | 0 | 0 | 0 | 113.5 | L31 L36 | L31-L34 HydrophobicContact CD2-CD1 3.89Å; L31-L34 PolarHBondContact O-N 3.5Å; L34-L36 PolarHBondContact O-N 2.96Å | ||
| 35 | S | 37.5 | Very low | 49.4 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | trans | -67.8 | 103 | 170.7 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | C37 | S35-C37 VanDerWaalsContact C-N 3.31Å; S35-C37 PolarHBondContact O-N 3.33Å; S35-C37 VanDerWaalsContact O-N 3.12Å | ||
| 36 | L | 43.9 | Very low | 46.7 | Very low | 176 Ų | 176 | 141 Ų | 141 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | trans | -72.6 | 86.1 | 160.6 | -69.1 | 168 | 0 | 0 | 0 | 108.1 | L34 | L34-L36 PolarHBondContact O-N 2.96Š| ||
| 37 | C | 36.1 | Very low | 44.3 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | trans | -123.7 | 138.3 | 162.9 | -78.4 | 0 | 0 | 0 | 0 | 110.4 | S35 | S35-C37 VanDerWaalsContact C-N 3.31Å; S35-C37 PolarHBondContact O-N 3.33Å; S35-C37 VanDerWaalsContact O-N 3.12Å | ||
| 38 | D | 33.5 | Very low | 42.2 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | -47.1 | 148.1 | -177.1 | -87.6 | -53.9 | 0 | 0 | 0 | 115.4 | V40 | D38-V40 VanDerWaalsContact C-N 3.26Å; D38-V40 PolarHBondContact O-N 3.41Å | ||
| 39 | P | 33.7 | Very low | 40.2 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 25.6 | -163.8 | 6.8 | 9.5 | 0 | 0 | 0 | 115.8 | ||
| 40 | V | 37.8 | Very low | 38.5 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -4 | -166.7 | -169.8 | 0 | 0 | 0 | 0 | 115.1 | D38 | D38-V40 VanDerWaalsContact C-N 3.26Å; D38-V40 PolarHBondContact O-N 3.41Å |
| 41 | K | 35.7 | Very low | 37.1 | Very low | 197 Ų | 197 | 151.8 Ų | 151.8 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -125.4 | 16.7 | 178.7 | -67.2 | -171.4 | -179 | 179.3 | 0 | 116.4 | R43 | K41-R43 PolarHBondContact O-N 2.95Å; K41-R43 VanDerWaalsContact O-N 3.08Å |
| 42 | T | 33.4 | Very low | 36.1 | Very low | 120 Ų | 120 | 155 Ų | 155 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 38.1 | 177.1 | -31.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 43 | R | 32.3 | Very low | 35.3 | Very low | 230 Ų | 230 | 155 Ų | 155 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -0.1 | -177.8 | -112.3 | -179.5 | -159.4 | 177.1 | 7.1 | 116.9 | K41 | K41-R43 PolarHBondContact O-N 2.95Å; K41-R43 VanDerWaalsContact O-N 3.08Å |
| 44 | W | 33.3 | Very low | 34.4 | Very low | 241 Ų | 241 | 153.8 Ų | 153.8 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -120.7 | 7.8 | -171.2 | -105.8 | 14 | 0 | 0 | 0 | 119.1 | ||
| 45 | C | 34.8 | Very low | 33.5 | Very low | 136 Ų | 136 | 156 Ų | 156 | 92% | 0.919 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -127.1 | 14.8 | 173.3 | -67.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 46 | R | 31.7 | Very low | 33 | Very low | 232 Ų | 232 | 162.5 Ų | 162.5 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -108.9 | 29.9 | 178.4 | -137.9 | -173 | -85.6 | -156.9 | -1.8 | 113.7 | ||
| 47 | R | 34.3 | Very low | 32.3 | Very low | 245 Ų | 245 | 162.1 Ų | 162.1 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -129.8 | 26.4 | -178.6 | -82.5 | -170.4 | 179.4 | 171.3 | -0.6 | 115.5 | ||
| 48 | A | 33.7 | Very low | 31.9 | Very low | 103 Ų | 103 | 165.8 Ų | 165.8 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -139 | 38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 49 | A | 34 | Very low | 31.5 | Very low | 92 Ų | 92 | 161.8 Ų | 161.8 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -155.5 | 55.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 50 | T | 33.7 | Very low | 31.3 | Very low | 131 Ų | 131 | 163.3 Ų | 163.3 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -154.9 | 103.1 | 158.2 | 42.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 51 | E | 28.6 | Very low | 30.9 | Very low | 186 Ų | 186 | 164.2 Ų | 164.2 | 87% | 0.869 | 84% | 0.84 | S | S | * | * | trans | 159.6 | 95.4 | 144.2 | -89.5 | 178.7 | -155.9 | 0 | 0 | 110.6 | ||||
| 52 | T | 30.9 | Very low | 30.6 | Very low | 145 Ų | 145 | 164.6 Ų | 164.6 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | trans | -158.3 | 87.7 | 136.6 | -10.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 53 | H | 30 | Very low | 30.6 | Very low | 148 Ų | 148 | 167.8 Ų | 167.8 | 69% | 0.685 | 85% | 0.848 | S | S | * | * | trans | 34.6 | 103.2 | 132.3 | -144.3 | -63.5 | 0 | 0 | 0 | 119 | ||||
| 54 | C | 26.8 | Very low | 30.5 | Very low | 129 Ų | 129 | 166.4 Ų | 166.4 | 87% | 0.872 | 85% | 0.848 | S | S | * | * | trans | -74 | 125 | 157.4 | -77.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 55 | K | 28 | Very low | 30.4 | Very low | 178 Ų | 178 | 157.8 Ų | 157.8 | 77% | 0.774 | 83% | 0.834 | S | S | * | * | trans | -117.5 | 115 | 157 | -78.9 | -170.4 | 177.5 | 178.8 | 0 | 108.9 | ||||
| 56 | R | 27.1 | Very low | 30.2 | Very low | 230 Ų | 230 | 157.8 Ų | 157.8 | 87% | 0.868 | 83% | 0.832 | S | S | * | * | trans | -68.8 | 134.4 | 161.9 | -100.1 | 172.4 | 166.2 | 162.5 | -4.9 | 108.1 | ||||
| 57 | N | 29 | Very low | 30.2 | Very low | 167 Ų | 167 | 155.5 Ų | 155.5 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -143.8 | 130.1 | 150.8 | -96 | -13.7 | 0 | 0 | 0 | 109.5 | ||||
| 58 | H | 27.6 | Very low | 30.3 | Very low | 185 Ų | 185 | 153 Ų | 153 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | trans | -77.7 | 148.3 | 173.8 | -94.7 | -90.1 | 0 | 0 | 0 | 111.1 | ||||
| 59 | G | 25.1 | Very low | 30.2 | Very low | 62 Ų | 62 | 156.5 Ų | 156.5 | 64% | 0.639 | 83% | 0.829 | S | S | * | * | trans | 92.5 | 97.2 | 143.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 60 | T | 28.7 | Very low | 30.3 | Very low | 147 Ų | 147 | 160.2 Ų | 160.2 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | 162.7 | 112.9 | 111.3 | 44.6 | 0 | 0 | 0 | 0 | 110.1 | K62 | T60-K62 PolarHBondContact O-N 3.37Š| |||
| 61 | V | 30 | Very low | 30.5 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -80.7 | 104.8 | 179.1 | 174 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 62 | K | 29.3 | Very low | 31.7 | Very low | 204 Ų | 204 | 155.1 Ų | 155.1 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -94.4 | 110.6 | 163.1 | -120.2 | 177.3 | -179.1 | 176.9 | 0 | 107.7 | T60 K64 | T60-K62 PolarHBondContact O-N 3.37Å; K62-K64 PolarHBondContact O-N 2.97Å | ||
| 63 | Q | 34.2 | Very low | 33.4 | Very low | 187 Ų | 187 | 153 Ų | 153 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -59.3 | 120.6 | 172.9 | -69.5 | -169.7 | -6.7 | 0 | 0 | 109.8 | ||||
| 64 | K | 30 | Very low | 35.4 | Very low | 201 Ų | 201 | 154.1 Ų | 154.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -109.3 | 125 | 160.2 | -85.6 | -175.2 | 174.4 | -179.6 | 0 | 107.6 | K62 | K62-K64 PolarHBondContact O-N 2.97Š| ||
| 65 | G | 29.9 | Very low | 38.1 | Very low | 60 Ų | 60 | 150.1 Ų | 150.1 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | trans | -61.1 | 175 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q67 | G65-Q67 PolarHBondContact O-N 3.08Š| ||
| 66 | P | 32 | Very low | 40.6 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | -69.8 | 108.5 | -166.8 | 28.1 | -31.8 | 0 | 0 | 0 | 110.4 | Q68 | P66-Q68 PolarHBondContact O-N 3.4Š| ||
| 67 | Q | 31.7 | Very low | 43.2 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -66.9 | 120.1 | 162.9 | -82.9 | 175.2 | -39.9 | 0 | 0 | 108.3 | G65 H69 | G65-Q67 PolarHBondContact O-N 3.08Å; Q67-H69 PolarHBondContact O-N 3.02Å | ||
| 68 | Q | 35.4 | Very low | 45.5 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 91% | 0.907 | 70% | 0.696 | S | S | * | * | trans | -58.1 | 99.6 | 168.1 | -80.5 | 170.7 | -26.8 | 0 | 0 | 109 | P66 N70 | P66-Q68 PolarHBondContact O-N 3.4Å; Q68-N70 PolarHBondContact O-N 2.85Å | ||
| 69 | H | 32.8 | Very low | 48 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 81% | 0.81 | 67% | 0.665 | S | S | * | * | trans | -82 | 89 | 170.4 | -161.8 | -83 | 0 | 0 | 0 | 107.8 | Q67 G71 | Q67-H69 PolarHBondContact O-N 3.02Å; H69-G71 PolarHBondContact ND1-N 3.22Å; H69-G71 PolarHBondContact O-N 3.09Å | ||
| 70 | N | 35 | Very low | 50.1 | Low | 170 Ų | 170 | 129.2 Ų | 129.2 | 91% | 0.909 | 67% | 0.669 | S | S | * | * | trans | -75.9 | 51.7 | 169.8 | -154.3 | 24.3 | 0 | 0 | 0 | 110.1 | Q68 | Q68-N70 PolarHBondContact O-N 2.85Š| ||
| 71 | G | 39.1 | Very low | 51.9 | Low | 36 Ų | 36 | 126.5 Ų | 126.5 | 37% | 0.371 | 66% | 0.662 | S | S | . | * | trans | -93.7 | 113.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | H69 E73 | H69-G71 PolarHBondContact ND1-N 3.22Å; H69-G71 PolarHBondContact O-N 3.09Å; G71-E73 PolarHBondContact O-N 3.16Å; G71-E73 VanDerWaalsContact O-N 3.16Å | ||
| 72 | E | 52.7 | Low | 53.7 | Low | 175 Ų | 175 | 122.9 Ų | 122.9 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | trans | -47.4 | 123.4 | 167.1 | -63.9 | 177.6 | 152.9 | 0 | 0 | 108.7 | K74 | E72-K74 PolarHBondContact O-N 2.96Š| ||
| 73 | E | 67.1 | Low | 55.6 | Low | 99 Ų | 99 | 118.2 Ų | 118.2 | 46% | 0.463 | 64% | 0.637 | S | S | . | * | trans | -62 | 97.2 | 178.4 | -69.2 | 170.3 | -163.9 | 0 | 0 | 107.8 | G71 H175 K182 | G71-E73 PolarHBondContact O-N 3.16Å; G71-E73 VanDerWaalsContact O-N 3.16Å; E73-H175 IonicContact OE2-CE1 3.73Å; E73-H175 IonicContact OE2-CG 3.97Å; E73-H175 VanDerWaalsContact OE2-CG 3.3Å; E73-H175 IonicContact OE2-ND1 3.28Å; E73-H175 PolarHBondContact OE2-ND1 2.85Å; E73-K182 IonicContact OE1-NZ 2.7Å; E73-K182 PolarHBondContact OE1-NZ 3.4Å; E73-K182 IonicContact OE2-NZ 2.94Å | ||
| 74 | K | 72.8 | Confident | 57.7 | Low | 172 Ų | 172 | 114.4 Ų | 114.4 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | trans | -75 | 130.1 | -175.7 | -69.5 | -174.6 | -178.4 | 180 | 0 | 110.5 | E72 Y76 | E72-K74 PolarHBondContact O-N 2.96Å; K74-Y76 WeakPolarHBondContact O-CD1 3.25Å | ||
| 75 | E | 82.3 | Confident | 60.2 | Low | 45 Ų | 45 | 108.7 Ų | 108.7 | 21% | 0.21 | 61% | 0.607 | C | S | . | * | trans | -72.7 | 139.9 | 174.5 | -60.4 | -178 | 168.6 | 0 | 0 | 111.1 | K110 R172 V173 | E75-K110 VanDerWaalsContact CD-NZ 3.35Å; E75-K110 WeakPolarHBondContact OE1-CE 3.46Å; E75-K110 IonicContact OE1-NZ 3.09Å; E75-K110 PolarHBondContact OE1-NZ 2.99Å; E75-K110 IonicContact OE2-NZ 2.62Å; E75-K110 PolarHBondContact OE2-NZ 2.74Å; E75-R172 IonicContact OE2-CZ 3.4Å; E75-R172 VanDerWaalsContact OE2-CZ 3.28Å; E75-R172 IonicContact OE2-NE 2.85Å; E75-R172 PolarHBondContact OE2-NE 3.47Å; E75-R172 VanDerWaalsContact OE2-NE 3.09Å; E75-R172 IonicContact OE2-NH2 3.09Å; E75-R172 PolarHBondContact OE2-NH2 2.94Å; E75-V173 WeakPolarHBondContact CB-O 3.36Å; E75-V173 WeakPolarHBondContact CG-O 3.5Å | ||
| 76 | Y | 80.1 | Confident | 62.9 | Low | 127 Ų | 127 | 106.3 Ų | 106.3 | 50% | 0.498 | 58% | 0.581 | S | S | . | * | trans | -142.4 | 154.5 | 179.7 | 61.7 | -82.6 | 0 | 0 | 0 | 111.7 | K74 L78 V173 | K74-Y76 WeakPolarHBondContact O-CD1 3.25Å; Y76-L78 HydrophobicContact CD2-CD2 4.18Å; Y76-L78 HydrophobicContact CE2-CD2 3.53Å; Y76-V173 HydrophobicContact CD1-CB 4.36Å; Y76-V173 HydrophobicContact CD2-CG2 4.47Å; Y76-V173 HydrophobicContact CE1-CB 4.08Å; Y76-V173 HydrophobicContact CE1-CG1 4.3Å; Y76-V173 HydrophobicContact CE1-CG2 4.08Å; Y76-V173 HydrophobicContact CE2-CG2 4.01Å; Y76-V173 PolarHBondContact O-N 3.13Å | ||
| 77 | V | 82.3 | Confident | 65.5 | Low | 61 Ų | 61 | 103.9 Ų | 103.9 | 37% | 0.37 | 56% | 0.56 | S | S | . | * | B | Isolated β-bridge | trans | -83.6 | 133.4 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | D79 | V77-D79 HydrophobicContact CG1-CB 4.27Å |
| 78 | L | 78.7 | Confident | 68.3 | Low | 47 Ų | 47 | 95.1 Ų | 95.1 | 25% | 0.246 | 52% | 0.519 | C | S | . | . | trans | -86.9 | -23 | -177.7 | -67.9 | 166.1 | 0 | 0 | 0 | 113.2 | Y76 V136 T171 V173 | Y76-L78 HydrophobicContact CD2-CD2 4.18Å; Y76-L78 HydrophobicContact CE2-CD2 3.53Å; L78-V136 HydrophobicContact CD1-CG1 3.69Å; L78-T171 WeakPolarHBondContact CB-OG1 3.37Å; L78-T171 PolarHBondContact N-O 3.28Å; L78-V173 HydrophobicContact CD1-CG2 3.67Å; L78-V173 HydrophobicContact CD2-CG2 3.65Å; L78-V173 HydrophobicContact CG-CG2 3.64Å | ||
| 79 | D | 78.5 | Confident | 70.8 | Confident | 37 Ų | 37 | 87 Ų | 87 | 20% | 0.198 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -76.5 | 135.5 | -173.7 | -66.5 | -59 | 0 | 0 | 0 | 112.6 | V77 K159 E170 T171 | V77-D79 HydrophobicContact CG1-CB 4.27Å; D79-K159 VanDerWaalsContact CG-NZ 3.3Å; D79-K159 IonicContact OD1-NZ 3.02Å; D79-K159 PolarHBondContact OD1-NZ 3.37Å; D79-K159 IonicContact OD2-NZ 3.4Å; D79-K159 PolarHBondContact OD2-NZ 2.88Å; D79-E170 VanDerWaalsContact OD2-CA 3.25Å; D79-E170 WeakPolarHBondContact OD2-CA 3.44Å; D79-T171 VanDerWaalsContact CG-OG1 3.3Å; D79-T171 PolarHBondContact OD1-OG1 3.38Å; D79-T171 PolarHBondContact OD2-N 2.97Å; D79-T171 PolarHBondContact OD2-OG1 2.77Å |
| 80 | P | 70.4 | Confident | 73.3 | Confident | 111 Ų | 111 | 85.9 Ų | 85.9 | 72% | 0.721 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 153.6 | -178.8 | 24.7 | -33.4 | 0 | 0 | 0 | 111.9 | A82 K100 | P80-A82 PolarHBondContact O-N 3.29Å; P80-K100 PolarHBondContact O-NZ 3.01Å |
| 81 | A | 65.9 | Low | 75.8 | Confident | 91 Ų | 91 | 82 Ų | 82 | 75% | 0.752 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 139.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 82 | A | 66.8 | Low | 77.9 | Confident | 68 Ų | 68 | 83.2 Ų | 83.2 | 56% | 0.562 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -66 | 137.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | P80 | P80-A82 PolarHBondContact O-N 3.29Š|
| 83 | P | 70.4 | Confident | 79.5 | Confident | 106 Ų | 106 | 78.5 Ų | 78.5 | 69% | 0.688 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 150.1 | 173.8 | 25.1 | -31.9 | 0 | 0 | 0 | 110.5 | L85 | P83-L85 PolarHBondContact O-N 2.99Š|
| 84 | P | 78.4 | Confident | 80.3 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 136.7 | 179.9 | 25.6 | -33.8 | 0 | 0 | 0 | 110.8 | T86 | P84-T86 PolarHBondContact O-N 3.01Š|
| 85 | L | 82.3 | Confident | 80.5 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 42% | 0.419 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 131 | 179.7 | -64.4 | 174.4 | 0 | 0 | 0 | 111.2 | P83 Q89 K90 P97 | P83-L85 PolarHBondContact O-N 2.99Å; L85-Q89 HydrophobicContact CD2-CB 4.47Å; L85-K90 HydrophobicContact CB-CG 4.13Å; L85-P97 HydrophobicContact CD2-CG 4.42Å |
| 86 | T | 86.5 | Confident | 80.1 | Confident | 11 Ų | 11 | 77 Ų | 77 | 7% | 0.067 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 158.3 | 174.3 | 60 | 0 | 0 | 0 | 0 | 111.2 | H24 P84 A88 Q89 K90 | H24-T86 PolarHBondContact ND1-OG1 2.95Å; P84-T86 PolarHBondContact O-N 3.01Å; T86-A88 VanDerWaalsContact C-N 3.25Å; T86-A88 PolarHBondContact O-N 3.48Å; T86-Q89 PolarHBondContact O-N 3.5Å; T86-Q89 VanDerWaalsContact O-N 3.15Å; T86-Q89 VanDerWaalsContact OG1-CG 3.28Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.29Å; T86-Q89 PolarHBondContact OG1-N 2.86Å; T86-Q89 PolarHBondContact OG1-OE1 2.93Å; T86-K90 PolarHBondContact O-N 3.43Å |
| 87 | L | 87.2 | Confident | 79.8 | Confident | 84 Ų | 84 | 74.9 Ų | 74.9 | 44% | 0.44 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.9 | -38.2 | 177.9 | -175.2 | 62.6 | 0 | 0 | 0 | 111.4 | A20 Q89 K90 L91 | A20-L87 HydrophobicContact CB-CB 4.16Å; A20-L87 HydrophobicContact CB-CD2 3.99Å; A20-L87 HydrophobicContact CB-CG 3.96Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 2.91Å; L87-K90 PolarHBondContact O-N 3.38Å; L87-L91 HydrophobicContact CD1-CD1 4.27Å; L87-L91 HydrophobicContact CD1-CG 4.24Å; L87-L91 HydrophobicContact CD2-CD1 4.5Å; L87-L91 HydrophobicContact CG-CD1 3.93Å; L87-L91 HydrophobicContact CG-CG 4.31Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 3.05Å |
| 88 | A | 89.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A20 H24 T86 L91 G92 L93 V94 | A20-A88 HydrophobicContact CB-CB 4.28Å; A20-A88 WeakPolarHBondContact O-CB 3.33Å; H24-A88 HydrophobicContact CB-CB 3.69Å; T86-A88 VanDerWaalsContact C-N 3.25Å; T86-A88 PolarHBondContact O-N 3.48Å; A88-L91 PolarHBondContact O-N 3.26Å; A88-G92 PolarHBondContact O-N 3.22Å; A88-L93 HydrophobicContact CB-CB 4.31Å; A88-L93 PolarHBondContact O-N 3.15Å; A88-V94 HydrophobicContact CB-CG2 4.11Å; A88-V94 PolarHBondContact O-N 3.08Å |
| 89 | Q | 88.5 | Confident | 79 | Confident | 24 Ų | 24 | 83.8 Ų | 83.8 | 11% | 0.112 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 176.2 | -75.4 | 164.1 | -26.2 | 0 | 0 | 111.7 | H24 L85 T86 L87 L91 G92 V94 S96 | H24-Q89 PolarHBondContact CE1-NE2 3.3Å; L85-Q89 HydrophobicContact CD2-CB 4.47Å; T86-Q89 PolarHBondContact O-N 3.5Å; T86-Q89 VanDerWaalsContact O-N 3.15Å; T86-Q89 VanDerWaalsContact OG1-CG 3.28Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.29Å; T86-Q89 PolarHBondContact OG1-N 2.86Å; T86-Q89 PolarHBondContact OG1-OE1 2.93Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 2.91Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; Q89-L91 PolarHBondContact O-N 3.03Å; Q89-G92 PolarHBondContact O-N 3.23Å; Q89-V94 HydrophobicContact CG-CB 4.32Å; Q89-V94 HydrophobicContact CG-CG1 4.5Å; Q89-S96 PolarHBondContact O-OG 3.17Å |
| 90 | K | 86.3 | Confident | 78.9 | Confident | 152 Ų | 152 | 85.5 Ų | 85.5 | 66% | 0.661 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -34.7 | 175.5 | -70 | -177.9 | 179 | -176 | 0 | 112.9 | L85 T86 L87 G92 | L85-K90 HydrophobicContact CB-CG 4.13Å; T86-K90 PolarHBondContact O-N 3.43Å; L87-K90 PolarHBondContact O-N 3.38Å; K90-G92 VanDerWaalsContact C-N 3.26Å |
| 91 | L | 86.8 | Confident | 79.4 | Confident | 88 Ų | 88 | 82.7 Ų | 82.7 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -2.1 | 176.7 | -67.1 | 176.8 | 0 | 0 | 0 | 113.2 | I16 A20 L87 A88 Q89 L93 | I16-L91 HydrophobicContact CG2-CD1 4.36Å; A20-L91 HydrophobicContact CB-CD1 4.04Å; L87-L91 HydrophobicContact CD1-CD1 4.27Å; L87-L91 HydrophobicContact CD1-CG 4.24Å; L87-L91 HydrophobicContact CD2-CD1 4.5Å; L87-L91 HydrophobicContact CG-CD1 3.93Å; L87-L91 HydrophobicContact CG-CG 4.31Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 3.05Å; A88-L91 PolarHBondContact O-N 3.26Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; Q89-L91 PolarHBondContact O-N 3.03Å; L91-L93 HydrophobicContact CB-CD1 4.29Å; L91-L93 HydrophobicContact CB-CG 4.11Å; L91-L93 HydrophobicContact CD1-CD1 4.4Å; L91-L93 PolarHBondContact O-N 3.41Å |
| 92 | G | 83.6 | Confident | 80.2 | Confident | 61 Ų | 61 | 80.4 Ų | 80.4 | 63% | 0.629 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 12.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A88 Q89 K90 V94 | A88-G92 PolarHBondContact O-N 3.22Å; Q89-G92 PolarHBondContact O-N 3.23Å; K90-G92 VanDerWaalsContact C-N 3.26Å; G92-V94 VanDerWaalsContact C-N 3.31Å |
| 93 | L | 85.4 | Confident | 81 | Confident | 77 Ų | 77 | 82.4 Ų | 82.4 | 40% | 0.403 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -72.7 | -27.8 | 176.2 | -61.3 | 174.1 | 0 | 0 | 0 | 111.8 | T17 A20 A88 L91 | T17-L93 HydrophobicContact CG2-CD1 4Å; T17-L93 HydrophobicContact CG2-CD2 4.27Å; A20-L93 HydrophobicContact CB-CD1 4.24Å; A88-L93 HydrophobicContact CB-CB 4.31Å; A88-L93 PolarHBondContact O-N 3.15Å; L91-L93 HydrophobicContact CB-CD1 4.29Å; L91-L93 HydrophobicContact CB-CG 4.11Å; L91-L93 HydrophobicContact CD1-CD1 4.4Å; L91-L93 PolarHBondContact O-N 3.41Å |
| 94 | V | 83.7 | Confident | 81.8 | Confident | 40 Ų | 40 | 82.7 Ų | 82.7 | 24% | 0.242 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -129.7 | 142.5 | 174.4 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | L21 A88 Q89 G92 S96 | L21-V94 HydrophobicContact CD1-CG2 3.82Å; A88-V94 HydrophobicContact CB-CG2 4.11Å; A88-V94 PolarHBondContact O-N 3.08Å; Q89-V94 HydrophobicContact CG-CB 4.32Å; Q89-V94 HydrophobicContact CG-CG1 4.5Å; G92-V94 VanDerWaalsContact C-N 3.31Å; V94-S96 PolarHBondContact O-N 3.45Å |
| 95 | Q | 77.7 | Confident | 82.3 | Confident | 184 Ų | 184 | 81 Ų | 81 | 86% | 0.86 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 126.6 | 176.5 | -67.7 | -170.6 | -2.9 | 0 | 0 | 110.3 | ||
| 96 | S | 74.6 | Confident | 82.7 | Confident | 61 Ų | 61 | 77.4 Ų | 77.4 | 43% | 0.427 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 143.2 | 173.5 | -72.2 | 0 | 0 | 0 | 0 | 109.6 | Q89 V94 | Q89-S96 PolarHBondContact O-OG 3.17Å; V94-S96 PolarHBondContact O-N 3.45Å |
| 97 | P | 73.1 | Confident | 82.7 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 149.4 | 172 | -21.7 | 32.8 | 0 | 0 | 0 | 110.5 | L85 R99 | L85-P97 HydrophobicContact CD2-CG 4.42Å; P97-R99 PolarHBondContact O-N 3.48Å |
| 98 | A | 71.5 | Confident | 82.9 | Confident | 88 Ų | 88 | 81.4 Ų | 81.4 | 73% | 0.727 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -53 | 133.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | K100 | A98-K100 PolarHBondContact O-N 2.88Š|
| 99 | R | 71.9 | Confident | 82.9 | Confident | 208 Ų | 208 | 81.6 Ų | 81.6 | 79% | 0.785 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 137.4 | 177.7 | -175.1 | -175.5 | 172.5 | -178.1 | -1.4 | 109.1 | P97 | P97-R99 PolarHBondContact O-N 3.48Š|
| 100 | K | 76.4 | Confident | 83 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 31% | 0.313 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 147.5 | 172.6 | -66.4 | -152.9 | 172.8 | -168.7 | 0 | 111.7 | P80 A98 T102 E170 | P80-K100 PolarHBondContact O-NZ 3.01Å; A98-K100 PolarHBondContact O-N 2.88Å; K100-T102 PolarHBondContact O-N 2.92Å; K100-E170 WeakPolarHBondContact CA-OE1 3.46Å; K100-E170 WeakPolarHBondContact CB-OE1 3.35Å; K100-E170 WeakPolarHBondContact CD-OE1 3.49Å; K100-E170 WeakPolarHBondContact CG-OE1 3.38Å |
| 101 | L | 80.5 | Confident | 83.1 | Confident | 52 Ų | 52 | 78.8 Ų | 78.8 | 27% | 0.272 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 135.7 | 177 | -69.1 | 175.1 | 0 | 0 | 0 | 110.2 | E105 W106 V109 S139 E170 | L101-E105 VanDerWaalsContact CA-OE2 3.26Å; L101-E105 WeakPolarHBondContact CA-OE2 3.34Å; L101-E105 HydrophobicContact CB-CB 4.23Å; L101-E105 HydrophobicContact CD2-CB 3.95Å; L101-E105 HydrophobicContact CD2-CG 4.46Å; L101-W106 HydrophobicContact CB-CG 4.39Å; L101-W106 HydrophobicContact CD1-CD2 4.36Å; L101-W106 HydrophobicContact CD1-CZ2 4.3Å; L101-V109 HydrophobicContact CD1-CG2 4.38Å; L101-S139 VanDerWaalsContact CD1-CB 3.43Å; L101-E170 PolarHBondContact N-OE1 3Å; L101-E170 PolarHBondContact N-OE2 2.94Å |
| 102 | T | 84.5 | Confident | 83.3 | Confident | 43 Ų | 43 | 80.5 Ų | 80.5 | 26% | 0.264 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 164.5 | 173.2 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | K100 D104 E105 W106 | K100-T102 PolarHBondContact O-N 2.92Å; T102-D104 PolarHBondContact O-N 3.24Å; T102-E105 PolarHBondContact N-OE2 2.88Å; T102-E105 PolarHBondContact O-N 3.22Å; T102-E105 VanDerWaalsContact OG1-CD 3.28Å; T102-E105 VanDerWaalsContact OG1-CG 3.25Å; T102-E105 WeakPolarHBondContact OG1-CG 3.4Å; T102-E105 PolarHBondContact OG1-N 3.19Å; T102-E105 PolarHBondContact OG1-OE2 3.43Å; T102-E105 VanDerWaalsContact OG1-OE2 3.13Å; T102-W106 PolarHBondContact O-N 2.96Å |
| 103 | V | 83.3 | Confident | 83.6 | Confident | 111 Ų | 111 | 77.7 Ų | 77.7 | 67% | 0.673 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.5 | -36.8 | 177.8 | -179.3 | 0 | 0 | 0 | 0 | 111 | W106 S107 | V103-W106 WeakPolarHBondContact O-CB 3.46Å; V103-W106 PolarHBondContact O-N 2.56Å; V103-S107 PolarHBondContact O-N 3.4Å |
| 104 | D | 86.9 | Confident | 83.8 | Confident | 112 Ų | 112 | 78.2 Ų | 78.2 | 60% | 0.599 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -71.4 | -39.1 | 178.2 | -59.7 | -31.7 | 0 | 0 | 0 | 112.2 | T102 W106 S107 Q108 | T102-D104 PolarHBondContact O-N 3.24Å; D104-W106 VanDerWaalsContact C-N 3.29Å; D104-W106 PolarHBondContact O-N 2.79Å; D104-S107 PolarHBondContact O-N 2.62Å; D104-S107 PolarHBondContact O-OG 3.4Å; D104-Q108 WeakPolarHBondContact O-CG 3.49Å; D104-Q108 PolarHBondContact O-N 2.92Å |
| 105 | E | 89.2 | Confident | 83.9 | Confident | 71 Ų | 71 | 84.3 Ų | 84.3 | 33% | 0.332 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 173 | -73.6 | 164.2 | 165.1 | 0 | 0 | 111 | L101 T102 Q108 V109 | L101-E105 VanDerWaalsContact CA-OE2 3.26Å; L101-E105 WeakPolarHBondContact CA-OE2 3.34Å; L101-E105 HydrophobicContact CB-CB 4.23Å; L101-E105 HydrophobicContact CD2-CB 3.95Å; L101-E105 HydrophobicContact CD2-CG 4.46Å; T102-E105 PolarHBondContact N-OE2 2.88Å; T102-E105 PolarHBondContact O-N 3.22Å; T102-E105 VanDerWaalsContact OG1-CD 3.28Å; T102-E105 VanDerWaalsContact OG1-CG 3.25Å; T102-E105 WeakPolarHBondContact OG1-CG 3.4Å; T102-E105 PolarHBondContact OG1-N 3.19Å; T102-E105 PolarHBondContact OG1-OE2 3.43Å; T102-E105 VanDerWaalsContact OG1-OE2 3.13Å; E105-Q108 WeakPolarHBondContact O-CB 3.14Å; E105-Q108 PolarHBondContact O-N 3.45Å; E105-V109 VanDerWaalsContact O-CG2 3.25Å; E105-V109 WeakPolarHBondContact O-CG2 3.28Å; E105-V109 PolarHBondContact O-N 3.45Å |
| 106 | W | 89 | Confident | 84.3 | Confident | 6 Ų | 6 | 80.9 Ų | 80.9 | 2% | 0.023 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 173.6 | -89.6 | 109.9 | 0 | 0 | 0 | 113.1 | L101 T102 V103 D104 Q108 V109 K110 L137 E170 R172 | L101-W106 HydrophobicContact CB-CG 4.39Å; L101-W106 HydrophobicContact CD1-CD2 4.36Å; L101-W106 HydrophobicContact CD1-CZ2 4.3Å; T102-W106 PolarHBondContact O-N 2.96Å; V103-W106 WeakPolarHBondContact O-CB 3.46Å; V103-W106 PolarHBondContact O-N 2.56Å; D104-W106 VanDerWaalsContact C-N 3.29Å; D104-W106 PolarHBondContact O-N 2.79Å; W106-Q108 VanDerWaalsContact C-N 3.3Å; W106-V109 HydrophobicContact CE3-CB 4.35Å; W106-V109 HydrophobicContact CE3-CG1 4.35Å; W106-V109 HydrophobicContact CZ3-CG1 4.3Å; W106-V109 PolarHBondContact O-N 3.36Å; W106-K110 WeakPolarHBondContact O-CB 3.47Å; W106-K110 PolarHBondContact O-N 3.18Å; W106-L137 HydrophobicContact CE3-CD2 4.3Å; W106-L137 WeakPolarHBondContact CH2-O 3.11Å; W106-L137 HydrophobicContact CZ3-CB 4.43Å; W106-L137 HydrophobicContact CZ3-CD2 4.07Å; W106-L137 HydrophobicContact CZ3-CG 4.03Å; W106-E170 HydrophobicContact CH2-CB 4.3Å; W106-E170 HydrophobicContact CZ2-CB 3.58Å; W106-E170 PolarHBondContact NE1-OE2 3.46Å; W106-R172 VanDerWaalsContact CB-NH1 3.31Å; W106-R172 HydrophobicContact CD2-CB 4.37Å; W106-R172 HydrophobicContact CE3-CB 4Å; W106-R172 HydrophobicContact CH2-CB 3.55Å; W106-R172 HydrophobicContact CZ2-CB 3.94Å; W106-R172 HydrophobicContact CZ3-CB 3.58Å |
| 107 | S | 87.4 | Confident | 84.9 | Confident | 58 Ų | 58 | 78.5 Ų | 78.5 | 41% | 0.406 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 175.3 | 74.7 | 0 | 0 | 0 | 0 | 110.6 | V103 D104 K110 S111 | V103-S107 PolarHBondContact O-N 3.4Å; D104-S107 PolarHBondContact O-N 2.62Å; D104-S107 PolarHBondContact O-OG 3.4Å; S107-K110 PolarHBondContact O-N 3.31Å; S107-S111 WeakPolarHBondContact O-CB 3.28Å; S107-S111 PolarHBondContact O-N 3.27Å; S107-S111 PolarHBondContact O-OG 3.5Å |
| 108 | Q | 91.1 | Very high | 85.4 | Confident | 120 Ų | 120 | 76.3 Ų | 76.3 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 173 | -66.6 | 171 | 23.4 | 0 | 0 | 112.8 | D104 E105 W106 K110 S111 R112 | D104-Q108 WeakPolarHBondContact O-CG 3.49Å; D104-Q108 PolarHBondContact O-N 2.92Å; E105-Q108 WeakPolarHBondContact O-CB 3.14Å; E105-Q108 PolarHBondContact O-N 3.45Å; W106-Q108 VanDerWaalsContact C-N 3.3Å; Q108-K110 VanDerWaalsContact C-N 3.3Å; Q108-K110 PolarHBondContact O-N 3.32Å; Q108-S111 PolarHBondContact O-N 3.15Å; Q108-R112 WeakPolarHBondContact O-CG 3.35Å; Q108-R112 PolarHBondContact O-N 3Å |
| 109 | V | 89.8 | Confident | 86.1 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.024 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | L101 E105 W106 R112 S113 L137 L138 | L101-V109 HydrophobicContact CD1-CG2 4.38Å; E105-V109 VanDerWaalsContact O-CG2 3.25Å; E105-V109 WeakPolarHBondContact O-CG2 3.28Å; E105-V109 PolarHBondContact O-N 3.45Å; W106-V109 HydrophobicContact CE3-CB 4.35Å; W106-V109 HydrophobicContact CE3-CG1 4.35Å; W106-V109 HydrophobicContact CZ3-CG1 4.3Å; W106-V109 PolarHBondContact O-N 3.36Å; V109-R112 PolarHBondContact O-N 3.24Å; V109-S113 PolarHBondContact O-N 3.01Å; V109-S113 VanDerWaalsContact O-N 3.1Å; V109-L137 HydrophobicContact CG1-CD1 4.39Å; V109-L137 HydrophobicContact CG1-CD2 4.07Å; V109-L137 HydrophobicContact CG1-CG 4.21Å; V109-L138 WeakPolarHBondContact CG1-O 3.17Å |
| 110 | K | 89.9 | Confident | 86.8 | Confident | 41 Ų | 41 | 68.9 Ų | 68.9 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 177.4 | -171.8 | 178.1 | 179 | -176.9 | 0 | 112 | E75 W106 S107 Q108 R112 S113 I114 L137 D176 | E75-K110 VanDerWaalsContact CD-NZ 3.35Å; E75-K110 WeakPolarHBondContact OE1-CE 3.46Å; E75-K110 IonicContact OE1-NZ 3.09Å; E75-K110 PolarHBondContact OE1-NZ 2.99Å; E75-K110 IonicContact OE2-NZ 2.62Å; E75-K110 PolarHBondContact OE2-NZ 2.74Å; W106-K110 WeakPolarHBondContact O-CB 3.47Å; W106-K110 PolarHBondContact O-N 3.18Å; S107-K110 PolarHBondContact O-N 3.31Å; Q108-K110 VanDerWaalsContact C-N 3.3Å; Q108-K110 PolarHBondContact O-N 3.32Å; K110-R112 VanDerWaalsContact C-N 3.28Å; K110-R112 PolarHBondContact O-N 2.98Å; K110-S113 PolarHBondContact O-N 3.4Å; K110-I114 HydrophobicContact CG-CD1 3.96Å; K110-I114 HydrophobicContact CG-CG1 4.46Å; K110-I114 WeakPolarHBondContact O-CG1 3.34Å; K110-I114 PolarHBondContact O-N 2.95Å; K110-L137 HydrophobicContact CB-CD2 4.03Å; K110-L137 HydrophobicContact CG-CD2 4.37Å; K110-D176 WeakPolarHBondContact CE-OD2 3.4Å; K110-D176 IonicContact NZ-OD1 2.78Å; K110-D176 IonicContact NZ-OD2 3.51Å |
| 111 | S | 88.8 | Confident | 87.3 | Confident | 76 Ų | 76 | 71.2 Ų | 71.2 | 53% | 0.531 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.7 | -39.6 | 176.1 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | S107 Q108 I114 H115 | S107-S111 WeakPolarHBondContact O-CB 3.28Å; S107-S111 PolarHBondContact O-N 3.27Å; S107-S111 PolarHBondContact O-OG 3.5Å; Q108-S111 PolarHBondContact O-N 3.15Å; S111-I114 PolarHBondContact O-N 3.3Å; S111-H115 WeakPolarHBondContact O-CB 3.4Å; S111-H115 PolarHBondContact O-N 2.73Å |
| 112 | R | 91.4 | Very high | 87.9 | Confident | 124 Ų | 124 | 71.4 Ų | 71.4 | 47% | 0.468 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.5 | -49.3 | 174 | -75.5 | -172.8 | -69.2 | 159.7 | -3 | 112.1 | Q108 V109 K110 I114 H115 E116 | Q108-R112 WeakPolarHBondContact O-CG 3.35Å; Q108-R112 PolarHBondContact O-N 3Å; V109-R112 PolarHBondContact O-N 3.24Å; K110-R112 VanDerWaalsContact C-N 3.28Å; K110-R112 PolarHBondContact O-N 2.98Å; R112-I114 VanDerWaalsContact C-N 3.3Å; R112-I114 PolarHBondContact O-N 3.36Å; R112-H115 WeakPolarHBondContact O-CB 3.45Å; R112-H115 PolarHBondContact O-N 3.2Å; R112-H115 VanDerWaalsContact O-N 3.1Å; R112-E116 WeakPolarHBondContact O-CG 3.23Å; R112-E116 PolarHBondContact O-N 3.29Å |
| 113 | S | 90.3 | Very high | 88.3 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.7 | -36 | 179.3 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | V109 K110 G117 D118 S141 V143 | V109-S113 PolarHBondContact O-N 3.01Å; V109-S113 VanDerWaalsContact O-N 3.1Å; K110-S113 PolarHBondContact O-N 3.4Å; S113-G117 PolarHBondContact O-N 3.2Å; S113-D118 WeakPolarHBondContact CA-OD2 3.36Å; S113-D118 WeakPolarHBondContact CB-OD2 3.25Å; S113-D118 PolarHBondContact O-N 2.83Å; S113-D118 VanDerWaalsContact O-N 3.14Å; S113-D118 WeakPolarHBondContact OG-CB 3.28Å; S113-D118 PolarHBondContact OG-OD2 3.4Å; S113-S141 PolarHBondContact OG-O 2.93Å; S113-V143 VanDerWaalsContact OG-CG2 3.27Å; S113-V143 WeakPolarHBondContact OG-CG2 3.34Å |
| 114 | I | 88 | Confident | 88.7 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 45% | 0.446 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 173.2 | -69.3 | 169.2 | 0 | 0 | 0 | 111.2 | K110 S111 R112 G117 | K110-I114 HydrophobicContact CG-CD1 3.96Å; K110-I114 HydrophobicContact CG-CG1 4.46Å; K110-I114 WeakPolarHBondContact O-CG1 3.34Å; K110-I114 PolarHBondContact O-N 2.95Å; S111-I114 PolarHBondContact O-N 3.3Å; R112-I114 VanDerWaalsContact C-N 3.3Å; R112-I114 PolarHBondContact O-N 3.36Å; I114-G117 PolarHBondContact O-N 3.4Å |
| 115 | H | 86.9 | Confident | 89 | Confident | 169 Ų | 169 | 65.5 Ų | 65.5 | 78% | 0.782 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | 179 | 179 | -86 | 0 | 0 | 0 | 111.8 | S111 R112 G117 | S111-H115 WeakPolarHBondContact O-CB 3.4Å; S111-H115 PolarHBondContact O-N 2.73Å; R112-H115 WeakPolarHBondContact O-CB 3.45Å; R112-H115 PolarHBondContact O-N 3.2Å; R112-H115 VanDerWaalsContact O-N 3.1Å; H115-G117 PolarHBondContact O-N 3.46Å |
| 116 | E | 86 | Confident | 89.2 | Confident | 112 Ų | 112 | 64.2 Ų | 64.2 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.7 | -22.6 | 175.1 | -69.9 | 171.6 | 173.8 | 0 | 0 | 111.8 | R112 | R112-E116 WeakPolarHBondContact O-CG 3.23Å; R112-E116 PolarHBondContact O-N 3.29Å |
| 117 | G | 85.9 | Confident | 89.4 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 29.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S113 I114 H115 S119 K120 Q121 | S113-G117 PolarHBondContact O-N 3.2Å; I114-G117 PolarHBondContact O-N 3.4Å; H115-G117 PolarHBondContact O-N 3.46Å; G117-S119 PolarHBondContact O-N 2.72Å; G117-K120 WeakPolarHBondContact O-CB 3.13Å; G117-K120 PolarHBondContact O-N 3.48Å; G117-Q121 PolarHBondContact O-N 3.41Å |
| 118 | D | 84.9 | Confident | 89.6 | Confident | 35 Ų | 35 | 76.6 Ų | 76.6 | 19% | 0.187 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -57 | -38 | -175.7 | -62.4 | -41.4 | 0 | 0 | 0 | 112.4 | S113 K120 Q121 S141 V143 | S113-D118 WeakPolarHBondContact CA-OD2 3.36Å; S113-D118 WeakPolarHBondContact CB-OD2 3.25Å; S113-D118 PolarHBondContact O-N 2.83Å; S113-D118 VanDerWaalsContact O-N 3.14Å; S113-D118 WeakPolarHBondContact OG-CB 3.28Å; S113-D118 PolarHBondContact OG-OD2 3.4Å; D118-K120 PolarHBondContact O-N 3.3Å; D118-Q121 PolarHBondContact O-N 2.7Å; D118-Q121 VanDerWaalsContact O-N 3.12Å; D118-S141 VanDerWaalsContact OD2-O 3.11Å; D118-V143 HydrophobicContact CB-CB 4.1Å; D118-V143 HydrophobicContact CB-CG2 3.81Å |
| 119 | S | 85.7 | Confident | 89.6 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -70.2 | -12.5 | 178.8 | -48.2 | 0 | 0 | 0 | 0 | 113.9 | G117 | G117-S119 PolarHBondContact O-N 2.72Š|
| 120 | K | 86.4 | Confident | 89.6 | Confident | 127 Ų | 127 | 74.9 Ų | 74.9 | 55% | 0.552 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -86.1 | -28.1 | 171.8 | -65 | 175.4 | -178.7 | 172.5 | 0 | 111.7 | G117 D118 L180 | G117-K120 WeakPolarHBondContact O-CB 3.13Å; G117-K120 PolarHBondContact O-N 3.48Å; D118-K120 PolarHBondContact O-N 3.3Å; K120-L180 HydrophobicContact CG-CD1 3.71Å |
| 121 | Q | 88.1 | Confident | 89.6 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -77.7 | 152.6 | 177.3 | -61.9 | -59.7 | -22.6 | 0 | 0 | 110.2 | G117 D118 F130 | G117-Q121 PolarHBondContact O-N 3.41Å; D118-Q121 PolarHBondContact O-N 2.7Å; D118-Q121 VanDerWaalsContact O-N 3.12Å; Q121-F130 WeakPolarHBondContact O-CD2 3.46Å; Q121-F130 WeakPolarHBondContact O-CE2 3.07Å |
| 122 | P | 92.5 | Very high | 89.7 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 154.7 | 173.6 | 29 | -34.1 | 0 | 0 | 0 | 110.8 | V124 E128 | P122-V124 PolarHBondContact O-N 3.37Å; P122-E128 CarbonylContact C-O 3.52Å; P122-E128 WeakPolarHBondContact CA-O 3.02Å |
| 123 | C | 92.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 126.9 | 173.9 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | I125 R127 E128 F130 H145 | C123-I125 PolarHBondContact O-N 3.3Å; C123-I125 VanDerWaalsContact O-N 3.15Å; C123-R127 WeakPolarHBondContact O-CA 3.4Å; C123-R127 PolarHBondContact O-N 2.9Å; C123-E128 PolarHBondContact N-O 3.13Å; C123-F130 HydrophobicContact CB-CD1 4.37Å; C123-F130 HydrophobicContact CB-CE1 3.65Å; C123-F130 HydrophobicContact CB-CZ 3.91Å; C123-H145 WeakPolarHBondContact CB-CE1 3.26Å; C123-H145 WeakPolarHBondContact CB-ND1 3.02Å; C123-H145 PolarHBondContact SG-ND1 2.97Å |
| 124 | V | 92 | Very high | 89.5 | Confident | 76 Ų | 76 | 83.7 Ų | 83.7 | 46% | 0.461 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.7 | -175.4 | -60.2 | 0 | 0 | 0 | 0 | 114.3 | P122 F144 M163 | P122-V124 PolarHBondContact O-N 3.37Å; V124-F144 HydrophobicContact CG2-CD1 3.88Å; V124-F144 HydrophobicContact CG2-CE1 3.28Å; V124-F144 HydrophobicContact CG2-CZ 4.26Å; V124-M163 HydrophobicContact CG1-CE 4.46Å; V124-M163 HydrophobicContact CG1-SD 3.87Å; V124-M163 HydrophobicContact CG2-CE 4.13Å; V124-M163 HydrophobicContact CG2-CG 3.89Å; V124-M163 HydrophobicContact CG2-SD 4.01Å |
| 125 | I | 92.8 | Very high | 89.8 | Confident | 65 Ų | 65 | 79.6 Ų | 79.6 | 33% | 0.333 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -54 | 179.4 | -57.9 | 169.2 | 0 | 0 | 0 | 110.7 | C123 F144 C148 F152 P162 | C123-I125 PolarHBondContact O-N 3.3Å; C123-I125 VanDerWaalsContact O-N 3.15Å; I125-F144 HydrophobicContact CD1-CB 4.47Å; I125-F144 HydrophobicContact CD1-CD1 3.6Å; I125-F144 HydrophobicContact CD1-CE1 4.17Å; I125-F144 HydrophobicContact CD1-CG 4.28Å; I125-F144 HydrophobicContact CG1-CD1 3.85Å; I125-F144 HydrophobicContact CG1-CE1 4.17Å; I125-C148 HydrophobicContact CB-CB 3.96Å; I125-C148 HydrophobicContact CD1-CB 3.75Å; I125-C148 HydrophobicContact CG1-CB 4.46Å; I125-C148 HydrophobicContact CG2-CB 3.99Å; I125-F152 HydrophobicContact CD1-CB 4.29Å; I125-P162 HydrophobicContact CD1-CG 4Å; I125-P162 HydrophobicContact CG1-CB 4.49Å; I125-P162 HydrophobicContact CG1-CG 4.33Å |
| 126 | C | 93.4 | Very high | 90.1 | Very high | 44 Ų | 44 | 71.7 Ų | 71.7 | 30% | 0.297 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -10.2 | -177.1 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | E128 H145 | C126-E128 HydrophobicContact CB-CG 4.42Å; C126-E128 PolarHBondContact O-N 2.88Å; C126-H145 PolarHBondContact SG-CE1 3.02Å; C126-H145 PolarHBondContact SG-ND1 3.29Å |
| 127 | R | 92.4 | Very high | 90.4 | Very high | 214 Ų | 214 | 66.4 Ų | 66.4 | 81% | 0.808 | 32% | 0.322 | S | S | * | . | trans | 61.7 | 18.8 | -175.3 | -53.4 | -179 | 177.8 | 179.2 | -1.3 | 114.8 | C123 | C123-R127 WeakPolarHBondContact O-CA 3.4Å; C123-R127 PolarHBondContact O-N 2.9Å | ||
| 128 | E | 92.4 | Very high | 90.8 | Very high | 110 Ų | 110 | 65.9 Ų | 65.9 | 51% | 0.514 | 32% | 0.317 | S | S | . | . | trans | -99.5 | 151.4 | 177.1 | -61.3 | -178.6 | 176.2 | 0 | 0 | 112.1 | P122 C123 C126 | P122-E128 CarbonylContact C-O 3.52Å; P122-E128 WeakPolarHBondContact CA-O 3.02Å; C123-E128 PolarHBondContact N-O 3.13Å; C126-E128 HydrophobicContact CB-CG 4.42Å; C126-E128 PolarHBondContact O-N 2.88Å | ||
| 129 | E | 91.4 | Very high | 91.1 | Very high | 82 Ų | 82 | 65 Ų | 65 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | trans | -64.1 | 147.6 | 169.7 | -65.7 | -173 | 144.9 | 0 | 0 | 111.3 | R131 R184 | E129-R131 HydrophobicContact CB-CG 4.09Å; E129-R131 PolarHBondContact O-N 2.76Å; E129-R131 IonicContact OE2-NE 3.85Å; E129-R184 IonicContact OE1-NH1 3.4Å; E129-R184 PolarHBondContact OE1-NH1 3.48Å | ||
| 130 | F | 90.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 65 Ų | 65 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | trans | -65.6 | -33.8 | -177.1 | -65.8 | -70.5 | 0 | 0 | 0 | 115.1 | Q121 C123 L132 Q133 Q135 V143 H145 | Q121-F130 WeakPolarHBondContact O-CD2 3.46Å; Q121-F130 WeakPolarHBondContact O-CE2 3.07Å; C123-F130 HydrophobicContact CB-CD1 4.37Å; C123-F130 HydrophobicContact CB-CE1 3.65Å; C123-F130 HydrophobicContact CB-CZ 3.91Å; F130-L132 PolarHBondContact O-N 3.27Å; F130-Q133 WeakPolarHBondContact O-CB 3.38Å; F130-Q133 PolarHBondContact O-N 3.31Å; F130-Q135 VanDerWaalsContact CB-CD 3.44Å; F130-Q135 HydrophobicContact CB-CG 3.72Å; F130-Q135 HydrophobicContact CD1-CG 3.47Å; F130-Q135 VanDerWaalsContact CD1-CG 3.47Å; F130-Q135 HydrophobicContact CE1-CG 4.23Å; F130-Q135 HydrophobicContact CG-CG 3.7Å; F130-V143 HydrophobicContact CE1-CG1 4.1Å; F130-V143 HydrophobicContact CE2-CG1 4.12Å; F130-V143 HydrophobicContact CZ-CB 4.34Å; F130-V143 HydrophobicContact CZ-CG1 3.71Å; F130-H145 WeakPolarHBondContact CA-NE2 3.42Å; F130-H145 AromaticContact CD1-CD2 3.54Å; F130-H145 AromaticContact CD1-CE1 3.9Å; F130-H145 AromaticContact CD1-CG 3.98Å; F130-H145 AromaticContact CD1-NE2 3.51Å | ||
| 131 | R | 89.4 | Confident | 91.5 | Very high | 144 Ų | 144 | 59.6 Ų | 59.6 | 54% | 0.543 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.9 | -130.2 | 179.7 | -57 | -174.1 | -179.8 | 166.1 | 3.4 | 111.7 | E129 Q133 A178 F181 | E129-R131 HydrophobicContact CB-CG 4.09Å; E129-R131 PolarHBondContact O-N 2.76Å; E129-R131 IonicContact OE2-NE 3.85Å; R131-Q133 VanDerWaalsContact C-N 3.35Å; R131-A178 WeakPolarHBondContact O-CA 3.38Å; R131-A178 WeakPolarHBondContact O-CB 3.33Å; R131-A178 PolarHBondContact O-N 3.25Å; R131-F181 HydrophobicContact CB-CD1 4.22Å; R131-F181 HydrophobicContact CB-CD2 4.06Å; R131-F181 HydrophobicContact CB-CE1 4.32Å; R131-F181 HydrophobicContact CB-CE2 4.17Å; R131-F181 HydrophobicContact CB-CG 4.09Å; R131-F181 HydrophobicContact CB-CZ 4.29Å; R131-F181 HydrophobicContact CG-CD2 3.81Å; R131-F181 HydrophobicContact CG-CE2 3.74Å; R131-F181 HydrophobicContact CG-CG 4.35Å; R131-F181 HydrophobicContact CG-CZ 4.23Å |
| 132 | L | 90.6 | Very high | 91.7 | Very high | 117 Ų | 117 | 55.6 Ų | 55.6 | 61% | 0.613 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 3.8 | 179.2 | -60.3 | 176.4 | 0 | 0 | 0 | 113.5 | F130 F181 K182 | F130-L132 PolarHBondContact O-N 3.27Å; L132-F181 HydrophobicContact CD1-CE1 4.45Å; L132-F181 HydrophobicContact CD2-CD1 3.95Å; L132-F181 HydrophobicContact CD2-CE1 4.41Å; L132-F181 HydrophobicContact CG-CD1 3.95Å; L132-F181 HydrophobicContact CG-CE1 4.02Å; L132-K182 HydrophobicContact CD2-CG 4.28Å |
| 133 | Q | 87.8 | Confident | 91.8 | Very high | 97 Ų | 97 | 53.2 Ų | 53.2 | 45% | 0.453 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -75.4 | 151.5 | -179.2 | -65.8 | 180 | -12.7 | 0 | 0 | 110.7 | F130 R131 Q135 H145 | F130-Q133 WeakPolarHBondContact O-CB 3.38Å; F130-Q133 PolarHBondContact O-N 3.31Å; R131-Q133 VanDerWaalsContact C-N 3.35Å; Q133-Q135 PolarHBondContact O-N 2.96Å; Q133-Q135 PolarHBondContact O-NE2 2.87Å; Q133-H145 PolarHBondContact OE1-CD2 3.12Å; Q133-H145 PolarHBondContact OE1-NE2 3.43Å |
| 134 | T | 90.3 | Very high | 91.9 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 44% | 0.436 | 26% | 0.257 | S | S | . | . | trans | -66.1 | 124.4 | 179.8 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | H145 R146 | T134-H145 WeakPolarHBondContact O-CA 3.48Å; T134-R146 PolarHBondContact O-N 3.22Å; T134-R146 WeakPolarHBondContact OG1-CB 3.43Å | ||
| 135 | Q | 92.6 | Very high | 92 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 147.7 | -179.1 | -70.1 | 152.5 | 58.4 | 0 | 0 | 110.4 | F130 Q133 V143 F144 V173 I174 A178 | F130-Q135 VanDerWaalsContact CB-CD 3.44Å; F130-Q135 HydrophobicContact CB-CG 3.72Å; F130-Q135 HydrophobicContact CD1-CG 3.47Å; F130-Q135 VanDerWaalsContact CD1-CG 3.47Å; F130-Q135 HydrophobicContact CE1-CG 4.23Å; F130-Q135 HydrophobicContact CG-CG 3.7Å; Q133-Q135 PolarHBondContact O-N 2.96Å; Q133-Q135 PolarHBondContact O-NE2 2.87Å; Q135-V143 HydrophobicContact CB-CG1 4.45Å; Q135-F144 WeakPolarHBondContact CA-O 3.26Å; Q135-V173 WeakPolarHBondContact O-CA 3.25Å; Q135-I174 HydrophobicContact CB-CD1 4.39Å; Q135-I174 HydrophobicContact CB-CG1 3.73Å; Q135-I174 WeakPolarHBondContact CB-O 3.35Å; Q135-I174 PolarHBondContact O-N 2.73Å; Q135-A178 VanDerWaalsContact NE2-N 3.12Å |
| 136 | V | 93.3 | Very high | 92 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.9 | 176.4 | -67.6 | 0 | 0 | 0 | 0 | 109.8 | L78 V143 F144 R146 L149 R172 V173 | L78-V136 HydrophobicContact CD1-CG1 3.69Å; V136-V143 WeakPolarHBondContact O-CA 3.49Å; V136-F144 HydrophobicContact CG2-CB 4.27Å; V136-F144 WeakPolarHBondContact CG2-O 3.25Å; V136-F144 PolarHBondContact N-O 3.1Å; V136-F144 PolarHBondContact O-N 2.9Å; V136-R146 HydrophobicContact CG1-CB 3.91Å; V136-R146 HydrophobicContact CG1-CG 4.25Å; V136-L149 HydrophobicContact CG2-CB 4.23Å; V136-L149 HydrophobicContact CG2-CD2 3.71Å; V136-R172 CarbonylContact C-O 3.6Å; V136-R172 VanDerWaalsContact CA-O 3.28Å; V136-R172 WeakPolarHBondContact CA-O 3.33Å; V136-V173 HydrophobicContact CG1-CG2 4.4Å |
| 137 | L | 94.3 | Very high | 92 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.2 | 171.4 | 179.9 | 65.3 | 0 | 0 | 0 | 108.7 | W106 V109 K110 S141 V143 R172 I174 | W106-L137 HydrophobicContact CE3-CD2 4.3Å; W106-L137 WeakPolarHBondContact CH2-O 3.11Å; W106-L137 HydrophobicContact CZ3-CB 4.43Å; W106-L137 HydrophobicContact CZ3-CD2 4.07Å; W106-L137 HydrophobicContact CZ3-CG 4.03Å; V109-L137 HydrophobicContact CG1-CD1 4.39Å; V109-L137 HydrophobicContact CG1-CD2 4.07Å; V109-L137 HydrophobicContact CG1-CG 4.21Å; K110-L137 HydrophobicContact CB-CD2 4.03Å; K110-L137 HydrophobicContact CG-CD2 4.37Å; L137-S141 WeakPolarHBondContact CD1-O 3.34Å; L137-V143 HydrophobicContact CD1-CG2 3.64Å; L137-R172 PolarHBondContact N-O 2.59Å; L137-R172 PolarHBondContact O-N 3.44Å; L137-I174 HydrophobicContact CB-CD1 4.12Å; L137-I174 HydrophobicContact CB-CG1 4.26Å; L137-I174 HydrophobicContact CB-CG2 3.66Å; L137-I174 HydrophobicContact CD2-CG2 4.18Å |
| 138 | L | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 158 | 176.3 | -55.5 | -166.8 | 0 | 0 | 0 | 111.3 | V109 C140 S141 H142 F144 L149 C161 Y169 E170 T171 | V109-L138 WeakPolarHBondContact CG1-O 3.17Å; L138-C140 VanDerWaalsContact CB-SG 3.52Å; L138-C140 PolarHBondContact O-N 2.84Å; L138-S141 PolarHBondContact O-N 2.78Å; L138-H142 PolarHBondContact N-O 2.96Å; L138-F144 HydrophobicContact CD1-CD2 4.02Å; L138-F144 HydrophobicContact CD1-CE2 3.57Å; L138-F144 HydrophobicContact CG-CD2 4.14Å; L138-F144 HydrophobicContact CG-CE2 4.05Å; L138-L149 HydrophobicContact CD1-CD1 4.43Å; L138-L149 HydrophobicContact CD2-CD2 3.71Å; L138-C161 HydrophobicContact CD1-CB 4.04Å; L138-Y169 HydrophobicContact CB-CD2 4.38Å; L138-Y169 HydrophobicContact CB-CG 4.47Å; L138-Y169 HydrophobicContact CD1-CD1 4.16Å; L138-Y169 HydrophobicContact CD1-CD2 4.04Å; L138-Y169 HydrophobicContact CD1-CE1 4.15Å; L138-Y169 HydrophobicContact CD1-CE2 4.05Å; L138-Y169 HydrophobicContact CD1-CG 4.09Å; L138-Y169 HydrophobicContact CD2-CD2 3.51Å; L138-Y169 HydrophobicContact CD2-CE2 3.5Å; L138-Y169 HydrophobicContact CD2-CG 4.32Å; L138-Y169 HydrophobicContact CG-CD2 4.19Å; L138-Y169 HydrophobicContact CG-CE2 4.37Å; L138-E170 CarbonylContact C-O 3.52Å; L138-E170 WeakPolarHBondContact CA-O 3.35Å; L138-T171 HydrophobicContact CD2-CG2 3.69Å |
| 139 | S | 90.7 | Very high | 92.2 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -12.9 | 171.2 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | L101 Y169 E170 | L101-S139 VanDerWaalsContact CD1-CB 3.43Å; S139-Y169 WeakPolarHBondContact OG-CA 3.34Å; S139-Y169 VanDerWaalsContact OG-CB 3.28Å; S139-Y169 WeakPolarHBondContact OG-CB 3.5Å; S139-E170 PolarHBondContact N-O 2.94Å; S139-E170 PolarHBondContact OG-N 2.92Å |
| 140 | C | 90.6 | Very high | 92.2 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 24.3 | 172.8 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | L138 H142 C164 K166 | L138-C140 VanDerWaalsContact CB-SG 3.52Å; L138-C140 PolarHBondContact O-N 2.84Å; C140-H142 PolarHBondContact O-CE1 2.92Å; C140-H142 PolarHBondContact O-N 2.92Å; C140-H142 PolarHBondContact O-ND1 3.41Å; C140-H142 PolarHBondContact SG-ND1 3.22Å; C140-H142 VanDerWaalsContact SG-ND1 3.36Å; C140-C164 VanDerWaalsContact SG-SG 3.66Å; C140-K166 HydrophobicContact CB-CB 4.47Å; C140-K166 HydrophobicContact CB-CD 3.97Å |
| 141 | S | 91.4 | Very high | 92.4 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 61.7 | -4.9 | -178.5 | 56.6 | 0 | 0 | 0 | 0 | 117.5 | S113 D118 L137 L138 | S113-S141 PolarHBondContact OG-O 2.93Å; D118-S141 VanDerWaalsContact OD2-O 3.11Å; L137-S141 WeakPolarHBondContact CD1-O 3.34Å; L138-S141 PolarHBondContact O-N 2.78Å |
| 142 | H | 92 | Very high | 92.6 | Very high | 37 Ų | 37 | 34.1 Ų | 34.1 | 17% | 0.171 | 19% | 0.192 | C | C | . | . | trans | -76.7 | 144.1 | 178.5 | -65.2 | 122.7 | 0 | 0 | 0 | 114.8 | L138 C140 F144 C161 M163 C164 | L138-H142 PolarHBondContact N-O 2.96Å; C140-H142 PolarHBondContact O-CE1 2.92Å; C140-H142 PolarHBondContact O-N 2.92Å; C140-H142 PolarHBondContact O-ND1 3.41Å; C140-H142 PolarHBondContact SG-ND1 3.22Å; C140-H142 VanDerWaalsContact SG-ND1 3.36Å; H142-F144 HydrophobicContact CB-CE2 3.55Å; H142-F144 HydrophobicContact CB-CZ 3.97Å; H142-C161 PolarHBondContact ND1-SG 3.45Å; H142-M163 HydrophobicContact CB-CE 3.37Å; H142-M163 WeakPolarHBondContact CD2-CE 3.36Å; H142-C164 PolarHBondContact CE1-SG 3.33Å | ||
| 143 | V | 93.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.1 | -178.8 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | S113 D118 F130 Q135 V136 L137 I174 | S113-V143 VanDerWaalsContact OG-CG2 3.27Å; S113-V143 WeakPolarHBondContact OG-CG2 3.34Å; D118-V143 HydrophobicContact CB-CB 4.1Å; D118-V143 HydrophobicContact CB-CG2 3.81Å; F130-V143 HydrophobicContact CE1-CG1 4.1Å; F130-V143 HydrophobicContact CE2-CG1 4.12Å; F130-V143 HydrophobicContact CZ-CB 4.34Å; F130-V143 HydrophobicContact CZ-CG1 3.71Å; Q135-V143 HydrophobicContact CB-CG1 4.45Å; V136-V143 WeakPolarHBondContact O-CA 3.49Å; L137-V143 HydrophobicContact CD1-CG2 3.64Å; V143-I174 HydrophobicContact CG1-CD1 3.88Å; V143-I174 HydrophobicContact CG2-CD1 3.93Å |
| 144 | F | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 166 | 177.7 | -53.6 | -90.2 | 0 | 0 | 0 | 111.5 | V124 I125 Q135 V136 L138 H142 L149 P162 M163 | V124-F144 HydrophobicContact CG2-CD1 3.88Å; V124-F144 HydrophobicContact CG2-CE1 3.28Å; V124-F144 HydrophobicContact CG2-CZ 4.26Å; I125-F144 HydrophobicContact CD1-CB 4.47Å; I125-F144 HydrophobicContact CD1-CD1 3.6Å; I125-F144 HydrophobicContact CD1-CE1 4.17Å; I125-F144 HydrophobicContact CD1-CG 4.28Å; I125-F144 HydrophobicContact CG1-CD1 3.85Å; I125-F144 HydrophobicContact CG1-CE1 4.17Å; Q135-F144 WeakPolarHBondContact CA-O 3.26Å; V136-F144 HydrophobicContact CG2-CB 4.27Å; V136-F144 WeakPolarHBondContact CG2-O 3.25Å; V136-F144 PolarHBondContact N-O 3.1Å; V136-F144 PolarHBondContact O-N 2.9Å; L138-F144 HydrophobicContact CD1-CD2 4.02Å; L138-F144 HydrophobicContact CD1-CE2 3.57Å; L138-F144 HydrophobicContact CG-CD2 4.14Å; L138-F144 HydrophobicContact CG-CE2 4.05Å; H142-F144 HydrophobicContact CB-CE2 3.55Å; H142-F144 HydrophobicContact CB-CZ 3.97Å; F144-L149 HydrophobicContact CB-CB 4.29Å; F144-L149 HydrophobicContact CD2-CD1 4.2Å; F144-L149 HydrophobicContact CG-CD1 4.45Å; F144-P162 HydrophobicContact CD1-CG 4.39Å; F144-P162 HydrophobicContact CE1-CB 3.88Å; F144-P162 HydrophobicContact CE1-CG 3.72Å; F144-P162 HydrophobicContact CZ-CB 4.08Å; F144-P162 HydrophobicContact CZ-CG 3.84Å; F144-M163 HydrophobicContact CE1-CE 3.87Å; F144-M163 HydrophobicContact CE1-CG 4.44Å; F144-M163 HydrophobicContact CE2-CE 4.1Å; F144-M163 HydrophobicContact CZ-CE 3.42Å; F144-M163 VanDerWaalsContact CZ-CE 3.42Å; F144-M163 HydrophobicContact CZ-CG 4.16Å |
| 145 | H | 94.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 141.7 | 162.5 | -58.9 | 107.7 | 0 | 0 | 0 | 109.5 | C123 C126 F130 Q133 T134 A147 C148 L149 | C123-H145 WeakPolarHBondContact CB-CE1 3.26Å; C123-H145 WeakPolarHBondContact CB-ND1 3.02Å; C123-H145 PolarHBondContact SG-ND1 2.97Å; C126-H145 PolarHBondContact SG-CE1 3.02Å; C126-H145 PolarHBondContact SG-ND1 3.29Å; F130-H145 WeakPolarHBondContact CA-NE2 3.42Å; F130-H145 AromaticContact CD1-CD2 3.54Å; F130-H145 AromaticContact CD1-CE1 3.9Å; F130-H145 AromaticContact CD1-CG 3.98Å; F130-H145 AromaticContact CD1-NE2 3.51Å; Q133-H145 PolarHBondContact OE1-CD2 3.12Å; Q133-H145 PolarHBondContact OE1-NE2 3.43Å; T134-H145 WeakPolarHBondContact O-CA 3.48Å; H145-A147 VanDerWaalsContact C-N 3.26Å; H145-A147 PolarHBondContact O-N 3.35Å; H145-C148 HydrophobicContact CB-CB 3.97Å; H145-C148 PolarHBondContact O-N 2.9Å; H145-L149 PolarHBondContact O-N 3.14Å |
| 146 | R | 92.8 | Very high | 92.9 | Very high | 81 Ų | 81 | 43 Ų | 43 | 31% | 0.306 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.1 | -44.7 | 175.1 | -178.9 | 176.6 | 163.5 | 76.6 | -4.8 | 111.6 | T134 V136 Q150 | T134-R146 PolarHBondContact O-N 3.22Å; T134-R146 WeakPolarHBondContact OG1-CB 3.43Å; V136-R146 HydrophobicContact CG1-CB 3.91Å; V136-R146 HydrophobicContact CG1-CG 4.25Å; R146-Q150 WeakPolarHBondContact O-CB 3.28Å; R146-Q150 VanDerWaalsContact O-CG 3.26Å; R146-Q150 WeakPolarHBondContact O-CG 3.48Å; R146-Q150 PolarHBondContact O-N 2.91Å |
| 147 | A | 93.9 | Very high | 92.6 | Very high | 67 Ų | 67 | 46.1 Ų | 46.1 | 55% | 0.554 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.7 | -43.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | H145 Q150 A151 | H145-A147 VanDerWaalsContact C-N 3.26Å; H145-A147 PolarHBondContact O-N 3.35Å; A147-Q150 PolarHBondContact O-N 3.21Å; A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 3.1Å |
| 148 | C | 94.2 | Very high | 92.3 | Very high | 23 Ų | 23 | 54.1 Ų | 54.1 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 179.3 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | I125 H145 A151 F152 | I125-C148 HydrophobicContact CB-CB 3.96Å; I125-C148 HydrophobicContact CD1-CB 3.75Å; I125-C148 HydrophobicContact CG1-CB 4.46Å; I125-C148 HydrophobicContact CG2-CB 3.99Å; H145-C148 HydrophobicContact CB-CB 3.97Å; H145-C148 PolarHBondContact O-N 2.9Å; C148-A151 PolarHBondContact O-N 3.19Å; C148-F152 WeakPolarHBondContact O-CB 3.47Å; C148-F152 PolarHBondContact O-N 3.39Å |
| 149 | L | 93.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 176.2 | -173 | 70.8 | 0 | 0 | 0 | 111.2 | V136 L138 F144 H145 A151 F152 E153 P162 Y169 T171 | V136-L149 HydrophobicContact CG2-CB 4.23Å; V136-L149 HydrophobicContact CG2-CD2 3.71Å; L138-L149 HydrophobicContact CD1-CD1 4.43Å; L138-L149 HydrophobicContact CD2-CD2 3.71Å; F144-L149 HydrophobicContact CB-CB 4.29Å; F144-L149 HydrophobicContact CD2-CD1 4.2Å; F144-L149 HydrophobicContact CG-CD1 4.45Å; H145-L149 PolarHBondContact O-N 3.14Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.49Å; L149-F152 WeakPolarHBondContact O-CB 3.48Å; L149-F152 PolarHBondContact O-N 3.01Å; L149-E153 WeakPolarHBondContact O-CG 3.38Å; L149-E153 PolarHBondContact O-N 2.85Å; L149-P162 HydrophobicContact CD1-CG 4.32Å; L149-Y169 HydrophobicContact CD2-CE2 4.16Å; L149-T171 HydrophobicContact CD2-CG2 4.13Å |
| 150 | Q | 92.7 | Very high | 92.1 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 177 | -76.1 | -179.2 | -12.1 | 0 | 0 | 112.6 | R146 A147 F152 R154 | R146-Q150 WeakPolarHBondContact O-CB 3.28Å; R146-Q150 VanDerWaalsContact O-CG 3.26Å; R146-Q150 WeakPolarHBondContact O-CG 3.48Å; R146-Q150 PolarHBondContact O-N 2.91Å; A147-Q150 PolarHBondContact O-N 3.21Å; Q150-F152 VanDerWaalsContact C-N 3.34Å; Q150-R154 WeakPolarHBondContact O-CB 3.12Å; Q150-R154 VanDerWaalsContact O-CG 3.23Å; Q150-R154 WeakPolarHBondContact O-CG 3.45Å; Q150-R154 PolarHBondContact O-N 3.37Å |
| 151 | A | 94.3 | Very high | 92.2 | Very high | 54 Ų | 54 | 57 Ų | 57 | 45% | 0.446 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A147 C148 L149 R154 F155 | A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 3.1Å; C148-A151 PolarHBondContact O-N 3.19Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.49Å; A151-R154 PolarHBondContact O-N 3.36Å; A151-F155 WeakPolarHBondContact O-CB 3.32Å; A151-F155 PolarHBondContact O-N 2.91Å |
| 152 | F | 93.4 | Very high | 92.2 | Very high | 53 Ų | 53 | 58.2 Ų | 58.2 | 23% | 0.232 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | 176.4 | 178.4 | -92.7 | 0 | 0 | 0 | 112.6 | I125 C148 L149 Q150 R154 F155 S156 C160 P162 | I125-F152 HydrophobicContact CD1-CB 4.29Å; C148-F152 WeakPolarHBondContact O-CB 3.47Å; C148-F152 PolarHBondContact O-N 3.39Å; L149-F152 WeakPolarHBondContact O-CB 3.48Å; L149-F152 PolarHBondContact O-N 3.01Å; Q150-F152 VanDerWaalsContact C-N 3.34Å; F152-R154 VanDerWaalsContact C-N 3.33Å; F152-R154 PolarHBondContact O-N 3.37Å; F152-F155 PolarHBondContact O-N 3.46Å; F152-S156 VanDerWaalsContact CZ-OG 3.31Å; F152-S156 WeakPolarHBondContact CZ-OG 3.48Å; F152-S156 WeakPolarHBondContact O-CB 3.27Å; F152-S156 PolarHBondContact O-N 3.3Å; F152-S156 PolarHBondContact O-OG 2.97Å; F152-C160 VanDerWaalsContact CE1-O 3.28Å; F152-C160 WeakPolarHBondContact CE1-O 3.45Å; F152-P162 HydrophobicContact CD1-CG 3.75Å; F152-P162 HydrophobicContact CD2-CG 4.25Å; F152-P162 HydrophobicContact CE1-CB 4.45Å; F152-P162 HydrophobicContact CE1-CG 3.88Å; F152-P162 HydrophobicContact CE2-CB 4.33Å; F152-P162 HydrophobicContact CE2-CG 4.36Å; F152-P162 HydrophobicContact CG-CG 3.94Å; F152-P162 HydrophobicContact CZ-CB 4.28Å; F152-P162 HydrophobicContact CZ-CG 4.18Å |
| 153 | E | 92.9 | Very high | 92.1 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 23% | 0.229 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.5 | -73 | 172 | 169.7 | 0 | 0 | 111.3 | L149 G157 Y169 | L149-E153 WeakPolarHBondContact O-CG 3.38Å; L149-E153 PolarHBondContact O-N 2.85Å; E153-G157 WeakPolarHBondContact O-CA 3.33Å; E153-G157 PolarHBondContact O-N 3.37Å; E153-Y169 PolarHBondContact OE1-OH 2.98Å |
| 154 | R | 92.9 | Very high | 92 | Very high | 196 Ų | 196 | 62.7 Ų | 62.7 | 74% | 0.74 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 175.7 | -73.1 | 172.1 | -172.7 | 171 | 3.5 | 112.4 | Q150 A151 F152 | Q150-R154 WeakPolarHBondContact O-CB 3.12Å; Q150-R154 VanDerWaalsContact O-CG 3.23Å; Q150-R154 WeakPolarHBondContact O-CG 3.45Å; Q150-R154 PolarHBondContact O-N 3.37Å; A151-R154 PolarHBondContact O-N 3.36Å; F152-R154 VanDerWaalsContact C-N 3.33Å; F152-R154 PolarHBondContact O-N 3.37Å |
| 155 | F | 92.6 | Very high | 91.8 | Very high | 185 Ų | 185 | 72.7 Ų | 72.7 | 81% | 0.811 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.5 | -44.1 | 179.7 | 179.2 | -99.7 | 0 | 0 | 0 | 112.3 | A151 F152 G157 | A151-F155 WeakPolarHBondContact O-CB 3.32Å; A151-F155 PolarHBondContact O-N 2.91Å; F152-F155 PolarHBondContact O-N 3.46Å; F155-G157 VanDerWaalsContact C-N 3.32Å |
| 156 | S | 89.5 | Confident | 91.5 | Very high | 43 Ų | 43 | 77.8 Ų | 77.8 | 30% | 0.301 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -78.9 | -17.8 | -177.4 | -54.9 | 0 | 0 | 0 | 0 | 113 | F152 R158 | F152-S156 VanDerWaalsContact CZ-OG 3.31Å; F152-S156 WeakPolarHBondContact CZ-OG 3.48Å; F152-S156 WeakPolarHBondContact O-CB 3.27Å; F152-S156 PolarHBondContact O-N 3.3Å; F152-S156 PolarHBondContact O-OG 2.97Å; S156-R158 PolarHBondContact O-N 3.04Å; S156-R158 VanDerWaalsContact O-N 3.1Å |
| 157 | G | 86.8 | Confident | 91.1 | Very high | 66 Ų | 66 | 79.4 Ų | 79.4 | 68% | 0.68 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 64.7 | 9.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | E153 F155 | E153-G157 WeakPolarHBondContact O-CA 3.33Å; E153-G157 PolarHBondContact O-N 3.37Å; F155-G157 VanDerWaalsContact C-N 3.32Å |
| 158 | R | 88.2 | Confident | 90.4 | Very high | 170 Ų | 170 | 84 Ų | 84 | 64% | 0.642 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -140.1 | 144.2 | -175.9 | -60.2 | -176.1 | -171.8 | -171.3 | 3.3 | 109.9 | S156 C160 | S156-R158 PolarHBondContact O-N 3.04Å; S156-R158 VanDerWaalsContact O-N 3.1Å; R158-C160 PolarHBondContact O-N 3.25Å; R158-C160 VanDerWaalsContact O-N 3.16Å |
| 159 | K | 88.5 | Confident | 90.2 | Very high | 70 Ų | 70 | 83 Ų | 83 | 30% | 0.304 | 40% | 0.401 | S | S | . | . | trans | -85.5 | 79.1 | 175 | -164.5 | -173.6 | -172 | -165.6 | 0 | 110.3 | D79 Q168 Y169 | D79-K159 VanDerWaalsContact CG-NZ 3.3Å; D79-K159 IonicContact OD1-NZ 3.02Å; D79-K159 PolarHBondContact OD1-NZ 3.37Å; D79-K159 IonicContact OD2-NZ 3.4Å; D79-K159 PolarHBondContact OD2-NZ 2.88Å; K159-Q168 PolarHBondContact O-N 2.95Å; K159-Y169 HydrophobicContact CD-CE2 4.3Å; K159-Y169 VanDerWaalsContact CE-CE2 3.48Å; K159-Y169 WeakPolarHBondContact CE-O 3.39Å; K159-Y169 HydrophobicContact CG-CE1 3.89Å; K159-Y169 HydrophobicContact CG-CE2 3.94Å; K159-Y169 PolarHBondContact NZ-O 2.7Å | ||
| 160 | C | 91.3 | Very high | 89.9 | Confident | 21 Ų | 21 | 84 Ų | 84 | 14% | 0.142 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -126.2 | 144.8 | 179.3 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | F152 R158 P162 K166 E167 | F152-C160 VanDerWaalsContact CE1-O 3.28Å; F152-C160 WeakPolarHBondContact CE1-O 3.45Å; R158-C160 PolarHBondContact O-N 3.25Å; R158-C160 VanDerWaalsContact O-N 3.16Å; C160-P162 WeakPolarHBondContact O-CD 3.42Å; C160-K166 WeakPolarHBondContact CA-O 3.48Å; C160-E167 HydrophobicContact CB-CG 4.3Å |
| 161 | C | 92.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | trans | -69.4 | 130.8 | -178.1 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | L138 H142 M163 C164 R165 K166 Y169 | L138-C161 HydrophobicContact CD1-CB 4.04Å; H142-C161 PolarHBondContact ND1-SG 3.45Å; C161-M163 PolarHBondContact O-N 3.38Å; C161-M163 PolarHBondContact SG-N 2.78Å; C161-M163 VanDerWaalsContact SG-N 3.45Å; C161-C164 VanDerWaalsContact SG-SG 3.67Å; C161-R165 WeakPolarHBondContact O-CA 3.45Å; C161-R165 PolarHBondContact O-N 3.43Å; C161-K166 PolarHBondContact N-O 2.95Å; C161-Y169 HydrophobicContact CB-CD1 4.35Å; C161-Y169 HydrophobicContact CB-CE1 4.48Å | ||
| 162 | P | 91.1 | Very high | 89.6 | Confident | 37 Ų | 37 | 81.1 Ų | 81.1 | 24% | 0.24 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.7 | 177.3 | -24.9 | 31.6 | 0 | 0 | 0 | 114.8 | I125 F144 L149 F152 C160 | I125-P162 HydrophobicContact CD1-CG 4Å; I125-P162 HydrophobicContact CG1-CB 4.49Å; I125-P162 HydrophobicContact CG1-CG 4.33Å; F144-P162 HydrophobicContact CD1-CG 4.39Å; F144-P162 HydrophobicContact CE1-CB 3.88Å; F144-P162 HydrophobicContact CE1-CG 3.72Å; F144-P162 HydrophobicContact CZ-CB 4.08Å; F144-P162 HydrophobicContact CZ-CG 3.84Å; L149-P162 HydrophobicContact CD1-CG 4.32Å; F152-P162 HydrophobicContact CD1-CG 3.75Å; F152-P162 HydrophobicContact CD2-CG 4.25Å; F152-P162 HydrophobicContact CE1-CB 4.45Å; F152-P162 HydrophobicContact CE1-CG 3.88Å; F152-P162 HydrophobicContact CE2-CB 4.33Å; F152-P162 HydrophobicContact CE2-CG 4.36Å; F152-P162 HydrophobicContact CG-CG 3.94Å; F152-P162 HydrophobicContact CZ-CB 4.28Å; F152-P162 HydrophobicContact CZ-CG 4.18Å; C160-P162 WeakPolarHBondContact O-CD 3.42Å |
| 163 | M | 90.8 | Very high | 89.6 | Confident | 78 Ų | 78 | 78.7 Ų | 78.7 | 38% | 0.384 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -54.9 | -177 | -72.8 | -168.8 | -86.3 | 0 | 0 | 113 | V124 H142 F144 C161 | V124-M163 HydrophobicContact CG1-CE 4.46Å; V124-M163 HydrophobicContact CG1-SD 3.87Å; V124-M163 HydrophobicContact CG2-CE 4.13Å; V124-M163 HydrophobicContact CG2-CG 3.89Å; V124-M163 HydrophobicContact CG2-SD 4.01Å; H142-M163 HydrophobicContact CB-CE 3.37Å; H142-M163 WeakPolarHBondContact CD2-CE 3.36Å; F144-M163 HydrophobicContact CE1-CE 3.87Å; F144-M163 HydrophobicContact CE1-CG 4.44Å; F144-M163 HydrophobicContact CE2-CE 4.1Å; F144-M163 HydrophobicContact CZ-CE 3.42Å; F144-M163 VanDerWaalsContact CZ-CE 3.42Å; F144-M163 HydrophobicContact CZ-CG 4.16Å; C161-M163 PolarHBondContact O-N 3.38Å; C161-M163 PolarHBondContact SG-N 2.78Å; C161-M163 VanDerWaalsContact SG-N 3.45Å |
| 164 | C | 90.5 | Very high | 89.5 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 1.5 | -175 | 65.7 | 0 | 0 | 0 | 0 | 114.7 | C140 H142 C161 K166 | C140-C164 VanDerWaalsContact SG-SG 3.66Å; H142-C164 PolarHBondContact CE1-SG 3.33Å; C161-C164 VanDerWaalsContact SG-SG 3.67Å; C164-K166 PolarHBondContact O-N 2.99Å |
| 165 | R | 90.2 | Very high | 89.3 | Confident | 209 Ų | 209 | 69.1 Ų | 69.1 | 79% | 0.789 | 34% | 0.335 | S | S | * | . | trans | 56.7 | 11.4 | -179.6 | -55.9 | -178.6 | 179.8 | -177.6 | -0.4 | 115.3 | C161 E167 | C161-R165 WeakPolarHBondContact O-CA 3.45Å; C161-R165 PolarHBondContact O-N 3.43Å; R165-E167 PolarHBondContact O-N 3.34Å | ||
| 166 | K | 87.8 | Confident | 89.2 | Confident | 109 Ų | 109 | 60.7 Ų | 60.7 | 47% | 0.474 | 30% | 0.298 | S | S | . | . | trans | -57.8 | 124.4 | 174.4 | -170.6 | 176.4 | -173.4 | 176.6 | 0 | 109.4 | C140 C160 C161 C164 | C140-K166 HydrophobicContact CB-CB 4.47Å; C140-K166 HydrophobicContact CB-CD 3.97Å; C160-K166 WeakPolarHBondContact CA-O 3.48Å; C161-K166 PolarHBondContact N-O 2.95Å; C164-K166 PolarHBondContact O-N 2.99Å | ||
| 167 | E | 85.1 | Confident | 89.1 | Confident | 116 Ų | 116 | 58.8 Ų | 58.8 | 54% | 0.542 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -84.8 | 158.9 | 177 | -60.2 | -171.3 | 162.9 | 0 | 0 | 110.9 | C160 R165 Y169 | C160-E167 HydrophobicContact CB-CG 4.3Å; R165-E167 PolarHBondContact O-N 3.34Å; E167-Y169 VanDerWaalsContact C-N 3.29Å; E167-Y169 PolarHBondContact O-N 3.09Å |
| 168 | Q | 80.2 | Confident | 89.3 | Confident | 163 Ų | 163 | 55.9 Ų | 55.9 | 76% | 0.762 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 56 | 39.3 | 172.8 | -54.6 | -178.1 | -0.6 | 0 | 0 | 113.8 | K159 | K159-Q168 PolarHBondContact O-N 2.95Š|
| 169 | Y | 88.4 | Confident | 89.4 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | trans | -70.9 | 157.6 | 173.6 | 56.6 | -99.9 | 0 | 0 | 0 | 111.9 | L138 S139 L149 E153 K159 C161 E167 T171 | L138-Y169 HydrophobicContact CB-CD2 4.38Å; L138-Y169 HydrophobicContact CB-CG 4.47Å; L138-Y169 HydrophobicContact CD1-CD1 4.16Å; L138-Y169 HydrophobicContact CD1-CD2 4.04Å; L138-Y169 HydrophobicContact CD1-CE1 4.15Å; L138-Y169 HydrophobicContact CD1-CE2 4.05Å; L138-Y169 HydrophobicContact CD1-CG 4.09Å; L138-Y169 HydrophobicContact CD2-CD2 3.51Å; L138-Y169 HydrophobicContact CD2-CE2 3.5Å; L138-Y169 HydrophobicContact CD2-CG 4.32Å; L138-Y169 HydrophobicContact CG-CD2 4.19Å; L138-Y169 HydrophobicContact CG-CE2 4.37Å; S139-Y169 WeakPolarHBondContact OG-CA 3.34Å; S139-Y169 VanDerWaalsContact OG-CB 3.28Å; S139-Y169 WeakPolarHBondContact OG-CB 3.5Å; L149-Y169 HydrophobicContact CD2-CE2 4.16Å; E153-Y169 PolarHBondContact OE1-OH 2.98Å; K159-Y169 HydrophobicContact CD-CE2 4.3Å; K159-Y169 VanDerWaalsContact CE-CE2 3.48Å; K159-Y169 WeakPolarHBondContact CE-O 3.39Å; K159-Y169 HydrophobicContact CG-CE1 3.89Å; K159-Y169 HydrophobicContact CG-CE2 3.94Å; K159-Y169 PolarHBondContact NZ-O 2.7Å; C161-Y169 HydrophobicContact CB-CD1 4.35Å; C161-Y169 HydrophobicContact CB-CE1 4.48Å; E167-Y169 VanDerWaalsContact C-N 3.29Å; E167-Y169 PolarHBondContact O-N 3.09Å; Y169-T171 HydrophobicContact CD2-CG2 3.64Å; Y169-T171 HydrophobicContact CE2-CG2 3.39Å | ||
| 170 | E | 88.8 | Confident | 89.5 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | trans | -92.9 | 151.7 | 166.5 | -60.8 | -168.3 | 158.1 | 0 | 0 | 110.4 | D79 K100 L101 W106 L138 S139 | D79-E170 VanDerWaalsContact OD2-CA 3.25Å; D79-E170 WeakPolarHBondContact OD2-CA 3.44Å; K100-E170 WeakPolarHBondContact CA-OE1 3.46Å; K100-E170 WeakPolarHBondContact CB-OE1 3.35Å; K100-E170 WeakPolarHBondContact CD-OE1 3.49Å; K100-E170 WeakPolarHBondContact CG-OE1 3.38Å; L101-E170 PolarHBondContact N-OE1 3Å; L101-E170 PolarHBondContact N-OE2 2.94Å; W106-E170 HydrophobicContact CH2-CB 4.3Å; W106-E170 HydrophobicContact CZ2-CB 3.58Å; W106-E170 PolarHBondContact NE1-OE2 3.46Å; L138-E170 CarbonylContact C-O 3.52Å; L138-E170 WeakPolarHBondContact CA-O 3.35Å; S139-E170 PolarHBondContact N-O 2.94Å; S139-E170 PolarHBondContact OG-N 2.92Å | ||
| 171 | T | 90.8 | Very high | 89.6 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.8 | -175.2 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | L78 D79 L138 L149 Y169 | L78-T171 WeakPolarHBondContact CB-OG1 3.37Å; L78-T171 PolarHBondContact N-O 3.28Å; D79-T171 VanDerWaalsContact CG-OG1 3.3Å; D79-T171 PolarHBondContact OD1-OG1 3.38Å; D79-T171 PolarHBondContact OD2-N 2.97Å; D79-T171 PolarHBondContact OD2-OG1 2.77Å; L138-T171 HydrophobicContact CD2-CG2 3.69Å; L149-T171 HydrophobicContact CD2-CG2 4.13Å; Y169-T171 HydrophobicContact CD2-CG2 3.64Å; Y169-T171 HydrophobicContact CE2-CG2 3.39Å |
| 172 | R | 90.3 | Very high | 89.6 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.5 | 176 | 179.9 | 172.7 | 173.9 | 150.3 | -2.5 | 109.9 | E75 W106 V136 L137 | E75-R172 IonicContact OE2-CZ 3.4Å; E75-R172 VanDerWaalsContact OE2-CZ 3.28Å; E75-R172 IonicContact OE2-NE 2.85Å; E75-R172 PolarHBondContact OE2-NE 3.47Å; E75-R172 VanDerWaalsContact OE2-NE 3.09Å; E75-R172 IonicContact OE2-NH2 3.09Å; E75-R172 PolarHBondContact OE2-NH2 2.94Å; W106-R172 VanDerWaalsContact CB-NH1 3.31Å; W106-R172 HydrophobicContact CD2-CB 4.37Å; W106-R172 HydrophobicContact CE3-CB 4Å; W106-R172 HydrophobicContact CH2-CB 3.55Å; W106-R172 HydrophobicContact CZ2-CB 3.94Å; W106-R172 HydrophobicContact CZ3-CB 3.58Å; V136-R172 CarbonylContact C-O 3.6Å; V136-R172 VanDerWaalsContact CA-O 3.28Å; V136-R172 WeakPolarHBondContact CA-O 3.33Å; L137-R172 PolarHBondContact N-O 2.59Å; L137-R172 PolarHBondContact O-N 3.44Å |
| 173 | V | 91.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.7 | 173 | -177.8 | 0 | 0 | 0 | 0 | 109 | E75 Y76 L78 Q135 V136 | E75-V173 WeakPolarHBondContact CB-O 3.36Å; E75-V173 WeakPolarHBondContact CG-O 3.5Å; Y76-V173 HydrophobicContact CD1-CB 4.36Å; Y76-V173 HydrophobicContact CD2-CG2 4.47Å; Y76-V173 HydrophobicContact CE1-CB 4.08Å; Y76-V173 HydrophobicContact CE1-CG1 4.3Å; Y76-V173 HydrophobicContact CE1-CG2 4.08Å; Y76-V173 HydrophobicContact CE2-CG2 4.01Å; Y76-V173 PolarHBondContact O-N 3.13Å; L78-V173 HydrophobicContact CD1-CG2 3.67Å; L78-V173 HydrophobicContact CD2-CG2 3.65Å; L78-V173 HydrophobicContact CG-CG2 3.64Å; Q135-V173 WeakPolarHBondContact O-CA 3.25Å; V136-V173 HydrophobicContact CG1-CG2 4.4Å |
| 174 | I | 91.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 159.3 | 175.8 | 62.5 | 161.6 | 0 | 0 | 0 | 110.4 | Q135 L137 V143 | Q135-I174 HydrophobicContact CB-CD1 4.39Å; Q135-I174 HydrophobicContact CB-CG1 3.73Å; Q135-I174 WeakPolarHBondContact CB-O 3.35Å; Q135-I174 PolarHBondContact O-N 2.73Å; L137-I174 HydrophobicContact CB-CD1 4.12Å; L137-I174 HydrophobicContact CB-CG1 4.26Å; L137-I174 HydrophobicContact CB-CG2 3.66Å; L137-I174 HydrophobicContact CD2-CG2 4.18Å; V143-I174 HydrophobicContact CG1-CD1 3.88Å; V143-I174 HydrophobicContact CG2-CD1 3.93Å |
| 175 | H | 89.2 | Confident | 90.1 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 19% | 0.194 | 27% | 0.271 | C | S | . | . | trans | -124.7 | 12.1 | -177.7 | -66.2 | -92.2 | 0 | 0 | 0 | 113 | E73 G177 A178 R179 | E73-H175 IonicContact OE2-CE1 3.73Å; E73-H175 IonicContact OE2-CG 3.97Å; E73-H175 VanDerWaalsContact OE2-CG 3.3Å; E73-H175 IonicContact OE2-ND1 3.28Å; E73-H175 PolarHBondContact OE2-ND1 2.85Å; H175-G177 PolarHBondContact O-N 3.38Å; H175-A178 WeakPolarHBondContact O-CB 3.11Å; H175-A178 PolarHBondContact O-N 2.91Å; H175-A178 VanDerWaalsContact O-N 3.13Å; H175-R179 PolarHBondContact O-N 3.3Å | ||
| 176 | D | 89.5 | Confident | 90.4 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.043 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | -172.8 | -69.8 | -44.9 | 0 | 0 | 0 | 112.7 | K110 A178 R179 L180 | K110-D176 WeakPolarHBondContact CE-OD2 3.4Å; K110-D176 IonicContact NZ-OD1 2.78Å; K110-D176 IonicContact NZ-OD2 3.51Å; D176-A178 VanDerWaalsContact C-N 3.28Å; D176-A178 PolarHBondContact O-N 3.05Å; D176-R179 WeakPolarHBondContact O-CB 3.1Å; D176-R179 PolarHBondContact O-N 3.22Å; D176-R179 IonicContact OD1-CZ 3.3Å; D176-R179 IonicContact OD1-NH1 2.74Å; D176-R179 IonicContact OD1-NH2 2.83Å; D176-R179 PolarHBondContact OD1-NH2 3.23Å; D176-L180 WeakPolarHBondContact O-CG 3.48Å; D176-L180 PolarHBondContact O-N 2.9Å |
| 177 | G | 89.1 | Confident | 90.8 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -29.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H175 F181 | H175-G177 PolarHBondContact O-N 3.38Å; G177-F181 WeakPolarHBondContact O-CB 3.44Å; G177-F181 PolarHBondContact O-N 3.37Å |
| 178 | A | 90.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.4 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R131 Q135 H175 D176 F181 K182 | R131-A178 WeakPolarHBondContact O-CA 3.38Å; R131-A178 WeakPolarHBondContact O-CB 3.33Å; R131-A178 PolarHBondContact O-N 3.25Å; Q135-A178 VanDerWaalsContact NE2-N 3.12Å; H175-A178 WeakPolarHBondContact O-CB 3.11Å; H175-A178 PolarHBondContact O-N 2.91Å; H175-A178 VanDerWaalsContact O-N 3.13Å; D176-A178 VanDerWaalsContact C-N 3.28Å; D176-A178 PolarHBondContact O-N 3.05Å; A178-F181 PolarHBondContact O-N 3.45Å; A178-K182 WeakPolarHBondContact O-CB 3.49Å; A178-K182 VanDerWaalsContact O-CG 3.23Å; A178-K182 WeakPolarHBondContact O-CG 3.23Å; A178-K182 PolarHBondContact O-N 3.32Å |
| 179 | R | 90.4 | Very high | 92.2 | Very high | 125 Ų | 125 | 55.3 Ų | 55.3 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.7 | -50.7 | 171.2 | -176.4 | 177.4 | 63.3 | -149.8 | -12.5 | 111.2 | H175 D176 F181 K182 E183 | H175-R179 PolarHBondContact O-N 3.3Å; D176-R179 WeakPolarHBondContact O-CB 3.1Å; D176-R179 PolarHBondContact O-N 3.22Å; D176-R179 IonicContact OD1-CZ 3.3Å; D176-R179 IonicContact OD1-NH1 2.74Å; D176-R179 IonicContact OD1-NH2 2.83Å; D176-R179 PolarHBondContact OD1-NH2 3.23Å; R179-F181 VanDerWaalsContact C-N 3.3Å; R179-F181 PolarHBondContact O-N 3.45Å; R179-K182 WeakPolarHBondContact O-CB 3.49Å; R179-K182 PolarHBondContact O-N 2.98Å; R179-K182 VanDerWaalsContact O-N 3.16Å; R179-E183 WeakPolarHBondContact CG-OE1 3.43Å; R179-E183 WeakPolarHBondContact O-CG 3.35Å; R179-E183 PolarHBondContact O-N 3.34Å |
| 180 | L | 90.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 59.5 Ų | 59.5 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 177.8 | -70.2 | 171.2 | 0 | 0 | 0 | 112.3 | K120 D176 E183 R184 | K120-L180 HydrophobicContact CG-CD1 3.71Å; D176-L180 WeakPolarHBondContact O-CG 3.48Å; D176-L180 PolarHBondContact O-N 2.9Å; L180-E183 PolarHBondContact O-N 3.16Å; L180-R184 WeakPolarHBondContact O-CG 3.49Å; L180-R184 PolarHBondContact O-N 3.16Å |
| 181 | F | 92.5 | Very high | 93 | Very high | 51 Ų | 51 | 61 Ų | 61 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 176.1 | -178.2 | -104.3 | 0 | 0 | 0 | 112.2 | R131 L132 G177 A178 R179 E183 R184 C185 | R131-F181 HydrophobicContact CB-CD1 4.22Å; R131-F181 HydrophobicContact CB-CD2 4.06Å; R131-F181 HydrophobicContact CB-CE1 4.32Å; R131-F181 HydrophobicContact CB-CE2 4.17Å; R131-F181 HydrophobicContact CB-CG 4.09Å; R131-F181 HydrophobicContact CB-CZ 4.29Å; R131-F181 HydrophobicContact CG-CD2 3.81Å; R131-F181 HydrophobicContact CG-CE2 3.74Å; R131-F181 HydrophobicContact CG-CG 4.35Å; R131-F181 HydrophobicContact CG-CZ 4.23Å; L132-F181 HydrophobicContact CD1-CE1 4.45Å; L132-F181 HydrophobicContact CD2-CD1 3.95Å; L132-F181 HydrophobicContact CD2-CE1 4.41Å; L132-F181 HydrophobicContact CG-CD1 3.95Å; L132-F181 HydrophobicContact CG-CE1 4.02Å; G177-F181 WeakPolarHBondContact O-CB 3.44Å; G177-F181 PolarHBondContact O-N 3.37Å; A178-F181 PolarHBondContact O-N 3.45Å; R179-F181 VanDerWaalsContact C-N 3.3Å; R179-F181 PolarHBondContact O-N 3.45Å; F181-E183 VanDerWaalsContact C-N 3.32Å; F181-E183 PolarHBondContact O-N 2.91Å; F181-R184 PolarHBondContact O-N 3.48Å; F181-C185 VanDerWaalsContact CZ-SG 3.59Å; F181-C185 WeakPolarHBondContact O-CB 3.41Å; F181-C185 PolarHBondContact O-N 3.17Å; F181-C185 PolarHBondContact O-SG 2.93Å |
| 182 | K | 92.8 | Very high | 93.4 | Very high | 99 Ų | 99 | 64.6 Ų | 64.6 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 174.7 | -73.1 | 169.3 | -175.6 | 174.5 | 0 | 110.8 | E73 L132 A178 R179 C185 A186 | E73-K182 IonicContact OE1-NZ 2.7Å; E73-K182 PolarHBondContact OE1-NZ 3.4Å; E73-K182 IonicContact OE2-NZ 2.94Å; L132-K182 HydrophobicContact CD2-CG 4.28Å; A178-K182 WeakPolarHBondContact O-CB 3.49Å; A178-K182 VanDerWaalsContact O-CG 3.23Å; A178-K182 WeakPolarHBondContact O-CG 3.23Å; A178-K182 PolarHBondContact O-N 3.32Å; R179-K182 WeakPolarHBondContact O-CB 3.49Å; R179-K182 PolarHBondContact O-N 2.98Å; R179-K182 VanDerWaalsContact O-N 3.16Å; K182-C185 PolarHBondContact O-N 2.79Å; K182-A186 WeakPolarHBondContact O-CB 3.21Å; K182-A186 PolarHBondContact O-N 3.32Å |
| 183 | E | 93.1 | Very high | 93.7 | Very high | 94 Ų | 94 | 70.5 Ų | 70.5 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.2 | -72.1 | 168 | -171 | 0 | 0 | 112.2 | R179 L180 F181 C185 A186 I187 | R179-E183 WeakPolarHBondContact CG-OE1 3.43Å; R179-E183 WeakPolarHBondContact O-CG 3.35Å; R179-E183 PolarHBondContact O-N 3.34Å; L180-E183 PolarHBondContact O-N 3.16Å; F181-E183 VanDerWaalsContact C-N 3.32Å; F181-E183 PolarHBondContact O-N 2.91Å; E183-C185 VanDerWaalsContact C-N 3.31Å; E183-C185 PolarHBondContact O-N 3.32Å; E183-A186 WeakPolarHBondContact O-CB 3.44Å; E183-A186 PolarHBondContact O-N 2.83Å; E183-I187 WeakPolarHBondContact O-CG1 3.39Å; E183-I187 PolarHBondContact O-N 2.96Å |
| 184 | R | 93.8 | Very high | 94 | Very high | 112 Ų | 112 | 77.8 Ų | 77.8 | 42% | 0.423 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 175.9 | -73.7 | 177.5 | -179.2 | -177.1 | 2.3 | 111.8 | E129 L180 F181 I187 R188 | E129-R184 IonicContact OE1-NH1 3.4Å; E129-R184 PolarHBondContact OE1-NH1 3.48Å; L180-R184 WeakPolarHBondContact O-CG 3.49Å; L180-R184 PolarHBondContact O-N 3.16Å; F181-R184 PolarHBondContact O-N 3.48Å; R184-I187 PolarHBondContact O-N 3.08Å; R184-R188 WeakPolarHBondContact O-CG 3.36Å; R184-R188 PolarHBondContact O-N 3.22Å; R184-R188 VanDerWaalsContact O-N 3.08Å |
| 185 | C | 95 | Very high | 94.2 | Very high | 38 Ų | 38 | 78.7 Ų | 78.7 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 175.8 | -73.6 | 0 | 0 | 0 | 0 | 111.7 | F181 K182 E183 I187 R188 I189 | F181-C185 VanDerWaalsContact CZ-SG 3.59Å; F181-C185 WeakPolarHBondContact O-CB 3.41Å; F181-C185 PolarHBondContact O-N 3.17Å; F181-C185 PolarHBondContact O-SG 2.93Å; K182-C185 PolarHBondContact O-N 2.79Å; E183-C185 VanDerWaalsContact C-N 3.31Å; E183-C185 PolarHBondContact O-N 3.32Å; C185-I187 VanDerWaalsContact C-N 3.35Å; C185-I187 PolarHBondContact O-N 3.41Å; C185-R188 PolarHBondContact O-N 3.42Å; C185-I189 VanDerWaalsContact O-CG1 3.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.32Å; C185-I189 PolarHBondContact O-N 3.17Å |
| 186 | A | 96.7 | Very high | 94.6 | Very high | 41 Ų | 41 | 81.9 Ų | 81.9 | 34% | 0.339 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K182 E183 R188 I189 Q190 | K182-A186 WeakPolarHBondContact O-CB 3.21Å; K182-A186 PolarHBondContact O-N 3.32Å; E183-A186 WeakPolarHBondContact O-CB 3.44Å; E183-A186 PolarHBondContact O-N 2.83Å; A186-R188 VanDerWaalsContact C-N 3.34Å; A186-R188 PolarHBondContact O-N 3.44Å; A186-I189 PolarHBondContact O-N 2.89Å; A186-Q190 WeakPolarHBondContact O-CB 3.45Å; A186-Q190 WeakPolarHBondContact O-CG 3.43Å; A186-Q190 PolarHBondContact O-N 3.44Å |
| 187 | I | 96.7 | Very high | 94.9 | Very high | 108 Ų | 108 | 84.9 Ų | 84.9 | 55% | 0.554 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.1 | -45.1 | 176.7 | -67 | 165.6 | 0 | 0 | 0 | 111 | E183 R184 C185 Q190 A191 | E183-I187 WeakPolarHBondContact O-CG1 3.39Å; E183-I187 PolarHBondContact O-N 2.96Å; R184-I187 PolarHBondContact O-N 3.08Å; C185-I187 VanDerWaalsContact C-N 3.35Å; C185-I187 PolarHBondContact O-N 3.41Å; I187-Q190 PolarHBondContact O-N 3.17Å; I187-A191 VanDerWaalsContact O-CB 3.28Å; I187-A191 WeakPolarHBondContact O-CB 3.07Å; I187-A191 PolarHBondContact O-N 3.18Å |
| 188 | R | 97.3 | Very high | 95.3 | Very high | 193 Ų | 193 | 89 Ų | 89 | 73% | 0.728 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 178.7 | -72.8 | 176.3 | 67.5 | 179.7 | 2.1 | 112.3 | R184 C185 A186 A191 C192 | R184-R188 WeakPolarHBondContact O-CG 3.36Å; R184-R188 PolarHBondContact O-N 3.22Å; R184-R188 VanDerWaalsContact O-N 3.08Å; C185-R188 PolarHBondContact O-N 3.42Å; A186-R188 VanDerWaalsContact C-N 3.34Å; A186-R188 PolarHBondContact O-N 3.44Å; R188-A191 PolarHBondContact O-N 2.95Å; R188-C192 WeakPolarHBondContact O-CB 3.31Å; R188-C192 PolarHBondContact O-N 2.93Å |
| 189 | I | 97.4 | Very high | 95.4 | Very high | 120 Ų | 120 | 96 Ų | 96 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.1 | -48.5 | 177.8 | -68 | 166 | 0 | 0 | 0 | 109.8 | C185 A186 A191 C192 W193 | C185-I189 VanDerWaalsContact O-CG1 3.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.32Å; C185-I189 PolarHBondContact O-N 3.17Å; A186-I189 PolarHBondContact O-N 2.89Å; I189-A191 PolarHBondContact O-N 2.89Å; I189-C192 PolarHBondContact O-N 3.27Å; I189-W193 WeakPolarHBondContact O-CB 3.47Å; I189-W193 PolarHBondContact O-N 3.49Å |
| 190 | Q | 97.3 | Very high | 95.6 | Very high | 91 Ų | 91 | 96.7 Ų | 96.7 | 43% | 0.425 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 179 | -70.5 | 174.8 | -0.3 | 0 | 0 | 112.2 | A186 I187 W193 R194 | A186-Q190 WeakPolarHBondContact O-CB 3.45Å; A186-Q190 WeakPolarHBondContact O-CG 3.43Å; A186-Q190 PolarHBondContact O-N 3.44Å; I187-Q190 PolarHBondContact O-N 3.17Å; Q190-W193 PolarHBondContact O-N 2.81Å; Q190-R194 WeakPolarHBondContact O-CB 3.28Å; Q190-R194 VanDerWaalsContact O-CG 3.23Å; Q190-R194 WeakPolarHBondContact O-CG 3.3Å; Q190-R194 PolarHBondContact O-N 3Å |
| 191 | A | 97.9 | Very high | 95.8 | Very high | 56 Ų | 56 | 102.6 Ų | 102.6 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | I187 R188 I189 G195 | I187-A191 VanDerWaalsContact O-CB 3.28Å; I187-A191 WeakPolarHBondContact O-CB 3.07Å; I187-A191 PolarHBondContact O-N 3.18Å; R188-A191 PolarHBondContact O-N 2.95Å; I189-A191 PolarHBondContact O-N 2.89Å; A191-G195 PolarHBondContact O-N 3.34Å |
| 192 | C | 97.5 | Very high | 95.8 | Very high | 83 Ų | 83 | 106.6 Ų | 106.6 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.1 | -46.2 | 176 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | R188 I189 G195 Y196 | R188-C192 WeakPolarHBondContact O-CB 3.31Å; R188-C192 PolarHBondContact O-N 2.93Å; I189-C192 PolarHBondContact O-N 3.27Å; C192-G195 PolarHBondContact O-N 3.38Å; C192-Y196 WeakPolarHBondContact O-CB 3.36Å; C192-Y196 PolarHBondContact O-N 3.25Å |
| 193 | W | 97.5 | Very high | 95.7 | Very high | 168 Ų | 168 | 103.5 Ų | 103.5 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -49.8 | 177.9 | -179 | -98.1 | 0 | 0 | 0 | 112.4 | I189 Q190 G195 Y196 V197 | I189-W193 WeakPolarHBondContact O-CB 3.47Å; I189-W193 PolarHBondContact O-N 3.49Å; Q190-W193 PolarHBondContact O-N 2.81Å; W193-G195 VanDerWaalsContact C-N 3.26Å; W193-G195 PolarHBondContact O-N 3.36Å; W193-Y196 HydrophobicContact CE3-CD1 4.43Å; W193-Y196 HydrophobicContact CZ3-CD1 4.39Å; W193-Y196 WeakPolarHBondContact O-CB 3.48Å; W193-Y196 PolarHBondContact O-N 3.13Å; W193-V197 HydrophobicContact CZ2-CG2 4.41Å; W193-V197 WeakPolarHBondContact O-CG2 3.39Å; W193-V197 PolarHBondContact O-N 2.78Å |
| 194 | R | 97.3 | Very high | 95.6 | Very high | 154 Ų | 154 | 104.9 Ų | 104.9 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -55.1 | -44.8 | 175.4 | -73.3 | 171.4 | -179 | 129.2 | 3.1 | 110.7 | Q190 V197 V198 | Q190-R194 WeakPolarHBondContact O-CB 3.28Å; Q190-R194 VanDerWaalsContact O-CG 3.23Å; Q190-R194 WeakPolarHBondContact O-CG 3.3Å; Q190-R194 PolarHBondContact O-N 3Å; R194-V197 PolarHBondContact O-N 2.88Å; R194-V198 WeakPolarHBondContact O-CG2 3.38Å; R194-V198 PolarHBondContact O-N 3.25Å; R194-V198 VanDerWaalsContact O-N 3.15Å |
| 195 | G | 96.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 102.7 Ų | 102.7 | 22% | 0.216 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A191 C192 W193 R199 | A191-G195 PolarHBondContact O-N 3.34Å; C192-G195 PolarHBondContact O-N 3.38Å; W193-G195 VanDerWaalsContact C-N 3.26Å; W193-G195 PolarHBondContact O-N 3.36Å; G195-R199 WeakPolarHBondContact O-CB 3.37Å; G195-R199 WeakPolarHBondContact O-CG 3.23Å; G195-R199 PolarHBondContact O-N 3.05Å; G195-R199 PolarHBondContact O-NH1 3.13Å |
| 196 | Y | 96.5 | Very high | 95.1 | Very high | 109 Ų | 109 | 108 Ų | 108 | 43% | 0.427 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 176.6 | 169.8 | -102.9 | 0 | 0 | 0 | 112 | C192 W193 V198 R199 K200 | C192-Y196 WeakPolarHBondContact O-CB 3.36Å; C192-Y196 PolarHBondContact O-N 3.25Å; W193-Y196 HydrophobicContact CE3-CD1 4.43Å; W193-Y196 HydrophobicContact CZ3-CD1 4.39Å; W193-Y196 WeakPolarHBondContact O-CB 3.48Å; W193-Y196 PolarHBondContact O-N 3.13Å; Y196-V198 VanDerWaalsContact C-N 3.35Å; Y196-V198 PolarHBondContact O-N 3.06Å; Y196-R199 PolarHBondContact O-N 3.27Å; Y196-K200 HydrophobicContact CE1-CD 4.35Å; Y196-K200 WeakPolarHBondContact O-CB 3.28Å; Y196-K200 PolarHBondContact O-N 3.29Å |
| 197 | V | 96.6 | Very high | 94.6 | Very high | 70 Ų | 70 | 113 Ų | 113 | 42% | 0.424 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.4 | -48.7 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | W193 R194 K200 W201 | W193-V197 HydrophobicContact CZ2-CG2 4.41Å; W193-V197 WeakPolarHBondContact O-CG2 3.39Å; W193-V197 PolarHBondContact O-N 2.78Å; R194-V197 PolarHBondContact O-N 2.88Å; V197-K200 PolarHBondContact O-N 3.03Å; V197-W201 WeakPolarHBondContact O-CB 3.47Å; V197-W201 PolarHBondContact O-N 2.98Å |
| 198 | V | 96 | Very high | 94.2 | Very high | 90 Ų | 90 | 111.7 Ų | 111.7 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | R194 Y196 K200 W201 Y202 | R194-V198 WeakPolarHBondContact O-CG2 3.38Å; R194-V198 PolarHBondContact O-N 3.25Å; R194-V198 VanDerWaalsContact O-N 3.15Å; Y196-V198 VanDerWaalsContact C-N 3.35Å; Y196-V198 PolarHBondContact O-N 3.06Å; V198-K200 PolarHBondContact O-N 3.06Å; V198-W201 PolarHBondContact O-N 3.44Å; V198-Y202 WeakPolarHBondContact O-CB 3.45Å; V198-Y202 PolarHBondContact O-N 2.96Å |
| 199 | R | 94.7 | Very high | 93.7 | Very high | 152 Ų | 152 | 105.7 Ų | 105.7 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 178.1 | -75.9 | -172.5 | -63.3 | -87.3 | 1.9 | 112.6 | G195 Y196 G203 | G195-R199 WeakPolarHBondContact O-CB 3.37Å; G195-R199 WeakPolarHBondContact O-CG 3.23Å; G195-R199 PolarHBondContact O-N 3.05Å; G195-R199 PolarHBondContact O-NH1 3.13Å; Y196-R199 PolarHBondContact O-N 3.27Å; R199-G203 PolarHBondContact O-N 3.34Å |
| 200 | K | 94.4 | Very high | 93.4 | Very high | 141 Ų | 141 | 102.9 Ų | 102.9 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.6 | -46.4 | 176.6 | -174 | 172.4 | -177.4 | 176.4 | 0 | 111 | Y196 V197 V198 H204 | Y196-K200 HydrophobicContact CE1-CD 4.35Å; Y196-K200 WeakPolarHBondContact O-CB 3.28Å; Y196-K200 PolarHBondContact O-N 3.29Å; V197-K200 PolarHBondContact O-N 3.03Å; V198-K200 PolarHBondContact O-N 3.06Å; K200-H204 PolarHBondContact O-N 3.27Å |
| 201 | W | 94.4 | Very high | 93.1 | Very high | 164 Ų | 164 | 100.2 Ų | 100.2 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -49.1 | 175.5 | 175.4 | 82.4 | 0 | 0 | 0 | 112 | V197 V198 G203 H204 M205 | V197-W201 WeakPolarHBondContact O-CB 3.47Å; V197-W201 PolarHBondContact O-N 2.98Å; V198-W201 PolarHBondContact O-N 3.44Å; W201-G203 VanDerWaalsContact C-N 3.33Å; W201-G203 PolarHBondContact O-N 3.47Å; W201-H204 PolarHBondContact O-N 2.93Å; W201-H204 VanDerWaalsContact O-N 3.16Å; W201-M205 HydrophobicContact CH2-CG 4.44Å; W201-M205 HydrophobicContact CZ2-CG 4.44Å; W201-M205 WeakPolarHBondContact O-CB 3.19Å; W201-M205 PolarHBondContact O-N 2.89Å |
| 202 | Y | 92.3 | Very high | 92.6 | Very high | 135 Ų | 135 | 107.6 Ų | 107.6 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 179.7 | -175.5 | -101.3 | 0 | 0 | 0 | 112.2 | V198 H204 M205 R206 | V198-Y202 WeakPolarHBondContact O-CB 3.45Å; V198-Y202 PolarHBondContact O-N 2.96Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 3.33Å; Y202-M205 PolarHBondContact O-N 3.45Å; Y202-R206 VanDerWaalsContact O-CB 3.32Å; Y202-R206 WeakPolarHBondContact O-CB 3.17Å; Y202-R206 PolarHBondContact O-N 2.74Å |
| 203 | G | 90.8 | Very high | 92.4 | Very high | 33 Ų | 33 | 107.7 Ų | 107.7 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R199 W201 | R199-G203 PolarHBondContact O-N 3.34Å; W201-G203 VanDerWaalsContact C-N 3.33Å; W201-G203 PolarHBondContact O-N 3.47Å |
| 204 | H | 90.8 | Very high | 92.2 | Very high | 124 Ų | 124 | 108.4 Ų | 108.4 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.5 | -47.1 | 173.1 | -177.6 | 73.8 | 0 | 0 | 0 | 111.7 | K200 W201 Y202 R206 K207 T208 | K200-H204 PolarHBondContact O-N 3.27Å; W201-H204 PolarHBondContact O-N 2.93Å; W201-H204 VanDerWaalsContact O-N 3.16Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 3.33Å; H204-R206 VanDerWaalsContact C-N 3.29Å; H204-R206 PolarHBondContact O-N 2.78Å; H204-K207 WeakPolarHBondContact O-CB 3.3Å; H204-K207 PolarHBondContact O-N 3.4Å; H204-T208 PolarHBondContact O-N 3.4Å; H204-T208 PolarHBondContact O-OG1 2.7Å |
| 205 | M | 90.1 | Very high | 92 | Very high | 66 Ų | 66 | 108.1 Ų | 108.1 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.9 | -39.9 | 178.5 | -173.3 | -85.6 | -163.6 | 0 | 0 | 112.2 | W201 Y202 K207 T208 V209 | W201-M205 HydrophobicContact CH2-CG 4.44Å; W201-M205 HydrophobicContact CZ2-CG 4.44Å; W201-M205 WeakPolarHBondContact O-CB 3.19Å; W201-M205 PolarHBondContact O-N 2.89Å; Y202-M205 PolarHBondContact O-N 3.45Å; M205-K207 PolarHBondContact O-N 2.91Å; M205-T208 PolarHBondContact O-N 2.82Å; M205-T208 PolarHBondContact O-OG1 3.03Å; M205-V209 HydrophobicContact CE-CB 4.1Å; M205-V209 HydrophobicContact CE-CG1 4.07Å; M205-V209 HydrophobicContact CE-CG2 4.32Å; M205-V209 HydrophobicContact CG-CB 4.38Å; M205-V209 HydrophobicContact CG-CG2 4.05Å; M205-V209 WeakPolarHBondContact O-CB 3.37Å; M205-V209 PolarHBondContact O-N 3.33Å; M205-V209 HydrophobicContact SD-CB 4.01Å; M205-V209 HydrophobicContact SD-CG2 4.32Å |
| 206 | R | 88.1 | Confident | 91.6 | Very high | 150 Ų | 150 | 110.8 Ų | 110.8 | 57% | 0.566 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.8 | -22.8 | 176.5 | -173.2 | 176.5 | 172.8 | -153.1 | -3.3 | 113.6 | Y202 H204 F220 | Y202-R206 VanDerWaalsContact O-CB 3.32Å; Y202-R206 WeakPolarHBondContact O-CB 3.17Å; Y202-R206 PolarHBondContact O-N 2.74Å; H204-R206 VanDerWaalsContact C-N 3.29Å; H204-R206 PolarHBondContact O-N 2.78Å; R206-F220 WeakPolarHBondContact O-CD2 3.38Å; R206-F220 VanDerWaalsContact O-CE2 3.28Å; R206-F220 WeakPolarHBondContact O-CE2 3.32Å |
| 207 | K | 86.4 | Confident | 91.4 | Very high | 145 Ų | 145 | 112 Ų | 112 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -84.4 | -25.7 | 175.9 | -69.2 | -178.4 | 179.1 | -168.3 | 0 | 112.9 | H204 M205 F220 K224 | H204-K207 WeakPolarHBondContact O-CB 3.3Å; H204-K207 PolarHBondContact O-N 3.4Å; M205-K207 PolarHBondContact O-N 2.91Å; K207-F220 WeakPolarHBondContact O-CE2 3.46Å; K207-K224 WeakPolarHBondContact O-CE 3.35Å |
| 208 | T | 87.4 | Confident | 91.2 | Very high | 80 Ų | 80 | 117.8 Ų | 117.8 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -104.9 | -34.4 | -173.1 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | H204 M205 | H204-T208 PolarHBondContact O-N 3.4Å; H204-T208 PolarHBondContact O-OG1 2.7Å; M205-T208 PolarHBondContact O-N 2.82Å; M205-T208 PolarHBondContact O-OG1 3.03Å |
| 209 | V | 88.8 | Confident | 90.9 | Very high | 68 Ų | 68 | 119.9 Ų | 119.9 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -104.5 | 123.4 | -175.1 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | M205 | M205-V209 HydrophobicContact CE-CB 4.1Å; M205-V209 HydrophobicContact CE-CG1 4.07Å; M205-V209 HydrophobicContact CE-CG2 4.32Å; M205-V209 HydrophobicContact CG-CB 4.38Å; M205-V209 HydrophobicContact CG-CG2 4.05Å; M205-V209 WeakPolarHBondContact O-CB 3.37Å; M205-V209 PolarHBondContact O-N 3.33Å; M205-V209 HydrophobicContact SD-CB 4.01Å; M205-V209 HydrophobicContact SD-CG2 4.32Å |
| 210 | P | 89.2 | Confident | 90.9 | Very high | 60 Ų | 60 | 114 Ų | 114 | 39% | 0.39 | 52% | 0.52 | S | S | . | . | trans | -63.6 | 131.5 | 175.6 | -22.6 | 33.2 | 0 | 0 | 0 | 112.2 | F220 F221 | P210-F220 HydrophobicContact CB-CD1 4.31Å; P210-F220 HydrophobicContact CB-CE1 4.24Å; P210-F220 HydrophobicContact CG-CD1 4.49Å; P210-F220 HydrophobicContact CG-CE1 3.94Å; P210-F220 HydrophobicContact CG-CZ 4.34Å; P210-F221 HydrophobicContact CB-CE2 4.44Å; P210-F221 HydrophobicContact CB-CZ 4.25Å; P210-F221 HydrophobicContact CG-CZ 4.22Å | ||
| 211 | P | 91.7 | Very high | 90.8 | Very high | 35 Ų | 35 | 111.8 Ų | 111.8 | 23% | 0.227 | 51% | 0.511 | C | S | . | . | trans | -62 | 150.4 | 173.2 | -23.7 | 34.3 | 0 | 0 | 0 | 112.9 | L216 F220 | P211-L216 HydrophobicContact CB-CB 3.77Å; P211-L216 HydrophobicContact CG-CB 4.07Å; P211-F220 HydrophobicContact CG-CB 4.42Å | ||
| 212 | K | 88.5 | Confident | 90.8 | Very high | 211 Ų | 211 | 109.2 Ų | 109.2 | 92% | 0.917 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -75.7 | -33.5 | 175.8 | -68.6 | -175.3 | 178.7 | -178.4 | 0 | 113.2 | ||
| 213 | D | 92.9 | Very high | 90.8 | Very high | 85 Ų | 85 | 106.3 Ų | 106.3 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -68.1 | 135.2 | 178.9 | 178.6 | 12.4 | 0 | 0 | 0 | 111 | Q215 L216 R217 | D213-Q215 PolarHBondContact O-N 2.94Å; D213-Q215 PolarHBondContact OD1-N 3.29Å; D213-L216 HydrophobicContact CB-CB 4.34Å; D213-L216 HydrophobicContact CB-CD1 4.12Å; D213-L216 PolarHBondContact O-N 3.43Å; D213-R217 WeakPolarHBondContact O-CB 3.45Å; D213-R217 PolarHBondContact O-N 2.84Å |
| 214 | K | 92.9 | Very high | 90.9 | Very high | 184 Ų | 184 | 108 Ų | 108 | 80% | 0.8 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -43.4 | -173.8 | -65.4 | -176.3 | 179.9 | -179 | 0 | 112.2 | R218 | K214-R218 PolarHBondContact O-N 2.96Å |
| 215 | Q | 92.8 | Very high | 91.1 | Very high | 148 Ų | 148 | 108.1 Ų | 108.1 | 69% | 0.692 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.7 | -44.7 | -177.3 | -66.9 | -168.3 | -2.4 | 0 | 0 | 112 | D213 R217 R218 K219 | D213-Q215 PolarHBondContact O-N 2.94Å; D213-Q215 PolarHBondContact OD1-N 3.29Å; Q215-R217 VanDerWaalsContact C-N 3.32Å; Q215-R218 PolarHBondContact O-N 2.87Å; Q215-K219 PolarHBondContact O-N 3.45Å |
| 216 | L | 88.9 | Confident | 91.3 | Very high | 77 Ų | 77 | 110.2 Ų | 110.2 | 40% | 0.403 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 176.9 | -77.5 | 160 | 0 | 0 | 0 | 111.9 | P211 D213 K219 F220 | P211-L216 HydrophobicContact CB-CB 3.77Å; P211-L216 HydrophobicContact CG-CB 4.07Å; D213-L216 HydrophobicContact CB-CB 4.34Å; D213-L216 HydrophobicContact CB-CD1 4.12Å; D213-L216 PolarHBondContact O-N 3.43Å; L216-K219 PolarHBondContact O-N 2.74Å; L216-F220 WeakPolarHBondContact O-CB 3.42Å; L216-F220 PolarHBondContact O-N 3.13Å |
| 217 | R | 91.4 | Very high | 91.5 | Very high | 134 Ų | 134 | 107.7 Ų | 107.7 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 174.2 | -173.7 | 174.5 | 172.2 | 167.1 | 3.8 | 111.8 | D213 Q215 F220 F221 | D213-R217 WeakPolarHBondContact O-CB 3.45Å; D213-R217 PolarHBondContact O-N 2.84Å; Q215-R217 VanDerWaalsContact C-N 3.32Å; R217-F220 WeakPolarHBondContact O-CB 3.33Å; R217-F220 PolarHBondContact O-N 3.17Å; R217-F221 HydrophobicContact CG-CD2 3.79Å; R217-F221 HydrophobicContact CG-CE2 3.51Å; R217-F221 WeakPolarHBondContact O-CD2 3.38Å; R217-F221 PolarHBondContact O-N 2.84Å; R217-F221 VanDerWaalsContact O-N 3.1Å |
| 218 | R | 92.1 | Very high | 91.7 | Very high | 192 Ų | 192 | 106.8 Ų | 106.8 | 73% | 0.725 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57 | -50.8 | 174.5 | -180 | 179.2 | 172 | -179.3 | -1.2 | 111.1 | K214 Q215 F220 F221 E222 | K214-R218 PolarHBondContact O-N 2.96Å; Q215-R218 PolarHBondContact O-N 2.87Å; R218-F220 VanDerWaalsContact C-N 3.31Å; R218-F220 PolarHBondContact O-N 2.7Å; R218-F221 PolarHBondContact O-N 3.4Å; R218-E222 WeakPolarHBondContact O-CB 3.4Å; R218-E222 PolarHBondContact O-N 2.89Å |
| 219 | K | 91.2 | Very high | 92 | Very high | 133 Ų | 133 | 107.2 Ų | 107.2 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -39.8 | 178 | -70.2 | -176.3 | 178.3 | -177.3 | 0 | 112.6 | Q215 L216 E222 T223 | Q215-K219 PolarHBondContact O-N 3.45Å; L216-K219 PolarHBondContact O-N 2.74Å; K219-E222 PolarHBondContact O-N 3.43Å; K219-T223 PolarHBondContact O-N 3.15Å; K219-T223 PolarHBondContact O-OG1 3.06Å; K219-T223 VanDerWaalsContact O-OG1 3.08Å |
| 220 | F | 93.3 | Very high | 92.1 | Very high | 28 Ų | 28 | 108 Ų | 108 | 12% | 0.123 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 176.7 | 175.6 | -87.6 | 0 | 0 | 0 | 111.8 | R206 K207 P210 P211 L216 R217 R218 K224 | R206-F220 WeakPolarHBondContact O-CD2 3.38Å; R206-F220 VanDerWaalsContact O-CE2 3.28Å; R206-F220 WeakPolarHBondContact O-CE2 3.32Å; K207-F220 WeakPolarHBondContact O-CE2 3.46Å; P210-F220 HydrophobicContact CB-CD1 4.31Å; P210-F220 HydrophobicContact CB-CE1 4.24Å; P210-F220 HydrophobicContact CG-CD1 4.49Å; P210-F220 HydrophobicContact CG-CE1 3.94Å; P210-F220 HydrophobicContact CG-CZ 4.34Å; P211-F220 HydrophobicContact CG-CB 4.42Å; L216-F220 WeakPolarHBondContact O-CB 3.42Å; L216-F220 PolarHBondContact O-N 3.13Å; R217-F220 WeakPolarHBondContact O-CB 3.33Å; R217-F220 PolarHBondContact O-N 3.17Å; R218-F220 VanDerWaalsContact C-N 3.31Å; R218-F220 PolarHBondContact O-N 2.7Å; F220-K224 HydrophobicContact CD1-CG 4.46Å; F220-K224 HydrophobicContact CE1-CG 4.09Å; F220-K224 HydrophobicContact CZ-CG 4.31Å; F220-K224 WeakPolarHBondContact O-CG 3.42Å; F220-K224 PolarHBondContact O-N 3.29Å; F220-K224 VanDerWaalsContact O-N 3.11Å |
| 221 | F | 93.3 | Very high | 92.1 | Very high | 96 Ų | 96 | 107.5 Ų | 107.5 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71 | -33.9 | 179.2 | -74 | -65.2 | 0 | 0 | 0 | 112.9 | P210 R217 R218 K224 L225 | P210-F221 HydrophobicContact CB-CE2 4.44Å; P210-F221 HydrophobicContact CB-CZ 4.25Å; P210-F221 HydrophobicContact CG-CZ 4.22Å; R217-F221 HydrophobicContact CG-CD2 3.79Å; R217-F221 HydrophobicContact CG-CE2 3.51Å; R217-F221 WeakPolarHBondContact O-CD2 3.38Å; R217-F221 PolarHBondContact O-N 2.84Å; R217-F221 VanDerWaalsContact O-N 3.1Å; R218-F221 PolarHBondContact O-N 3.4Å; F221-K224 PolarHBondContact O-N 3.01Å; F221-L225 WeakPolarHBondContact O-CB 3.44Å; F221-L225 PolarHBondContact O-N 2.91Å |
| 222 | E | 93.6 | Very high | 92 | Very high | 110 Ų | 110 | 111.9 Ų | 111.9 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.5 | -50 | 172.8 | 179.2 | 176.3 | -161.1 | 0 | 0 | 111.4 | R218 K219 K224 L225 Q226 | R218-E222 WeakPolarHBondContact O-CB 3.4Å; R218-E222 PolarHBondContact O-N 2.89Å; K219-E222 PolarHBondContact O-N 3.43Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.12Å; E222-L225 PolarHBondContact O-N 2.86Å; E222-Q226 WeakPolarHBondContact O-CB 3.39Å; E222-Q226 PolarHBondContact O-N 3.16Å |
| 223 | T | 92.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 105.7 Ų | 105.7 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 175.5 | -53.8 | 0 | 0 | 0 | 0 | 112 | K219 Q226 E227 | K219-T223 PolarHBondContact O-N 3.15Å; K219-T223 PolarHBondContact O-OG1 3.06Å; K219-T223 VanDerWaalsContact O-OG1 3.08Å; T223-Q226 PolarHBondContact O-N 2.92Å; T223-E227 WeakPolarHBondContact O-CG 3.32Å; T223-E227 PolarHBondContact O-N 2.93Å |
| 224 | K | 92.7 | Very high | 91.4 | Very high | 69 Ų | 69 | 109 Ų | 109 | 30% | 0.3 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 177.5 | -74.2 | -73.8 | 160.1 | -154.2 | 0 | 112.9 | K207 F220 F221 E222 Q226 E227 L228 | K207-K224 WeakPolarHBondContact O-CE 3.35Å; F220-K224 HydrophobicContact CD1-CG 4.46Å; F220-K224 HydrophobicContact CE1-CG 4.09Å; F220-K224 HydrophobicContact CZ-CG 4.31Å; F220-K224 WeakPolarHBondContact O-CG 3.42Å; F220-K224 PolarHBondContact O-N 3.29Å; F220-K224 VanDerWaalsContact O-N 3.11Å; F221-K224 PolarHBondContact O-N 3.01Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.12Å; K224-Q226 VanDerWaalsContact C-N 3.33Å; K224-E227 IonicContact NZ-OE1 3.65Å; K224-E227 IonicContact NZ-OE2 2.7Å; K224-E227 PolarHBondContact NZ-OE2 2.96Å; K224-E227 PolarHBondContact O-N 3.06Å; K224-L228 WeakPolarHBondContact O-CG 3.44Å; K224-L228 PolarHBondContact O-N 3.32Å |
| 225 | L | 94.8 | Very high | 90.8 | Very high | 126 Ų | 126 | 109.6 Ų | 109.6 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 174.8 | -170.2 | 92.8 | 0 | 0 | 0 | 110.5 | F221 E222 L228 N229 | F221-L225 WeakPolarHBondContact O-CB 3.44Å; F221-L225 PolarHBondContact O-N 2.91Å; E222-L225 PolarHBondContact O-N 2.86Å; L225-L228 PolarHBondContact O-N 2.87Å; L225-N229 WeakPolarHBondContact O-CB 3.39Å; L225-N229 PolarHBondContact O-N 3.15Å |
| 226 | Q | 94.3 | Very high | 89.9 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.5 | -171.7 | 171.5 | 4.2 | 0 | 0 | 111.5 | E222 T223 K224 L228 N229 D230 | E222-Q226 WeakPolarHBondContact O-CB 3.39Å; E222-Q226 PolarHBondContact O-N 3.16Å; T223-Q226 PolarHBondContact O-N 2.92Å; K224-Q226 VanDerWaalsContact C-N 3.33Å; Q226-L228 VanDerWaalsContact C-N 3.27Å; Q226-L228 PolarHBondContact O-N 3.44Å; Q226-N229 PolarHBondContact O-N 3.29Å; Q226-N229 VanDerWaalsContact O-N 3.15Å; Q226-D230 WeakPolarHBondContact O-CB 3.42Å; Q226-D230 PolarHBondContact O-N 3.46Å |
| 227 | E | 92.6 | Very high | 88.8 | Confident | 97 Ų | 97 | 108 Ų | 108 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.8 | -40.4 | 174.5 | -73.2 | 172.5 | -174.7 | 0 | 0 | 112.3 | T223 K224 S231 | T223-E227 WeakPolarHBondContact O-CG 3.32Å; T223-E227 PolarHBondContact O-N 2.93Å; K224-E227 IonicContact NZ-OE1 3.65Å; K224-E227 IonicContact NZ-OE2 2.7Å; K224-E227 PolarHBondContact NZ-OE2 2.96Å; K224-E227 PolarHBondContact O-N 3.06Å; E227-S231 WeakPolarHBondContact O-CB 3.46Å; E227-S231 PolarHBondContact O-N 2.92Å |
| 228 | L | 91.3 | Very high | 87.7 | Confident | 126 Ų | 126 | 109.1 Ų | 109.1 | 66% | 0.66 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.4 | -40.6 | 176.7 | -68.6 | 177.3 | 0 | 0 | 0 | 112.5 | K224 L225 Q226 S231 F232 | K224-L228 WeakPolarHBondContact O-CG 3.44Å; K224-L228 PolarHBondContact O-N 3.32Å; L225-L228 PolarHBondContact O-N 2.87Å; Q226-L228 VanDerWaalsContact C-N 3.27Å; Q226-L228 PolarHBondContact O-N 3.44Å; L228-S231 PolarHBondContact O-N 3.45Å; L228-F232 WeakPolarHBondContact O-CB 3.49Å; L228-F232 PolarHBondContact O-N 3.28Å |
| 229 | N | 93.3 | Very high | 86.9 | Confident | 89 Ų | 89 | 104.6 Ų | 104.6 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 177.2 | -176 | 49.1 | 0 | 0 | 0 | 110.9 | L225 Q226 S231 F232 V233 | L225-N229 WeakPolarHBondContact O-CB 3.39Å; L225-N229 PolarHBondContact O-N 3.15Å; Q226-N229 PolarHBondContact O-N 3.29Å; Q226-N229 VanDerWaalsContact O-N 3.15Å; N229-S231 VanDerWaalsContact C-N 3.32Å; N229-S231 PolarHBondContact O-N 3.06Å; N229-F232 PolarHBondContact O-N 3.4Å; N229-F232 VanDerWaalsContact O-N 3.12Å; N229-V233 WeakPolarHBondContact O-CB 3.41Å; N229-V233 VanDerWaalsContact O-CG2 3.29Å; N229-V233 WeakPolarHBondContact O-CG2 3.38Å; N229-V233 PolarHBondContact O-N 3.41Å |
| 230 | D | 90.9 | Very high | 86.4 | Confident | 86 Ų | 86 | 102.3 Ų | 102.3 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.9 | -65 | -15.7 | 0 | 0 | 0 | 110.5 | Q226 F232 V233 Q234 | Q226-D230 WeakPolarHBondContact O-CB 3.42Å; Q226-D230 PolarHBondContact O-N 3.46Å; D230-F232 VanDerWaalsContact C-N 3.34Å; D230-F232 PolarHBondContact O-N 3.22Å; D230-V233 PolarHBondContact O-N 3.15Å; D230-Q234 WeakPolarHBondContact O-CB 3.48Å; D230-Q234 PolarHBondContact O-N 3.42Å |
| 231 | S | 89.7 | Confident | 85.8 | Confident | 48 Ų | 48 | 107.4 Ų | 107.4 | 34% | 0.336 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 173.2 | -177.6 | 0 | 0 | 0 | 0 | 112 | E227 L228 N229 Q234 Y235 | E227-S231 WeakPolarHBondContact O-CB 3.46Å; E227-S231 PolarHBondContact O-N 2.92Å; L228-S231 PolarHBondContact O-N 3.45Å; N229-S231 VanDerWaalsContact C-N 3.32Å; N229-S231 PolarHBondContact O-N 3.06Å; S231-Q234 WeakPolarHBondContact O-CB 3.3Å; S231-Q234 PolarHBondContact O-N 3.29Å; S231-Y235 WeakPolarHBondContact O-CD2 3.48Å; S231-Y235 PolarHBondContact O-N 3.36Å; S231-Y235 VanDerWaalsContact O-N 3.07Å |
| 232 | F | 89.2 | Confident | 85.4 | Confident | 127 Ų | 127 | 104.9 Ų | 104.9 | 56% | 0.557 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.1 | -46 | 179.2 | -177.7 | -98.9 | 0 | 0 | 0 | 111.8 | L228 N229 D230 Q234 Y235 C236 | L228-F232 WeakPolarHBondContact O-CB 3.49Å; L228-F232 PolarHBondContact O-N 3.28Å; N229-F232 PolarHBondContact O-N 3.4Å; N229-F232 VanDerWaalsContact O-N 3.12Å; D230-F232 VanDerWaalsContact C-N 3.34Å; D230-F232 PolarHBondContact O-N 3.22Å; F232-Q234 PolarHBondContact O-N 3.06Å; F232-Y235 CarbonylContact O-C 3.58Å; F232-Y235 PolarHBondContact O-N 3.16Å; F232-C236 HydrophobicContact CE1-CB 4.45Å; F232-C236 WeakPolarHBondContact CE1-SG 3.4Å; F232-C236 WeakPolarHBondContact CZ-SG 3.49Å; F232-C236 WeakPolarHBondContact O-CB 3.33Å; F232-C236 PolarHBondContact O-N 3.17Å; F232-C236 PolarHBondContact O-SG 3.18Å |
| 233 | V | 85.8 | Confident | 85 | Confident | 81 Ų | 81 | 105.7 Ų | 105.7 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -56.5 | -41.3 | 173.6 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | N229 D230 Y235 C236 H237 | N229-V233 WeakPolarHBondContact O-CB 3.41Å; N229-V233 VanDerWaalsContact O-CG2 3.29Å; N229-V233 WeakPolarHBondContact O-CG2 3.38Å; N229-V233 PolarHBondContact O-N 3.41Å; D230-V233 PolarHBondContact O-N 3.15Å; V233-Y235 VanDerWaalsContact C-N 3.34Å; V233-Y235 PolarHBondContact O-N 2.86Å; V233-C236 CarbonylContact O-C 3.55Å; V233-C236 PolarHBondContact O-N 3.43Å; V233-H237 PolarHBondContact O-N 3.03Å |
| 234 | Q | 82.1 | Confident | 84.9 | Confident | 156 Ų | 156 | 106.6 Ų | 106.6 | 73% | 0.729 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 175.8 | -171 | 171.7 | 17.1 | 0 | 0 | 112.8 | D230 S231 F232 | D230-Q234 WeakPolarHBondContact O-CB 3.48Å; D230-Q234 PolarHBondContact O-N 3.42Å; S231-Q234 WeakPolarHBondContact O-CB 3.3Å; S231-Q234 PolarHBondContact O-N 3.29Å; F232-Q234 PolarHBondContact O-N 3.06Å |
| 235 | Y | 80 | Confident | 84.9 | Confident | 196 Ų | 196 | 108.3 Ų | 108.3 | 77% | 0.769 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73 | -32 | 174.2 | -78.7 | -66.2 | 0 | 0 | 0 | 113.3 | S231 F232 V233 | S231-Y235 WeakPolarHBondContact O-CD2 3.48Å; S231-Y235 PolarHBondContact O-N 3.36Å; S231-Y235 VanDerWaalsContact O-N 3.07Å; F232-Y235 CarbonylContact O-C 3.58Å; F232-Y235 PolarHBondContact O-N 3.16Å; V233-Y235 VanDerWaalsContact C-N 3.34Å; V233-Y235 PolarHBondContact O-N 2.86Å |
| 236 | C | 75.1 | Confident | 84.8 | Confident | 70 Ų | 70 | 107.2 Ų | 107.2 | 47% | 0.473 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -87.9 | -1.1 | -178.8 | -70.9 | 0 | 0 | 0 | 0 | 114.1 | F232 V233 M238 | F232-C236 HydrophobicContact CE1-CB 4.45Å; F232-C236 WeakPolarHBondContact CE1-SG 3.4Å; F232-C236 WeakPolarHBondContact CZ-SG 3.49Å; F232-C236 WeakPolarHBondContact O-CB 3.33Å; F232-C236 PolarHBondContact O-N 3.17Å; F232-C236 PolarHBondContact O-SG 3.18Å; V233-C236 CarbonylContact O-C 3.55Å; V233-C236 PolarHBondContact O-N 3.43Å; C236-M238 PolarHBondContact O-N 3.42Å |
| 237 | H | 65.9 | Low | 84.7 | Confident | 122 Ų | 122 | 105.4 Ų | 105.4 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | trans | -67.9 | 78.3 | 171.7 | -163.4 | -76.1 | 0 | 0 | 0 | 109.3 | V233 D239 | V233-H237 PolarHBondContact O-N 3.03Å; H237-D239 PolarHBondContact O-N 3.35Å | ||
| 238 | M | 68.6 | Low | 84.9 | Confident | 156 Ų | 156 | 105.4 Ų | 105.4 | 77% | 0.768 | 54% | 0.54 | S | S | * | . | trans | -53.4 | 135.4 | 155.5 | -73 | 171.9 | 57.4 | 0 | 0 | 106.4 | C236 V240 | C236-M238 PolarHBondContact O-N 3.42Å; M238-V240 PolarHBondContact O-N 2.89Å | ||
| 239 | D | 74.3 | Confident | 85 | Confident | 98 Ų | 98 | 105.7 Ų | 105.7 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | trans | -73.2 | 71.3 | -177.1 | -161.8 | -11.1 | 0 | 0 | 0 | 110 | H237 E241 A242 F243 | H237-D239 PolarHBondContact O-N 3.35Å; D239-E241 PolarHBondContact O-N 3.18Å; D239-A242 HydrophobicContact CB-CB 3.84Å; D239-A242 PolarHBondContact O-N 3.43Å; D239-A242 WeakPolarHBondContact OD1-CB 3.14Å; D239-A242 PolarHBondContact OD1-N 3.01Å; D239-A242 WeakPolarHBondContact OD2-CB 3.49Å; D239-F243 PolarHBondContact O-N 2.85Å | ||
| 240 | V | 80.4 | Confident | 85.1 | Confident | 84 Ų | 84 | 104.8 Ų | 104.8 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -33.7 | 178.1 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | M238 F243 L244 | M238-V240 PolarHBondContact O-N 2.89Å; V240-F243 PolarHBondContact O-N 2.99Å; V240-L244 HydrophobicContact CG1-CD1 4.01Å; V240-L244 HydrophobicContact CG1-CG 4.26Å; V240-L244 WeakPolarHBondContact O-CB 3.44Å; V240-L244 VanDerWaalsContact O-CG 3.24Å; V240-L244 WeakPolarHBondContact O-CG 3.46Å; V240-L244 PolarHBondContact O-N 3.38Å |
| 241 | E | 81.7 | Confident | 85.3 | Confident | 135 Ų | 135 | 103.8 Ų | 103.8 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 174.2 | -68 | -173.5 | 174.4 | 0 | 0 | 111.7 | D239 F243 L244 N245 | D239-E241 PolarHBondContact O-N 3.18Å; E241-F243 VanDerWaalsContact C-N 3.34Å; E241-F243 PolarHBondContact O-N 2.95Å; E241-L244 PolarHBondContact O-N 2.99Å; E241-N245 VanDerWaalsContact O-CB 3.3Å; E241-N245 WeakPolarHBondContact O-CB 3.5Å; E241-N245 VanDerWaalsContact O-CG 3.23Å; E241-N245 PolarHBondContact O-N 3.34Å; E241-N245 PolarHBondContact O-ND2 2.87Å; E241-N245 VanDerWaalsContact O-ND2 3.12Å |
| 242 | A | 84 | Confident | 85.3 | Confident | 43 Ų | 43 | 104.1 Ų | 104.1 | 36% | 0.355 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D239 N245 D246 | D239-A242 HydrophobicContact CB-CB 3.84Å; D239-A242 PolarHBondContact O-N 3.43Å; D239-A242 WeakPolarHBondContact OD1-CB 3.14Å; D239-A242 PolarHBondContact OD1-N 3.01Å; D239-A242 WeakPolarHBondContact OD2-CB 3.49Å; A242-N245 PolarHBondContact O-N 3.47Å; A242-D246 WeakPolarHBondContact O-CB 3.37Å; A242-D246 PolarHBondContact O-N 3.48Å |
| 243 | F | 85.9 | Confident | 85.4 | Confident | 127 Ų | 127 | 100.8 Ų | 100.8 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -44.8 | 176 | 174.2 | -104.6 | 0 | 0 | 0 | 112.3 | D239 V240 E241 D246 I247 | D239-F243 PolarHBondContact O-N 2.85Å; V240-F243 PolarHBondContact O-N 2.99Å; E241-F243 VanDerWaalsContact C-N 3.34Å; E241-F243 PolarHBondContact O-N 2.95Å; F243-D246 PolarHBondContact O-N 2.97Å; F243-I247 HydrophobicContact CD1-CD1 4.04Å; F243-I247 HydrophobicContact CE1-CD1 3.43Å; F243-I247 VanDerWaalsContact CE1-CD1 3.43Å; F243-I247 HydrophobicContact CE1-CG1 4.49Å; F243-I247 HydrophobicContact CE2-CD1 4.23Å; F243-I247 HydrophobicContact CZ-CD1 3.55Å; F243-I247 HydrophobicContact CZ-CG1 4.36Å; F243-I247 PolarHBondContact O-N 3.32Å; F243-I247 VanDerWaalsContact O-N 3.13Å |
| 244 | L | 91.3 | Very high | 85.6 | Confident | 92 Ų | 92 | 99.9 Ų | 99.9 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 176.9 | -68.8 | 175.3 | 0 | 0 | 0 | 111.5 | V240 E241 D246 I247 D248 | V240-L244 HydrophobicContact CG1-CD1 4.01Å; V240-L244 HydrophobicContact CG1-CG 4.26Å; V240-L244 WeakPolarHBondContact O-CB 3.44Å; V240-L244 VanDerWaalsContact O-CG 3.24Å; V240-L244 WeakPolarHBondContact O-CG 3.46Å; V240-L244 PolarHBondContact O-N 3.38Å; E241-L244 PolarHBondContact O-N 2.99Å; L244-D246 VanDerWaalsContact C-N 3.31Å; L244-D246 PolarHBondContact O-N 3.38Å; L244-I247 PolarHBondContact O-N 3.28Å; L244-D248 PolarHBondContact O-N 2.93Å |
| 245 | N | 91.6 | Very high | 85.8 | Confident | 105 Ų | 105 | 99.9 Ų | 99.9 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.9 | -37.9 | 174 | -78.2 | -33.8 | 0 | 0 | 0 | 112.3 | E241 A242 D248 Q249 | E241-N245 VanDerWaalsContact O-CB 3.3Å; E241-N245 WeakPolarHBondContact O-CB 3.5Å; E241-N245 VanDerWaalsContact O-CG 3.23Å; E241-N245 PolarHBondContact O-N 3.34Å; E241-N245 PolarHBondContact O-ND2 2.87Å; E241-N245 VanDerWaalsContact O-ND2 3.12Å; A242-N245 PolarHBondContact O-N 3.47Å; N245-D248 PolarHBondContact O-N 3.29Å; N245-Q249 VanDerWaalsContact O-CB 3.25Å; N245-Q249 WeakPolarHBondContact O-CB 3.37Å; N245-Q249 PolarHBondContact O-N 3.38Å |
| 246 | D | 92.4 | Very high | 86 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.5 | -41 | 176 | -170.7 | 44.5 | 0 | 0 | 0 | 111.5 | A242 F243 L244 Q249 S250 | A242-D246 WeakPolarHBondContact O-CB 3.37Å; A242-D246 PolarHBondContact O-N 3.48Å; F243-D246 PolarHBondContact O-N 2.97Å; L244-D246 VanDerWaalsContact C-N 3.31Å; L244-D246 PolarHBondContact O-N 3.38Å; D246-Q249 PolarHBondContact O-N 2.79Å; D246-S250 WeakPolarHBondContact O-CB 3.18Å; D246-S250 PolarHBondContact O-N 3.24Å |
| 247 | I | 93.8 | Very high | 86.6 | Confident | 73 Ų | 73 | 99.4 Ų | 99.4 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 173 | -68.2 | 172.5 | 0 | 0 | 0 | 110.9 | F243 L244 Q249 S250 V251 | F243-I247 HydrophobicContact CD1-CD1 4.04Å; F243-I247 HydrophobicContact CE1-CD1 3.43Å; F243-I247 VanDerWaalsContact CE1-CD1 3.43Å; F243-I247 HydrophobicContact CE1-CG1 4.49Å; F243-I247 HydrophobicContact CE2-CD1 4.23Å; F243-I247 HydrophobicContact CZ-CD1 3.55Å; F243-I247 HydrophobicContact CZ-CG1 4.36Å; F243-I247 PolarHBondContact O-N 3.32Å; F243-I247 VanDerWaalsContact O-N 3.13Å; L244-I247 PolarHBondContact O-N 3.28Å; I247-Q249 VanDerWaalsContact C-N 3.3Å; I247-Q249 PolarHBondContact O-N 3.2Å; I247-S250 WeakPolarHBondContact O-CB 3.39Å; I247-S250 PolarHBondContact O-N 3.25Å; I247-V251 HydrophobicContact CG2-CG2 4.49Å; I247-V251 WeakPolarHBondContact O-CG2 3.34Å; I247-V251 PolarHBondContact O-N 3.28Å |
| 248 | D | 94.9 | Very high | 87.2 | Confident | 97 Ų | 97 | 100.3 Ų | 100.3 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | -179.3 | -76.5 | -22.8 | 0 | 0 | 0 | 111.8 | L244 N245 V251 S252 | L244-D248 PolarHBondContact O-N 2.93Å; N245-D248 PolarHBondContact O-N 3.29Å; D248-V251 PolarHBondContact O-N 2.95Å; D248-S252 WeakPolarHBondContact O-CB 3.48Å; D248-S252 PolarHBondContact O-N 3.25Å; D248-S252 PolarHBondContact O-OG 3.4Å |
| 249 | Q | 94.4 | Very high | 87.4 | Confident | 131 Ų | 131 | 98 Ų | 98 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -40.6 | 174.9 | -173 | 168.3 | 19.7 | 0 | 0 | 111.7 | N245 D246 I247 S252 S253 | N245-Q249 VanDerWaalsContact O-CB 3.25Å; N245-Q249 WeakPolarHBondContact O-CB 3.37Å; N245-Q249 PolarHBondContact O-N 3.38Å; D246-Q249 PolarHBondContact O-N 2.79Å; I247-Q249 VanDerWaalsContact C-N 3.3Å; I247-Q249 PolarHBondContact O-N 3.2Å; Q249-S252 PolarHBondContact O-N 2.83Å; Q249-S253 WeakPolarHBondContact O-CB 3.4Å; Q249-S253 PolarHBondContact O-N 2.98Å; Q249-S253 PolarHBondContact O-OG 3.47Å |
| 250 | S | 95.1 | Very high | 87.6 | Confident | 71 Ų | 71 | 99.2 Ų | 99.2 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -50.3 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | D246 I247 S252 S253 S254 | D246-S250 WeakPolarHBondContact O-CB 3.18Å; D246-S250 PolarHBondContact O-N 3.24Å; I247-S250 WeakPolarHBondContact O-CB 3.39Å; I247-S250 PolarHBondContact O-N 3.25Å; S250-S252 PolarHBondContact O-N 3.41Å; S250-S253 WeakPolarHBondContact O-CB 3.13Å; S250-S253 PolarHBondContact O-N 3.27Å; S250-S254 PolarHBondContact O-N 2.8Å; S250-S254 PolarHBondContact O-OG 3.24Å |
| 251 | V | 94.9 | Very high | 87.1 | Confident | 64 Ų | 64 | 101.1 Ų | 101.1 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 177.7 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | I247 D248 S253 S254 R255 | I247-V251 HydrophobicContact CG2-CG2 4.49Å; I247-V251 WeakPolarHBondContact O-CG2 3.34Å; I247-V251 PolarHBondContact O-N 3.28Å; D248-V251 PolarHBondContact O-N 2.95Å; V251-S253 VanDerWaalsContact C-N 3.29Å; V251-S253 PolarHBondContact O-N 3.44Å; V251-S254 PolarHBondContact O-N 2.91Å; V251-R255 WeakPolarHBondContact O-CG 3.44Å; V251-R255 PolarHBondContact O-N 2.93Å |
| 252 | S | 90.8 | Very high | 86.4 | Confident | 55 Ų | 55 | 98.9 Ų | 98.9 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 177.3 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | D248 Q249 S250 R255 R256 | D248-S252 WeakPolarHBondContact O-CB 3.48Å; D248-S252 PolarHBondContact O-N 3.25Å; D248-S252 PolarHBondContact O-OG 3.4Å; Q249-S252 PolarHBondContact O-N 2.83Å; S250-S252 PolarHBondContact O-N 3.41Å; S252-R255 PolarHBondContact O-N 3.35Å; S252-R256 WeakPolarHBondContact O-CG 3.31Å; S252-R256 PolarHBondContact O-N 2.87Å; S252-R256 VanDerWaalsContact O-N 3.09Å |
| 253 | S | 90.1 | Very high | 85.5 | Confident | 58 Ų | 58 | 107 Ų | 107 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | Q249 S250 V251 R255 R256 V257 | Q249-S253 WeakPolarHBondContact O-CB 3.4Å; Q249-S253 PolarHBondContact O-N 2.98Å; Q249-S253 PolarHBondContact O-OG 3.47Å; S250-S253 WeakPolarHBondContact O-CB 3.13Å; S250-S253 PolarHBondContact O-N 3.27Å; V251-S253 VanDerWaalsContact C-N 3.29Å; V251-S253 PolarHBondContact O-N 3.44Å; S253-R255 PolarHBondContact O-N 3.44Å; S253-R256 PolarHBondContact O-N 3.43Å; S253-V257 PolarHBondContact O-N 3.48Å |
| 254 | S | 91 | Very high | 84.3 | Confident | 61 Ų | 61 | 107 Ų | 107 | 43% | 0.427 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 174.2 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | S250 V251 R256 V257 F258 | S250-S254 PolarHBondContact O-N 2.8Å; S250-S254 PolarHBondContact O-OG 3.24Å; V251-S254 PolarHBondContact O-N 2.91Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact O-N 3.09Å; S254-V257 PolarHBondContact O-N 3.48Å; S254-F258 WeakPolarHBondContact O-CD2 3.33Å; S254-F258 PolarHBondContact O-N 3.36Å |
| 255 | R | 85.6 | Confident | 82.7 | Confident | 157 Ų | 157 | 110.2 Ų | 110.2 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.8 | -38.5 | 178 | -72.4 | 175.3 | -178.6 | -89.6 | 2 | 112.6 | V251 S252 S253 V257 F258 H259 | V251-R255 WeakPolarHBondContact O-CG 3.44Å; V251-R255 PolarHBondContact O-N 2.93Å; S252-R255 PolarHBondContact O-N 3.35Å; S253-R255 PolarHBondContact O-N 3.44Å; R255-V257 VanDerWaalsContact C-N 3.34Å; R255-V257 PolarHBondContact O-N 3.41Å; R255-F258 PolarHBondContact O-N 3.15Å; R255-H259 PolarHBondContact O-CD2 3.28Å; R255-H259 VanDerWaalsContact O-CD2 3.23Å; R255-H259 PolarHBondContact O-N 3.4Å |
| 256 | R | 84.5 | Confident | 81.3 | Confident | 179 Ų | 179 | 107 Ų | 107 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 177.2 | -73 | 171.9 | -175.8 | -178.9 | 2.6 | 112.3 | S252 S253 S254 H259 Q260 | S252-R256 WeakPolarHBondContact O-CG 3.31Å; S252-R256 PolarHBondContact O-N 2.87Å; S252-R256 VanDerWaalsContact O-N 3.09Å; S253-R256 PolarHBondContact O-N 3.43Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact O-N 3.09Å; R256-H259 PolarHBondContact O-N 2.86Å; R256-Q260 PolarHBondContact O-N 2.94Å |
| 257 | V | 86.6 | Confident | 79.8 | Confident | 76 Ų | 76 | 107.1 Ų | 107.1 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 176.5 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | S253 S254 R255 H259 Q260 F261 | S253-V257 PolarHBondContact O-N 3.48Å; S254-V257 PolarHBondContact O-N 3.48Å; R255-V257 VanDerWaalsContact C-N 3.34Å; R255-V257 PolarHBondContact O-N 3.41Å; V257-H259 VanDerWaalsContact C-N 3.35Å; V257-H259 PolarHBondContact O-N 3.39Å; V257-Q260 WeakPolarHBondContact O-CB 3.35Å; V257-Q260 PolarHBondContact O-N 3.44Å; V257-Q260 VanDerWaalsContact O-N 3.14Å; V257-F261 HydrophobicContact CG1-CD2 3.98Å; V257-F261 HydrophobicContact CG1-CE2 3.7Å; V257-F261 VanDerWaalsContact O-CD2 3.3Å; V257-F261 WeakPolarHBondContact O-CD2 3.36Å; V257-F261 PolarHBondContact O-N 3.01Å |
| 258 | F | 79.1 | Confident | 78.5 | Confident | 142 Ų | 142 | 111.1 Ų | 111.1 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.6 | -43.7 | 177.2 | -71.4 | -67.3 | 0 | 0 | 0 | 112.5 | S254 R255 Q260 F261 E262 | S254-F258 WeakPolarHBondContact O-CD2 3.33Å; S254-F258 PolarHBondContact O-N 3.36Å; R255-F258 PolarHBondContact O-N 3.15Å; F258-Q260 VanDerWaalsContact C-N 3.28Å; F258-Q260 PolarHBondContact O-N 3.19Å; F258-F261 PolarHBondContact O-N 3.03Å; F258-E262 WeakPolarHBondContact O-CG 3.12Å; F258-E262 PolarHBondContact O-N 3.46Å |
| 259 | H | 74 | Confident | 77.4 | Confident | 108 Ų | 108 | 107.7 Ų | 107.7 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.4 | -28.2 | 176.5 | -75.5 | -48.9 | 0 | 0 | 0 | 114.1 | R255 R256 V257 E262 R263 | R255-H259 PolarHBondContact O-CD2 3.28Å; R255-H259 VanDerWaalsContact O-CD2 3.23Å; R255-H259 PolarHBondContact O-N 3.4Å; R256-H259 PolarHBondContact O-N 2.86Å; V257-H259 VanDerWaalsContact C-N 3.35Å; V257-H259 PolarHBondContact O-N 3.39Å; H259-E262 IonicContact CE1-OE2 3.51Å; H259-E262 IonicContact CG-OE2 3.97Å; H259-E262 IonicContact ND1-OE2 3.82Å; H259-E262 PolarHBondContact ND1-OE2 2.94Å; H259-R263 PolarHBondContact O-N 3.32Å |
| 260 | Q | 76.6 | Confident | 76.2 | Confident | 122 Ų | 122 | 108.5 Ų | 108.5 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.4 | -45.8 | 175.1 | -174.5 | 172.1 | -3.1 | 0 | 0 | 111.1 | R256 V257 F258 E262 R263 E264 | R256-Q260 PolarHBondContact O-N 2.94Å; V257-Q260 WeakPolarHBondContact O-CB 3.35Å; V257-Q260 PolarHBondContact O-N 3.44Å; V257-Q260 VanDerWaalsContact O-N 3.14Å; F258-Q260 VanDerWaalsContact C-N 3.28Å; F258-Q260 PolarHBondContact O-N 3.19Å; Q260-E262 VanDerWaalsContact C-N 3.31Å; Q260-E262 PolarHBondContact O-N 3Å; Q260-R263 PolarHBondContact O-N 2.86Å; Q260-R263 VanDerWaalsContact O-N 3.14Å; Q260-E264 PolarHBondContact O-N 3.08Å |
| 261 | F | 70.9 | Confident | 75 | Confident | 125 Ų | 125 | 113.1 Ų | 113.1 | 55% | 0.548 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 174.2 | -79.3 | -72.7 | 0 | 0 | 0 | 112.4 | V257 F258 R263 E264 H265 | V257-F261 HydrophobicContact CG1-CD2 3.98Å; V257-F261 HydrophobicContact CG1-CE2 3.7Å; V257-F261 VanDerWaalsContact O-CD2 3.3Å; V257-F261 WeakPolarHBondContact O-CD2 3.36Å; V257-F261 PolarHBondContact O-N 3.01Å; F258-F261 PolarHBondContact O-N 3.03Å; F261-R263 VanDerWaalsContact C-N 3.26Å; F261-R263 PolarHBondContact O-N 3.34Å; F261-E264 PolarHBondContact O-N 3.42Å; F261-H265 PolarHBondContact O-CD2 3.26Å |
| 262 | E | 66.3 | Low | 73.7 | Confident | 88 Ų | 88 | 115 Ų | 115 | 41% | 0.411 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.8 | -31.8 | 176.3 | -73.6 | 174.3 | 166.5 | 0 | 0 | 112.8 | F258 H259 Q260 V266 | F258-E262 WeakPolarHBondContact O-CG 3.12Å; F258-E262 PolarHBondContact O-N 3.46Å; H259-E262 IonicContact CE1-OE2 3.51Å; H259-E262 IonicContact CG-OE2 3.97Å; H259-E262 IonicContact ND1-OE2 3.82Å; H259-E262 PolarHBondContact ND1-OE2 2.94Å; Q260-E262 VanDerWaalsContact C-N 3.31Å; Q260-E262 PolarHBondContact O-N 3Å; E262-V266 WeakPolarHBondContact O-CG2 3.44Å |
| 263 | R | 64.7 | Low | 73 | Confident | 212 Ų | 212 | 115.5 Ų | 115.5 | 80% | 0.8 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.6 | -32.3 | -178.7 | -166 | 178.1 | -65.3 | -178.1 | -0.5 | 112.8 | H259 Q260 F261 H265 | H259-R263 PolarHBondContact O-N 3.32Å; Q260-R263 PolarHBondContact O-N 2.86Å; Q260-R263 VanDerWaalsContact O-N 3.14Å; F261-R263 VanDerWaalsContact C-N 3.26Å; F261-R263 PolarHBondContact O-N 3.34Å; R263-H265 VanDerWaalsContact C-N 3.3Å; R263-H265 PolarHBondContact O-N 3.47Å |
| 264 | E | 61.2 | Low | 72.5 | Confident | 129 Ų | 129 | 114.2 Ų | 114.2 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.1 | -21.5 | -179.9 | -71 | 177.5 | -175.9 | 0 | 0 | 112.8 | Q260 F261 | Q260-E264 PolarHBondContact O-N 3.08Å; F261-E264 PolarHBondContact O-N 3.42Å |
| 265 | H | 59.2 | Low | 71.8 | Confident | 158 Ų | 158 | 117 Ų | 117 | 73% | 0.731 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 12.1 | -171.9 | -86.3 | -73.4 | 0 | 0 | 0 | 116.3 | F261 R263 | F261-H265 PolarHBondContact O-CD2 3.26Å; R263-H265 VanDerWaalsContact C-N 3.3Å; R263-H265 PolarHBondContact O-N 3.47Å |
| 266 | V | 60.4 | Low | 71.5 | Confident | 37 Ų | 37 | 115 Ų | 115 | 22% | 0.224 | 54% | 0.54 | C | S | . | . | trans | -118.3 | 75.5 | -175.9 | -167.1 | 0 | 0 | 0 | 0 | 112.3 | E262 P352 | E262-V266 WeakPolarHBondContact O-CG2 3.44Å; V266-P352 HydrophobicContact CG1-CB 4.43Å; V266-P352 HydrophobicContact CG2-CB 3.59Å; V266-P352 HydrophobicContact CG2-CG 3.24Å | ||
| 267 | S | 61.9 | Low | 71.3 | Confident | 106 Ų | 106 | 107.4 Ų | 107.4 | 74% | 0.741 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 146.5 | 162.7 | -55.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 268 | E | 66.3 | Low | 70.8 | Confident | 157 Ų | 157 | 107.8 Ų | 107.8 | 73% | 0.734 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 126 | 176.4 | -167.1 | 168 | -161.3 | 0 | 0 | 110.1 | ||
| 269 | P | 71.3 | Confident | 70.7 | Confident | 26 Ų | 26 | 106.7 Ų | 106.7 | 17% | 0.169 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 138 | -179.7 | -14.2 | 25.7 | 0 | 0 | 0 | 111.4 | D273 W274 H354 | P269-D273 HydrophobicContact CB-CB 4.02Å; P269-W274 HydrophobicContact CB-CZ2 4.41Å; P269-W274 HydrophobicContact CG-CZ2 3.95Å; P269-W274 PolarHBondContact O-NE1 3.09Å; P269-H354 WeakPolarHBondContact CD-ND1 3.31Å |
| 270 | Q | 70.1 | Confident | 70.9 | Confident | 148 Ų | 148 | 106.8 Ų | 106.8 | 69% | 0.692 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 165.1 | 173.7 | -71.3 | -168.6 | -72.1 | 0 | 0 | 111.5 | D272 D273 W274 | Q270-D272 VanDerWaalsContact C-N 3.27Å; Q270-D272 PolarHBondContact O-N 3.38Å; Q270-D273 PolarHBondContact N-OD2 3.32Å; Q270-D273 WeakPolarHBondContact O-CB 3.28Å; Q270-D273 PolarHBondContact O-N 2.89Å; Q270-W274 VanDerWaalsContact O-CD1 3.31Å; Q270-W274 PolarHBondContact O-N 3.19Å |
| 271 | E | 69.1 | Low | 71.1 | Confident | 168 Ų | 168 | 101.6 Ų | 101.6 | 79% | 0.785 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -54.2 | -39.5 | -179.8 | -87.1 | -179.8 | 151.7 | 0 | 0 | 113.4 | D273 W274 Q275 | E271-D273 PolarHBondContact O-N 3.16Å; E271-W274 PolarHBondContact O-N 3.39Å; E271-Q275 PolarHBondContact O-N 3.05Å |
| 272 | D | 67.6 | Low | 71.2 | Confident | 104 Ų | 104 | 101.5 Ų | 101.5 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.5 | -26.6 | 177.1 | -68.3 | -21.2 | 0 | 0 | 0 | 112.8 | Q270 K276 | Q270-D272 VanDerWaalsContact C-N 3.27Å; Q270-D272 PolarHBondContact O-N 3.38Å; D272-K276 WeakPolarHBondContact O-CG 3.43Å; D272-K276 PolarHBondContact O-N 3.23Å |
| 273 | D | 76.4 | Confident | 71.4 | Confident | 65 Ų | 65 | 105 Ų | 105 | 35% | 0.348 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -78.4 | -35.4 | 176.8 | -64.6 | -37.6 | 0 | 0 | 0 | 111.2 | P269 Q270 E271 Q275 K276 I277 | P269-D273 HydrophobicContact CB-CB 4.02Å; Q270-D273 PolarHBondContact N-OD2 3.32Å; Q270-D273 WeakPolarHBondContact O-CB 3.28Å; Q270-D273 PolarHBondContact O-N 2.89Å; E271-D273 PolarHBondContact O-N 3.16Å; D273-Q275 VanDerWaalsContact C-N 3.34Å; D273-Q275 PolarHBondContact O-N 3.31Å; D273-K276 PolarHBondContact O-N 3.38Å; D273-K276 IonicContact OD1-NZ 2.77Å; D273-I277 WeakPolarHBondContact O-CB 3.48Å; D273-I277 WeakPolarHBondContact O-CD1 3.32Å; D273-I277 WeakPolarHBondContact O-CG1 3.44Å; D273-I277 PolarHBondContact O-N 3.01Å |
| 274 | W | 79.8 | Confident | 71.8 | Confident | 31 Ų | 31 | 101.9 Ų | 101.9 | 12% | 0.117 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 175 | -72.9 | 108.1 | 0 | 0 | 0 | 112.5 | P269 Q270 E271 I277 Q278 L320 H354 I356 | P269-W274 HydrophobicContact CB-CZ2 4.41Å; P269-W274 HydrophobicContact CG-CZ2 3.95Å; P269-W274 PolarHBondContact O-NE1 3.09Å; Q270-W274 VanDerWaalsContact O-CD1 3.31Å; Q270-W274 PolarHBondContact O-N 3.19Å; E271-W274 PolarHBondContact O-N 3.39Å; W274-I277 HydrophobicContact CE3-CD1 4.2Å; W274-I277 PolarHBondContact O-N 3.41Å; W274-Q278 WeakPolarHBondContact O-CB 3.39Å; W274-Q278 PolarHBondContact O-N 3.05Å; W274-L320 HydrophobicContact CZ3-CG 4.34Å; W274-H354 HydrophobicContact CH2-CB 4.08Å; W274-H354 WeakPolarHBondContact CH2-O 3.06Å; W274-H354 HydrophobicContact CZ2-CB 3.78Å; W274-I356 HydrophobicContact CB-CD1 4.27Å; W274-I356 HydrophobicContact CD2-CD1 3.79Å; W274-I356 HydrophobicContact CD2-CG1 4.3Å; W274-I356 HydrophobicContact CD2-CG2 4.03Å; W274-I356 HydrophobicContact CE3-CD1 3.42Å; W274-I356 VanDerWaalsContact CE3-CD1 3.42Å; W274-I356 HydrophobicContact CE3-CG1 3.73Å; W274-I356 HydrophobicContact CE3-CG2 4.2Å; W274-I356 HydrophobicContact CG-CD1 4.17Å; W274-I356 HydrophobicContact CH2-CG1 4.29Å; W274-I356 HydrophobicContact CH2-CG2 3.91Å; W274-I356 HydrophobicContact CZ2-CG2 3.75Å; W274-I356 HydrophobicContact CZ3-CB 4.49Å; W274-I356 HydrophobicContact CZ3-CD1 3.98Å; W274-I356 HydrophobicContact CZ3-CG1 3.72Å; W274-I356 HydrophobicContact CZ3-CG2 4.14Å |
| 275 | Q | 75.8 | Confident | 72.2 | Confident | 119 Ų | 119 | 100.9 Ų | 100.9 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -46.9 | 174.2 | -68.5 | -178.8 | 7.3 | 0 | 0 | 111.6 | E271 D273 I277 Q278 E279 | E271-Q275 PolarHBondContact O-N 3.05Å; D273-Q275 VanDerWaalsContact C-N 3.34Å; D273-Q275 PolarHBondContact O-N 3.31Å; Q275-I277 VanDerWaalsContact C-N 3.3Å; Q275-I277 PolarHBondContact O-N 3.34Å; Q275-Q278 PolarHBondContact O-N 3.35Å; Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 3.29Å |
| 276 | K | 79.3 | Confident | 72.9 | Confident | 116 Ų | 116 | 96 Ų | 96 | 50% | 0.504 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -36.1 | 175.3 | -67.5 | 170 | -170 | 159.2 | 0 | 112.5 | D272 D273 K280 | D272-K276 WeakPolarHBondContact O-CG 3.43Å; D272-K276 PolarHBondContact O-N 3.23Å; D273-K276 PolarHBondContact O-N 3.38Å; D273-K276 IonicContact OD1-NZ 2.77Å; K276-K280 WeakPolarHBondContact O-CG 3.48Å; K276-K280 PolarHBondContact O-N 3.3Å |
| 277 | I | 80.8 | Confident | 73.4 | Confident | 19 Ų | 19 | 99 Ų | 99 | 10% | 0.097 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 176.5 | -68.1 | 162.9 | 0 | 0 | 0 | 110 | D273 W274 Q275 K280 V281 L320 | D273-I277 WeakPolarHBondContact O-CB 3.48Å; D273-I277 WeakPolarHBondContact O-CD1 3.32Å; D273-I277 WeakPolarHBondContact O-CG1 3.44Å; D273-I277 PolarHBondContact O-N 3.01Å; W274-I277 HydrophobicContact CE3-CD1 4.2Å; W274-I277 PolarHBondContact O-N 3.41Å; Q275-I277 VanDerWaalsContact C-N 3.3Å; Q275-I277 PolarHBondContact O-N 3.34Å; I277-K280 PolarHBondContact O-N 3.46Å; I277-V281 WeakPolarHBondContact O-CG2 3.19Å; I277-V281 PolarHBondContact O-N 3.14Å; I277-L320 HydrophobicContact CG2-CD1 4.11Å; I277-L320 HydrophobicContact CG2-CD2 4.05Å; I277-L320 HydrophobicContact CG2-CG 4.24Å |
| 278 | Q | 76.5 | Confident | 74.4 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 39% | 0.393 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 177.5 | -168.8 | 172.7 | -5 | 0 | 0 | 112 | W274 Q275 K280 V281 I282 L320 | W274-Q278 WeakPolarHBondContact O-CB 3.39Å; W274-Q278 PolarHBondContact O-N 3.05Å; Q275-Q278 PolarHBondContact O-N 3.35Å; Q278-K280 VanDerWaalsContact C-N 3.33Å; Q278-K280 PolarHBondContact O-N 3.35Å; Q278-V281 PolarHBondContact O-N 3.19Å; Q278-V281 VanDerWaalsContact O-N 3.16Å; Q278-I282 HydrophobicContact CG-CD1 4.43Å; Q278-I282 WeakPolarHBondContact O-CG1 3.36Å; Q278-I282 PolarHBondContact O-N 3.23Å; Q278-L320 HydrophobicContact CB-CD2 4.37Å |
| 279 | E | 77.1 | Confident | 75.4 | Confident | 118 Ų | 118 | 90.7 Ų | 90.7 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59 | -42.3 | 173.7 | -72.4 | 176 | 174.6 | 0 | 0 | 112.4 | Q275 V281 I282 Q283 | Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 3.29Å; E279-V281 VanDerWaalsContact C-N 3.27Å; E279-V281 PolarHBondContact O-N 3.42Å; E279-I282 PolarHBondContact O-N 3.33Å; E279-Q283 WeakPolarHBondContact O-CG 3.35Å; E279-Q283 PolarHBondContact O-N 3.27Å |
| 280 | K | 78.7 | Confident | 76 | Confident | 110 Ų | 110 | 91.5 Ų | 91.5 | 48% | 0.478 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -33.7 | 176.5 | -75.5 | 174.7 | -179 | 177.3 | 0 | 112.9 | K276 I277 Q278 R284 | K276-K280 WeakPolarHBondContact O-CG 3.48Å; K276-K280 PolarHBondContact O-N 3.3Å; I277-K280 PolarHBondContact O-N 3.46Å; Q278-K280 VanDerWaalsContact C-N 3.33Å; Q278-K280 PolarHBondContact O-N 3.35Å; K280-R284 WeakPolarHBondContact O-CG 3.47Å; K280-R284 PolarHBondContact O-N 3.1Å |
| 281 | V | 79.6 | Confident | 76.8 | Confident | 14 Ų | 14 | 87.4 Ų | 87.4 | 9% | 0.085 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -73.2 | -40.2 | 178.4 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | I277 Q278 E279 Q283 R284 D285 L320 S324 L326 | I277-V281 WeakPolarHBondContact O-CG2 3.19Å; I277-V281 PolarHBondContact O-N 3.14Å; Q278-V281 PolarHBondContact O-N 3.19Å; Q278-V281 VanDerWaalsContact O-N 3.16Å; E279-V281 VanDerWaalsContact C-N 3.27Å; E279-V281 PolarHBondContact O-N 3.42Å; V281-Q283 VanDerWaalsContact C-N 3.29Å; V281-Q283 PolarHBondContact O-N 3.41Å; V281-R284 PolarHBondContact O-N 3.49Å; V281-R284 VanDerWaalsContact O-N 3.15Å; V281-D285 PolarHBondContact O-N 2.93Å; V281-L320 HydrophobicContact CG2-CD1 3.7Å; V281-S324 WeakPolarHBondContact CG2-O 3.47Å; V281-L326 HydrophobicContact CG1-CD1 3.31Å; V281-L326 HydrophobicContact CG1-CD2 4.33Å; V281-L326 HydrophobicContact CG1-CG 3.7Å |
| 282 | I | 73.1 | Confident | 77.6 | Confident | 123 Ų | 123 | 81.4 Ų | 81.4 | 63% | 0.631 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.3 | -40.9 | 173.9 | -65.3 | 164.8 | 0 | 0 | 0 | 110.6 | Q278 E279 R284 D285 | Q278-I282 HydrophobicContact CG-CD1 4.43Å; Q278-I282 WeakPolarHBondContact O-CG1 3.36Å; Q278-I282 PolarHBondContact O-N 3.23Å; E279-I282 PolarHBondContact O-N 3.33Å; I282-R284 VanDerWaalsContact C-N 3.3Å; I282-R284 PolarHBondContact O-N 3.14Å; I282-D285 PolarHBondContact O-N 2.9Å |
| 283 | Q | 71.1 | Confident | 78.5 | Confident | 161 Ų | 161 | 83.2 Ų | 83.2 | 75% | 0.752 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.6 | -28.5 | 176.8 | -72 | 175.9 | 7.5 | 0 | 0 | 114 | E279 V281 | E279-Q283 WeakPolarHBondContact O-CG 3.35Å; E279-Q283 PolarHBondContact O-N 3.27Å; V281-Q283 VanDerWaalsContact C-N 3.29Å; V281-Q283 PolarHBondContact O-N 3.41Å |
| 284 | R | 73.4 | Confident | 78.8 | Confident | 146 Ų | 146 | 82.2 Ų | 82.2 | 55% | 0.551 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -86 | -12.5 | -178.8 | -74.8 | 177.4 | 178.5 | 171.2 | 2.3 | 113.6 | K280 V281 I282 T286 S324 | K280-R284 WeakPolarHBondContact O-CG 3.47Å; K280-R284 PolarHBondContact O-N 3.1Å; V281-R284 PolarHBondContact O-N 3.49Å; V281-R284 VanDerWaalsContact O-N 3.15Å; I282-R284 VanDerWaalsContact C-N 3.3Å; I282-R284 PolarHBondContact O-N 3.14Å; R284-T286 VanDerWaalsContact C-N 3.3Å; R284-T286 PolarHBondContact O-N 3.27Å; R284-S324 PolarHBondContact NH1-OG 3.45Å |
| 285 | D | 68.6 | Low | 78.8 | Confident | 108 Ų | 108 | 83.3 Ų | 83.3 | 58% | 0.578 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 46.7 | 177.4 | -160.8 | 32.9 | 0 | 0 | 0 | 113.4 | V281 I282 Q287 | V281-D285 PolarHBondContact O-N 2.93Å; I282-D285 PolarHBondContact O-N 2.9Å; D285-Q287 PolarHBondContact O-N 3.39Å; D285-Q287 VanDerWaalsContact O-N 3.12Å; D285-Q287 PolarHBondContact OD1-NE2 2.83Å |
| 286 | T | 73.4 | Confident | 78.9 | Confident | 57 Ų | 57 | 78.2 Ų | 78.2 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | trans | -75.4 | 102.7 | -179.8 | -46.2 | 0 | 0 | 0 | 0 | 110.2 | R284 | R284-T286 VanDerWaalsContact C-N 3.3Å; R284-T286 PolarHBondContact O-N 3.27Å | ||
| 287 | Q | 71 | Confident | 78.2 | Confident | 99 Ų | 99 | 75.8 Ų | 75.8 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | trans | -92.5 | -21 | -174.1 | -66.3 | -64.6 | -21.4 | 0 | 0 | 114.4 | D285 A295 L296 | D285-Q287 PolarHBondContact O-N 3.39Å; D285-Q287 VanDerWaalsContact O-N 3.12Å; D285-Q287 PolarHBondContact OD1-NE2 2.83Å; Q287-A295 CarbonylContact O-C 3.51Å; Q287-A295 VanDerWaalsContact O-CA 3.3Å; Q287-A295 WeakPolarHBondContact O-CA 3.48Å; Q287-L296 PolarHBondContact O-N 3.34Å | ||
| 288 | D | 83.9 | Confident | 77 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 47% | 0.465 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 146.4 | -175.3 | -66 | -46.8 | 0 | 0 | 0 | 112.9 | P290 A295 | D288-P290 VanDerWaalsContact O-CD 3.32Å; D288-P290 WeakPolarHBondContact O-CD 3.39Å; D288-A295 VanDerWaalsContact OD1-CA 3.28Å; D288-A295 WeakPolarHBondContact OD1-CA 3.42Å; D288-A295 PolarHBondContact OD1-N 3.28Å |
| 289 | C | 86 | Confident | 75.7 | Confident | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.007 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 121 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | I291 C292 L293 T294 L296 H328 | C289-I291 PolarHBondContact O-N 3.27Å; C289-I291 VanDerWaalsContact O-N 3.13Å; C289-C292 PolarHBondContact O-N 3.11Å; C289-L293 WeakPolarHBondContact O-CA 3.4Å; C289-L293 PolarHBondContact O-N 2.84Å; C289-T294 WeakPolarHBondContact CB-O 3.45Å; C289-T294 PolarHBondContact N-O 2.84Å; C289-L296 HydrophobicContact CB-CD2 3.79Å; C289-L296 HydrophobicContact CB-CG 4.21Å; C289-H328 WeakPolarHBondContact CB-ND1 3.48Å; C289-H328 PolarHBondContact SG-N 3.41Å; C289-H328 VanDerWaalsContact SG-N 3.44Å |
| 290 | P | 85.6 | Confident | 74 | Confident | 44 Ų | 44 | 85 Ų | 85 | 29% | 0.286 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16.1 | -176.2 | -18.7 | 28.6 | 0 | 0 | 0 | 115.5 | D288 L326 F327 L348 | D288-P290 VanDerWaalsContact O-CD 3.32Å; D288-P290 WeakPolarHBondContact O-CD 3.39Å; P290-L326 VanDerWaalsContact CD-O 3.3Å; P290-L326 WeakPolarHBondContact CD-O 3.37Å; P290-F327 HydrophobicContact CB-CE1 4Å; P290-F327 HydrophobicContact CG-CD1 4.29Å; P290-F327 HydrophobicContact CG-CE1 3.78Å; P290-F327 HydrophobicContact CG-CZ 4.46Å; P290-L348 HydrophobicContact CB-CD1 3.98Å; P290-L348 HydrophobicContact CB-CD2 3.8Å; P290-L348 HydrophobicContact CB-CG 4.06Å; P290-L348 HydrophobicContact CG-CD1 3.57Å; P290-L348 HydrophobicContact CG-CD2 4.34Å; P290-L348 HydrophobicContact CG-CG 4.17Å |
| 291 | I | 86.3 | Confident | 72 | Confident | 62 Ų | 62 | 87 Ų | 87 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -44.6 | -179.5 | -62.1 | 166.3 | 0 | 0 | 0 | 110.9 | C289 F327 C331 F335 P347 | C289-I291 PolarHBondContact O-N 3.27Å; C289-I291 VanDerWaalsContact O-N 3.13Å; I291-F327 HydrophobicContact CD1-CB 4.34Å; I291-F327 HydrophobicContact CD1-CD1 3.41Å; I291-F327 VanDerWaalsContact CD1-CD1 3.41Å; I291-F327 HydrophobicContact CD1-CE1 3.97Å; I291-F327 HydrophobicContact CD1-CG 4.05Å; I291-F327 HydrophobicContact CG1-CD1 3.59Å; I291-F327 HydrophobicContact CG1-CE1 3.82Å; I291-C331 HydrophobicContact CB-CB 3.98Å; I291-C331 HydrophobicContact CD1-CB 3.92Å; I291-C331 HydrophobicContact CG2-CB 3.94Å; I291-F335 HydrophobicContact CD1-CB 4.49Å; I291-P347 HydrophobicContact CD1-CG 4.03Å; I291-P347 HydrophobicContact CG1-CB 4.4Å; I291-P347 HydrophobicContact CG1-CG 4.26Å |
| 292 | C | 86.7 | Confident | 70.5 | Confident | 42 Ų | 42 | 95.9 Ų | 95.9 | 28% | 0.284 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -0.1 | -175.4 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | C289 T294 H328 | C289-C292 PolarHBondContact O-N 3.11Å; C292-T294 PolarHBondContact O-N 3.18Å; C292-T294 PolarHBondContact O-OG1 3.3Å; C292-T294 PolarHBondContact SG-OG1 2.82Å; C292-H328 PolarHBondContact SG-ND1 3.15Å |
| 293 | L | 84.6 | Confident | 68.6 | Low | 141 Ų | 141 | 95 Ų | 95 | 74% | 0.738 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 31.3 | 178.8 | -50.1 | 176.4 | 0 | 0 | 0 | 113.4 | C289 | C289-L293 WeakPolarHBondContact O-CA 3.4Å; C289-L293 PolarHBondContact O-N 2.84Å |
| 294 | T | 83.1 | Confident | 67.3 | Low | 44 Ų | 44 | 96.5 Ų | 96.5 | 27% | 0.27 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.7 | -177.5 | -41.8 | 0 | 0 | 0 | 0 | 110.6 | C289 C292 H328 | C289-T294 WeakPolarHBondContact CB-O 3.45Å; C289-T294 PolarHBondContact N-O 2.84Å; C292-T294 PolarHBondContact O-N 3.18Å; C292-T294 PolarHBondContact O-OG1 3.3Å; C292-T294 PolarHBondContact SG-OG1 2.82Å; T294-H328 PolarHBondContact O-CE1 3.34Å; T294-H328 VanDerWaalsContact O-CE1 3.27Å |
| 295 | A | 80.8 | Confident | 65.5 | Low | 55 Ų | 55 | 94 Ų | 94 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 137.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q287 D288 H328 | Q287-A295 CarbonylContact O-C 3.51Å; Q287-A295 VanDerWaalsContact O-CA 3.3Å; Q287-A295 WeakPolarHBondContact O-CA 3.48Å; D288-A295 VanDerWaalsContact OD1-CA 3.28Å; D288-A295 WeakPolarHBondContact OD1-CA 3.42Å; D288-A295 PolarHBondContact OD1-N 3.28Å; A295-H328 PolarHBondContact O-CE1 2.95Å; A295-H328 PolarHBondContact O-NE2 3.17Å |
| 296 | L | 78.2 | Confident | 64.4 | Low | 12 Ų | 12 | 92.9 Ų | 92.9 | 6% | 0.063 | 54% | 0.54 | C | S | . | . | trans | -85.1 | 123.9 | 172.7 | -65.6 | 163.3 | 0 | 0 | 0 | 108.3 | Q287 C289 S298 T318 L326 | Q287-L296 PolarHBondContact O-N 3.34Å; C289-L296 HydrophobicContact CB-CD2 3.79Å; C289-L296 HydrophobicContact CB-CG 4.21Å; L296-S298 PolarHBondContact O-N 3.24Å; L296-S298 VanDerWaalsContact O-N 3.13Å; L296-T318 HydrophobicContact CB-CG2 3.98Å; L296-T318 HydrophobicContact CD2-CG2 3.75Å; L296-T318 HydrophobicContact CG-CG2 4.47Å; L296-L326 HydrophobicContact CD1-CB 3.6Å; L296-L326 HydrophobicContact CD1-CD1 4.11Å | ||
| 297 | C | 64.8 | Low | 62.7 | Low | 65 Ų | 65 | 100.7 Ų | 100.7 | 44% | 0.439 | 56% | 0.563 | S | S | . | * | trans | -76.6 | 101.8 | 177.8 | -71.1 | 0 | 0 | 0 | 0 | 109.5 | A299 H313 | C297-A299 PolarHBondContact O-N 2.96Å; C297-H313 PolarHBondContact SG-O 3.17Å | ||
| 298 | S | 55.1 | Low | 61.4 | Low | 103 Ų | 103 | 103.1 Ų | 103.1 | 72% | 0.72 | 58% | 0.584 | S | S | * | * | trans | -78.1 | 113.7 | 172.8 | -163.1 | 0 | 0 | 0 | 0 | 109.9 | L296 R300 | L296-S298 PolarHBondContact O-N 3.24Å; L296-S298 VanDerWaalsContact O-N 3.13Å; S298-R300 PolarHBondContact O-N 3.46Å | ||
| 299 | A | 49.5 | Very low | 59.2 | Low | 84 Ų | 84 | 106.4 Ų | 106.4 | 69% | 0.694 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -76.9 | 69.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | C297 | C297-A299 PolarHBondContact O-N 2.96Š|
| 300 | R | 40.5 | Very low | 56.9 | Low | 226 Ų | 226 | 109.7 Ų | 109.7 | 85% | 0.853 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -171.7 | 86.5 | 160.1 | -109 | 165.9 | 173.7 | -159.3 | -2.7 | 112.4 | S298 | S298-R300 PolarHBondContact O-N 3.46Š|
| 301 | L | 37.3 | Very low | 54.8 | Low | 152 Ų | 152 | 112.9 Ų | 112.9 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | trans | 158.6 | 94.9 | 135.2 | -98.8 | 131.4 | 0 | 0 | 0 | 107.5 | T303 | L301-T303 WeakPolarHBondContact CD2-OG1 3.42Å; L301-T303 PolarHBondContact O-N 2.7Å; L301-T303 VanDerWaalsContact O-N 3.17Å | ||
| 302 | E | 46.6 | Very low | 52.8 | Low | 201 Ų | 201 | 117.7 Ų | 117.7 | 94% | 0.939 | 67% | 0.67 | S | S | * | * | trans | -63.4 | 107.1 | 150.9 | -68.8 | -168.3 | 159.5 | 0 | 0 | 106.9 | ||||
| 303 | T | 34.9 | Very low | 51.1 | Low | 104 Ų | 104 | 120.4 Ų | 120.4 | 64% | 0.638 | 68% | 0.678 | S | S | * | * | trans | -150.7 | 107.5 | 152.7 | -30.4 | 0 | 0 | 0 | 0 | 109.5 | L301 A305 | L301-T303 WeakPolarHBondContact CD2-OG1 3.42Å; L301-T303 PolarHBondContact O-N 2.7Å; L301-T303 VanDerWaalsContact O-N 3.17Å; T303-A305 PolarHBondContact O-N 2.79Å | ||
| 304 | E | 43.8 | Very low | 49.6 | Very low | 193 Ų | 193 | 118.8 Ų | 118.8 | 90% | 0.902 | 68% | 0.679 | S | S | * | * | trans | 18.5 | 95.7 | 151.6 | -55.7 | -167.3 | 164.4 | 0 | 0 | 118.3 | ||||
| 305 | A | 34.6 | Very low | 48.3 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | trans | -160.4 | 116 | 141.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | T303 R307 | T303-A305 PolarHBondContact O-N 2.79Å; A305-R307 PolarHBondContact O-N 3.12Å | ||
| 306 | G | 46.4 | Very low | 47.6 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | trans | -56.9 | 119.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 307 | R | 37.3 | Very low | 47.7 | Very low | 221 Ų | 221 | 132.8 Ų | 132.8 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | trans | -139.9 | 119.2 | 150.5 | -71.7 | -169.2 | -179.5 | -172.8 | 0.4 | 108.6 | A305 L309 | A305-R307 PolarHBondContact O-N 3.12Å; R307-L309 PolarHBondContact O-N 3.44Å | ||
| 308 | T | 44.1 | Very low | 48.7 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 92% | 0.92 | 71% | 0.707 | S | S | * | * | trans | -60.6 | 103.2 | 169.3 | 44.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 309 | L | 37.8 | Very low | 50.2 | Low | 156 Ų | 156 | 125.7 Ų | 125.7 | 82% | 0.817 | 68% | 0.675 | S | S | * | * | trans | -119.8 | 134.7 | 164.4 | -78 | 161.1 | 0 | 0 | 0 | 108.4 | R307 | R307-L309 PolarHBondContact O-N 3.44Š| ||
| 310 | A | 36.8 | Very low | 52 | Low | 70 Ų | 70 | 121.8 Ų | 121.8 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | trans | -50.7 | 152.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H312 | A310-H312 PolarHBondContact O-N 3.4Š| ||
| 311 | P | 41.1 | Very low | 54.3 | Low | 111 Ų | 111 | 111 Ų | 111 | 72% | 0.721 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 27.5 | -160.5 | 35.4 | -38.5 | 0 | 0 | 0 | 115.5 | ||
| 312 | H | 45 | Very low | 56.4 | Low | 163 Ų | 163 | 105.2 Ų | 105.2 | 76% | 0.755 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 2 | -175.8 | -75.7 | -62.3 | 0 | 0 | 0 | 115.6 | A310 | A310-H312 PolarHBondContact O-N 3.4Š|
| 313 | H | 50.2 | Low | 58.2 | Low | 99 Ų | 99 | 96.6 Ų | 96.6 | 46% | 0.458 | 54% | 0.536 | S | S | . | . | trans | -99.4 | 1.6 | -176.8 | -74.5 | -75.4 | 0 | 0 | 0 | 115.3 | C297 N315 | C297-H313 PolarHBondContact SG-O 3.17Å; H313-N315 PolarHBondContact O-N 3.07Å | ||
| 314 | S | 53 | Low | 60.6 | Low | 107 Ų | 107 | 92.5 Ų | 92.5 | 75% | 0.748 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 14.5 | -168 | 50.5 | 0 | 0 | 0 | 0 | 116.5 | ||
| 315 | N | 56.3 | Low | 62.6 | Low | 142 Ų | 142 | 85.4 Ų | 85.4 | 76% | 0.759 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.5 | 32.7 | -179.4 | -142.4 | -1.5 | 0 | 0 | 0 | 117.1 | H313 | H313-N315 PolarHBondContact O-N 3.07Š|
| 316 | R | 67.6 | Low | 65.1 | Low | 105 Ų | 105 | 82 Ų | 82 | 40% | 0.396 | 45% | 0.446 | S | S | . | . | trans | -93.7 | 102 | 171 | -67.3 | -172.4 | -175 | -174.4 | 2.5 | 109.5 | ||||
| 317 | R | 79.1 | Confident | 67.1 | Low | 158 Ų | 158 | 78 Ų | 78 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | trans | -57.3 | 139.1 | 176.1 | -65.9 | -178.8 | -178.9 | -178.8 | -1 | 110.8 | Q329 L357 | R317-Q329 HydrophobicContact CB-CB 4.32Å; R317-Q329 WeakPolarHBondContact O-CB 3.46Å; R317-Q329 PolarHBondContact O-N 2.85Å; R317-L357 HydrophobicContact CB-CD2 4.3Å | ||
| 318 | T | 85.1 | Confident | 69.6 | Low | 13 Ų | 13 | 67.6 Ų | 67.6 | 8% | 0.08 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 142 | 177.1 | 41.1 | 0 | 0 | 0 | 0 | 110.6 | L296 V358 | L296-T318 HydrophobicContact CB-CG2 3.98Å; L296-T318 HydrophobicContact CD2-CG2 3.75Å; L296-T318 HydrophobicContact CG-CG2 4.47Å; T318-V358 PolarHBondContact O-N 3.47Å; T318-V358 PolarHBondContact OG1-O 3.49Å |
| 319 | V | 87.1 | Confident | 71.6 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.8 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 108.2 | L321 L326 F327 Q329 L332 K355 I356 L357 | V319-L321 HydrophobicContact CG1-CD2 4.02Å; V319-L326 WeakPolarHBondContact O-CA 3.38Å; V319-F327 PolarHBondContact N-O 3.42Å; V319-F327 PolarHBondContact O-N 2.88Å; V319-Q329 HydrophobicContact CG2-CB 3.62Å; V319-Q329 HydrophobicContact CG2-CG 3.98Å; V319-L332 HydrophobicContact CB-CD2 4.45Å; V319-L332 HydrophobicContact CG1-CD2 3.89Å; V319-K355 HydrophobicContact CG1-CB 3.63Å; V319-K355 HydrophobicContact CG1-CD 4.26Å; V319-K355 HydrophobicContact CG1-CG 4.36Å; V319-I356 WeakPolarHBondContact CA-O 3.42Å; V319-L357 HydrophobicContact CG2-CD2 3.59Å |
| 320 | L | 87.1 | Confident | 74 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.3 | 173.2 | 176.6 | 58 | 0 | 0 | 0 | 110.3 | W274 I277 Q278 V281 L326 K355 I356 V358 | W274-L320 HydrophobicContact CZ3-CG 4.34Å; I277-L320 HydrophobicContact CG2-CD1 4.11Å; I277-L320 HydrophobicContact CG2-CD2 4.05Å; I277-L320 HydrophobicContact CG2-CG 4.24Å; Q278-L320 HydrophobicContact CB-CD2 4.37Å; V281-L320 HydrophobicContact CG2-CD1 3.7Å; L320-L326 HydrophobicContact CB-CD2 3.76Å; L320-L326 HydrophobicContact CD1-CD2 3.76Å; L320-L326 HydrophobicContact CD1-CG 4.31Å; L320-L326 HydrophobicContact CG-CD2 4.31Å; L320-K355 WeakPolarHBondContact O-CA 3.44Å; L320-I356 HydrophobicContact CB-CG1 3.99Å; L320-I356 HydrophobicContact CD2-CD1 4.32Å; L320-I356 HydrophobicContact CG-CG1 4.47Å; L320-I356 PolarHBondContact N-O 3.45Å; L320-I356 PolarHBondContact O-N 3.07Å; L320-V358 HydrophobicContact CB-CG2 3.5Å; L320-V358 VanDerWaalsContact CB-CG2 3.5Å; L320-V358 HydrophobicContact CD2-CG2 4.13Å; L320-V358 HydrophobicContact CG-CG2 4.48Å |
| 321 | L | 88.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 151.2 | 174.6 | -55.4 | -165.8 | 0 | 0 | 0 | 111.4 | V319 C323 S324 H325 F327 L332 C346 Y353 H354 K355 | V319-L321 HydrophobicContact CG1-CD2 4.02Å; L321-C323 VanDerWaalsContact CB-SG 3.51Å; L321-C323 PolarHBondContact O-N 3.33Å; L321-S324 PolarHBondContact O-N 2.99Å; L321-H325 PolarHBondContact N-O 2.94Å; L321-F327 HydrophobicContact CD1-CD2 3.8Å; L321-F327 HydrophobicContact CD1-CE2 3.47Å; L321-F327 VanDerWaalsContact CD1-CE2 3.47Å; L321-F327 HydrophobicContact CG-CD2 3.98Å; L321-F327 HydrophobicContact CG-CE2 4.01Å; L321-L332 HydrophobicContact CD1-CD1 4.3Å; L321-L332 HydrophobicContact CD2-CD2 3.68Å; L321-C346 HydrophobicContact CD1-CB 4.06Å; L321-Y353 HydrophobicContact CB-CD2 4.37Å; L321-Y353 HydrophobicContact CB-CG 4.3Å; L321-Y353 HydrophobicContact CD1-CD1 3.82Å; L321-Y353 HydrophobicContact CD1-CD2 3.88Å; L321-Y353 HydrophobicContact CD1-CE1 4Å; L321-Y353 HydrophobicContact CD1-CE2 4.05Å; L321-Y353 HydrophobicContact CD1-CG 3.73Å; L321-Y353 HydrophobicContact CD2-CD2 3.4Å; L321-Y353 HydrophobicContact CD2-CE2 3.53Å; L321-Y353 HydrophobicContact CD2-CG 4.07Å; L321-Y353 HydrophobicContact CG-CD2 4.09Å; L321-Y353 HydrophobicContact CG-CE2 4.41Å; L321-Y353 HydrophobicContact CG-CG 4.26Å; L321-H354 CarbonylContact C-O 3.57Å; L321-H354 VanDerWaalsContact CA-O 3.3Å; L321-H354 WeakPolarHBondContact CA-O 3.43Å; L321-K355 HydrophobicContact CD2-CB 3.61Å |
| 322 | S | 83.3 | Confident | 78.8 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18 | 175.9 | 62.5 | 0 | 0 | 0 | 0 | 113.5 | S324 Y353 H354 | S322-S324 VanDerWaalsContact C-N 3.25Å; S322-S324 PolarHBondContact O-N 3.24Å; S322-Y353 WeakPolarHBondContact OG-CA 3.4Å; S322-H354 PolarHBondContact N-O 2.96Å; S322-H354 PolarHBondContact OG-N 3.47Å |
| 323 | C | 83.8 | Confident | 80.8 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 14% | 0.142 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 14.7 | 172.2 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | L321 H325 C349 S351 | L321-C323 VanDerWaalsContact CB-SG 3.51Å; L321-C323 PolarHBondContact O-N 3.33Å; C323-H325 VanDerWaalsContact C-N 3.35Å; C323-H325 PolarHBondContact O-CE1 3.13Å; C323-H325 PolarHBondContact O-N 2.71Å; C323-H325 PolarHBondContact O-ND1 3.25Å; C323-H325 VanDerWaalsContact O-ND1 3.15Å; C323-H325 PolarHBondContact SG-ND1 3.36Å; C323-C349 VanDerWaalsContact SG-SG 3.61Å; C323-S351 VanDerWaalsContact CB-OG 3.31Å; C323-S351 WeakPolarHBondContact CB-OG 3.29Å |
| 324 | S | 84.3 | Confident | 82.6 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 63.8 | 28.9 | 179.9 | 65.7 | 0 | 0 | 0 | 0 | 115.6 | V281 R284 L321 S322 | V281-S324 WeakPolarHBondContact CG2-O 3.47Å; R284-S324 PolarHBondContact NH1-OG 3.45Å; L321-S324 PolarHBondContact O-N 2.99Å; S322-S324 VanDerWaalsContact C-N 3.25Å; S322-S324 PolarHBondContact O-N 3.24Å |
| 325 | H | 86.8 | Confident | 84.3 | Confident | 43 Ų | 43 | 42.6 Ų | 42.6 | 20% | 0.199 | 22% | 0.216 | C | C | . | . | trans | -112.5 | 142 | 176.8 | -64.2 | 108.4 | 0 | 0 | 0 | 111.3 | L321 C323 F327 L348 C349 | L321-H325 PolarHBondContact N-O 2.94Å; C323-H325 VanDerWaalsContact C-N 3.35Å; C323-H325 PolarHBondContact O-CE1 3.13Å; C323-H325 PolarHBondContact O-N 2.71Å; C323-H325 PolarHBondContact O-ND1 3.25Å; C323-H325 VanDerWaalsContact O-ND1 3.15Å; C323-H325 PolarHBondContact SG-ND1 3.36Å; H325-F327 HydrophobicContact CB-CE2 3.61Å; H325-F327 HydrophobicContact CB-CZ 4.02Å; H325-L348 HydrophobicContact CB-CD1 4.33Å; H325-L348 WeakPolarHBondContact CD2-CD1 3.11Å; H325-C349 PolarHBondContact CE1-SG 3.32Å; H325-C349 PolarHBondContact ND1-SG 3.43Å; H325-C349 VanDerWaalsContact ND1-SG 3.43Å | ||
| 326 | L | 87.5 | Confident | 85.8 | Confident | 24 Ų | 24 | 37.9 Ų | 37.9 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.4 | -179.5 | -71.5 | 176.7 | 0 | 0 | 0 | 111.8 | V281 P290 L296 V319 L320 | V281-L326 HydrophobicContact CG1-CD1 3.31Å; V281-L326 HydrophobicContact CG1-CD2 4.33Å; V281-L326 HydrophobicContact CG1-CG 3.7Å; P290-L326 VanDerWaalsContact CD-O 3.3Å; P290-L326 WeakPolarHBondContact CD-O 3.37Å; L296-L326 HydrophobicContact CD1-CB 3.6Å; L296-L326 HydrophobicContact CD1-CD1 4.11Å; V319-L326 WeakPolarHBondContact O-CA 3.38Å; L320-L326 HydrophobicContact CB-CD2 3.76Å; L320-L326 HydrophobicContact CD1-CD2 3.76Å; L320-L326 HydrophobicContact CD1-CG 4.31Å; L320-L326 HydrophobicContact CG-CD2 4.31Å |
| 327 | F | 88.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 158.9 | 174.9 | -57.8 | -83.2 | 0 | 0 | 0 | 110.8 | P290 I291 V319 L321 H325 L332 P347 L348 | P290-F327 HydrophobicContact CB-CE1 4Å; P290-F327 HydrophobicContact CG-CD1 4.29Å; P290-F327 HydrophobicContact CG-CE1 3.78Å; P290-F327 HydrophobicContact CG-CZ 4.46Å; I291-F327 HydrophobicContact CD1-CB 4.34Å; I291-F327 HydrophobicContact CD1-CD1 3.41Å; I291-F327 VanDerWaalsContact CD1-CD1 3.41Å; I291-F327 HydrophobicContact CD1-CE1 3.97Å; I291-F327 HydrophobicContact CD1-CG 4.05Å; I291-F327 HydrophobicContact CG1-CD1 3.59Å; I291-F327 HydrophobicContact CG1-CE1 3.82Å; V319-F327 PolarHBondContact N-O 3.42Å; V319-F327 PolarHBondContact O-N 2.88Å; L321-F327 HydrophobicContact CD1-CD2 3.8Å; L321-F327 HydrophobicContact CD1-CE2 3.47Å; L321-F327 VanDerWaalsContact CD1-CE2 3.47Å; L321-F327 HydrophobicContact CG-CD2 3.98Å; L321-F327 HydrophobicContact CG-CE2 4.01Å; H325-F327 HydrophobicContact CB-CE2 3.61Å; H325-F327 HydrophobicContact CB-CZ 4.02Å; F327-L332 HydrophobicContact CB-CB 4.19Å; F327-L332 HydrophobicContact CD2-CD1 4.11Å; F327-L332 HydrophobicContact CG-CD1 4.31Å; F327-P347 HydrophobicContact CE1-CB 4.32Å; F327-P347 HydrophobicContact CE1-CG 4.2Å; F327-P347 HydrophobicContact CZ-CB 4.37Å; F327-P347 HydrophobicContact CZ-CG 4.18Å; F327-L348 HydrophobicContact CE1-CD1 4.49Å; F327-L348 HydrophobicContact CE1-CG 4.35Å; F327-L348 HydrophobicContact CZ-CD1 4.1Å; F327-L348 HydrophobicContact CZ-CG 4.01Å |
| 328 | H | 88.9 | Confident | 86.7 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 137.1 | 161.1 | -61 | 125.3 | 0 | 0 | 0 | 108.9 | C289 C292 T294 A295 P330 C331 L332 | C289-H328 WeakPolarHBondContact CB-ND1 3.48Å; C289-H328 PolarHBondContact SG-N 3.41Å; C289-H328 VanDerWaalsContact SG-N 3.44Å; C292-H328 PolarHBondContact SG-ND1 3.15Å; T294-H328 PolarHBondContact O-CE1 3.34Å; T294-H328 VanDerWaalsContact O-CE1 3.27Å; A295-H328 PolarHBondContact O-CE1 2.95Å; A295-H328 PolarHBondContact O-NE2 3.17Å; H328-P330 HydrophobicContact CB-CG 4.16Å; H328-C331 HydrophobicContact CB-CB 4.17Å; H328-C331 PolarHBondContact O-N 2.87Å; H328-L332 PolarHBondContact O-N 3.48Å |
| 329 | Q | 87.4 | Confident | 86.4 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 23% | 0.229 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -45.8 | -53.8 | 173.5 | -175.4 | 178.6 | -9 | 0 | 0 | 113.2 | R317 V319 C331 L332 E333 L357 | R317-Q329 HydrophobicContact CB-CB 4.32Å; R317-Q329 WeakPolarHBondContact O-CB 3.46Å; R317-Q329 PolarHBondContact O-N 2.85Å; V319-Q329 HydrophobicContact CG2-CB 3.62Å; V319-Q329 HydrophobicContact CG2-CG 3.98Å; Q329-C331 VanDerWaalsContact C-N 3.29Å; Q329-C331 PolarHBondContact O-N 3.36Å; Q329-L332 PolarHBondContact O-N 3.5Å; Q329-E333 HydrophobicContact CG-CG 4.39Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.19Å; Q329-E333 PolarHBondContact NE2-OE1 3.41Å; Q329-E333 WeakPolarHBondContact O-CG 3.24Å; Q329-E333 PolarHBondContact O-N 2.73Å; Q329-L357 HydrophobicContact CB-CD2 4.5Å; Q329-L357 HydrophobicContact CG-CD2 4.38Å |
| 330 | P | 87.8 | Confident | 85.3 | Confident | 61 Ų | 61 | 45.3 Ų | 45.3 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.7 | -30 | -178.9 | 24.3 | -36.5 | 0 | 0 | 0 | 113.8 | H328 A334 | H328-P330 HydrophobicContact CB-CG 4.16Å; P330-A334 VanDerWaalsContact O-CB 3.31Å; P330-A334 WeakPolarHBondContact O-CB 3.34Å; P330-A334 PolarHBondContact O-N 3.12Å |
| 331 | C | 88.4 | Confident | 83.9 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 11% | 0.108 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.5 | -40.3 | 178.7 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | I291 H328 Q329 F335 | I291-C331 HydrophobicContact CB-CB 3.98Å; I291-C331 HydrophobicContact CD1-CB 3.92Å; I291-C331 HydrophobicContact CG2-CB 3.94Å; H328-C331 HydrophobicContact CB-CB 4.17Å; H328-C331 PolarHBondContact O-N 2.87Å; Q329-C331 VanDerWaalsContact C-N 3.29Å; Q329-C331 PolarHBondContact O-N 3.36Å; C331-F335 PolarHBondContact O-N 2.87Å; C331-F335 VanDerWaalsContact O-N 3.13Å |
| 332 | L | 88.9 | Confident | 82.9 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 176.2 | -171.1 | 71.7 | 0 | 0 | 0 | 111.2 | V319 L321 F327 H328 Q329 A334 F335 E336 P347 Y353 K355 | V319-L332 HydrophobicContact CB-CD2 4.45Å; V319-L332 HydrophobicContact CG1-CD2 3.89Å; L321-L332 HydrophobicContact CD1-CD1 4.3Å; L321-L332 HydrophobicContact CD2-CD2 3.68Å; F327-L332 HydrophobicContact CB-CB 4.19Å; F327-L332 HydrophobicContact CD2-CD1 4.11Å; F327-L332 HydrophobicContact CG-CD1 4.31Å; H328-L332 PolarHBondContact O-N 3.48Å; Q329-L332 PolarHBondContact O-N 3.5Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.39Å; L332-F335 WeakPolarHBondContact O-CB 3.21Å; L332-F335 PolarHBondContact O-N 3.4Å; L332-F335 VanDerWaalsContact O-N 3.15Å; L332-E336 WeakPolarHBondContact O-CG 3.43Å; L332-E336 PolarHBondContact O-N 2.94Å; L332-P347 HydrophobicContact CD1-CG 4.36Å; L332-Y353 WeakPolarHBondContact CD1-OH 3.3Å; L332-Y353 HydrophobicContact CD2-CE2 4.17Å; L332-K355 HydrophobicContact CD2-CD 4Å |
| 333 | E | 88 | Confident | 82.4 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 40% | 0.397 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 176.8 | -73.2 | 171.1 | 177.7 | 0 | 0 | 112.1 | Q329 F335 E336 A337 | Q329-E333 HydrophobicContact CG-CG 4.39Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.19Å; Q329-E333 PolarHBondContact NE2-OE1 3.41Å; Q329-E333 WeakPolarHBondContact O-CG 3.24Å; Q329-E333 PolarHBondContact O-N 2.73Å; E333-F335 VanDerWaalsContact C-N 3.32Å; E333-F335 PolarHBondContact O-N 2.93Å; E333-E336 PolarHBondContact O-N 3.2Å; E333-A337 PolarHBondContact O-N 3.47Å |
| 334 | A | 87.9 | Confident | 82.2 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P330 L332 A337 F338 | P330-A334 VanDerWaalsContact O-CB 3.31Å; P330-A334 WeakPolarHBondContact O-CB 3.34Å; P330-A334 PolarHBondContact O-N 3.12Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.39Å; A334-A337 PolarHBondContact O-N 2.87Å; A334-F338 WeakPolarHBondContact O-CD2 3.42Å |
| 335 | F | 87.9 | Confident | 82.2 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 30% | 0.303 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 175.6 | -179.1 | -91.3 | 0 | 0 | 0 | 112 | I291 C331 L332 E333 A337 F338 T345 P347 | I291-F335 HydrophobicContact CD1-CB 4.49Å; C331-F335 PolarHBondContact O-N 2.87Å; C331-F335 VanDerWaalsContact O-N 3.13Å; L332-F335 WeakPolarHBondContact O-CB 3.21Å; L332-F335 PolarHBondContact O-N 3.4Å; L332-F335 VanDerWaalsContact O-N 3.15Å; E333-F335 VanDerWaalsContact C-N 3.32Å; E333-F335 PolarHBondContact O-N 2.93Å; F335-A337 VanDerWaalsContact C-N 3.25Å; F335-A337 PolarHBondContact O-N 2.98Å; F335-F338 PolarHBondContact O-N 2.89Å; F335-F338 VanDerWaalsContact O-N 3.16Å; F335-T345 WeakPolarHBondContact CE1-O 3.36Å; F335-P347 HydrophobicContact CD1-CG 3.78Å; F335-P347 HydrophobicContact CD2-CB 4.48Å; F335-P347 HydrophobicContact CD2-CG 4.13Å; F335-P347 HydrophobicContact CE1-CB 4.49Å; F335-P347 HydrophobicContact CE1-CG 3.82Å; F335-P347 HydrophobicContact CE2-CB 4.2Å; F335-P347 HydrophobicContact CE2-CG 4.16Å; F335-P347 HydrophobicContact CG-CG 3.94Å; F335-P347 HydrophobicContact CZ-CB 4.2Å; F335-P347 HydrophobicContact CZ-CG 4.01Å |
| 336 | E | 87.9 | Confident | 82.2 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 20% | 0.201 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.6 | -36.5 | 175.8 | -70.3 | 175.8 | 169.1 | 0 | 0 | 111.7 | L332 E333 F338 C339 P344 Y353 K355 | L332-E336 WeakPolarHBondContact O-CG 3.43Å; L332-E336 PolarHBondContact O-N 2.94Å; E333-E336 PolarHBondContact O-N 3.2Å; E336-F338 VanDerWaalsContact C-N 3.25Å; E336-F338 PolarHBondContact O-N 3.31Å; E336-C339 WeakPolarHBondContact O-CB 3.42Å; E336-C339 PolarHBondContact O-N 3.01Å; E336-P344 HydrophobicContact CB-CB 4.39Å; E336-P344 HydrophobicContact CG-CB 3.7Å; E336-P344 HydrophobicContact CG-CG 3.99Å; E336-Y353 WeakPolarHBondContact CG-OH 3.42Å; E336-Y353 PolarHBondContact OE1-OH 2.73Å; E336-K355 IonicContact OE1-NZ 3.97Å; E336-K355 PolarHBondContact OE1-NZ 2.83Å; E336-K355 IonicContact OE2-NZ 3Å; E336-K355 PolarHBondContact OE2-NZ 3.04Å |
| 337 | A | 85.3 | Confident | 82.1 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 66% | 0.661 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.4 | -23.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E333 A334 F335 | E333-A337 PolarHBondContact O-N 3.47Å; A334-A337 PolarHBondContact O-N 2.87Å; F335-A337 VanDerWaalsContact C-N 3.25Å; F335-A337 PolarHBondContact O-N 2.98Å |
| 338 | F | 81.3 | Confident | 81.9 | Confident | 174 Ų | 174 | 66.9 Ų | 66.9 | 76% | 0.763 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -8.9 | 174.2 | -70.9 | -73.9 | 0 | 0 | 0 | 113.2 | A334 F335 E336 V340 | A334-F338 WeakPolarHBondContact O-CD2 3.42Å; F335-F338 PolarHBondContact O-N 2.89Å; F335-F338 VanDerWaalsContact O-N 3.16Å; E336-F338 VanDerWaalsContact C-N 3.25Å; E336-F338 PolarHBondContact O-N 3.31Å; F338-V340 PolarHBondContact O-N 3.29Å |
| 339 | C | 78.6 | Confident | 81.5 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 34% | 0.338 | 39% | 0.393 | S | S | . | . | trans | -83.3 | 87.6 | 174.4 | -66.4 | 0 | 0 | 0 | 0 | 110.3 | E336 | E336-C339 WeakPolarHBondContact O-CB 3.42Å; E336-C339 PolarHBondContact O-N 3.01Å | ||
| 340 | V | 63.5 | Low | 81.3 | Confident | 132 Ų | 132 | 76.6 Ų | 76.6 | 80% | 0.8 | 42% | 0.418 | S | S | * | . | trans | -72.3 | -28.5 | -176.5 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | F338 | F338-V340 PolarHBondContact O-N 3.29Š| ||
| 341 | E | 58.7 | Low | 80.9 | Confident | 188 Ų | 188 | 75.5 Ų | 75.5 | 88% | 0.879 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -137.9 | 113.2 | 179.6 | -62.1 | -166.3 | 172.2 | 0 | 0 | 111.2 | ||
| 342 | G | 66.8 | Low | 80.4 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 67% | 0.67 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 120 | 171.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 343 | R | 71.7 | Confident | 80.2 | Confident | 128 Ų | 128 | 77 Ų | 77 | 48% | 0.483 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -73.1 | 134.9 | 172.5 | -175.8 | 178.1 | 177.4 | 162.6 | 1 | 108.5 | T345 Y353 H354 | R343-T345 PolarHBondContact O-N 3.42Å; R343-Y353 PolarHBondContact NH2-O 2.83Å; R343-H354 PolarHBondContact NH2-CD2 3.42Å; R343-H354 PolarHBondContact NH2-CE1 3.17Å; R343-H354 VanDerWaalsContact NH2-CE1 3.32Å; R343-H354 PolarHBondContact NH2-NE2 2.93Å |
| 344 | P | 79.2 | Confident | 79.9 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 23% | 0.234 | 41% | 0.409 | C | S | . | . | trans | -62.6 | 136 | 179.9 | 25.4 | -34.4 | 0 | 0 | 0 | 111.2 | E336 Y353 | E336-P344 HydrophobicContact CB-CB 4.39Å; E336-P344 HydrophobicContact CG-CB 3.7Å; E336-P344 HydrophobicContact CG-CG 3.99Å; P344-Y353 HydrophobicContact CB-CE1 4.37Å; P344-Y353 WeakPolarHBondContact O-CE1 3.33Å | ||
| 345 | T | 85.9 | Confident | 79.8 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 28% | 0.276 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -107.1 | 153.5 | 177.3 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | F335 R343 R350 Y353 | F335-T345 WeakPolarHBondContact CE1-O 3.36Å; R343-T345 PolarHBondContact O-N 3.42Å; T345-R350 WeakPolarHBondContact CB-O 3.36Å; T345-R350 WeakPolarHBondContact CG2-O 3.3Å; T345-Y353 WeakPolarHBondContact O-CE1 3.25Å |
| 346 | C | 86.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.407 | C | S | . | . | trans | -62.8 | 130.3 | -175.5 | 174.2 | 0 | 0 | 0 | 0 | 109.7 | L321 L348 C349 R350 S351 Y353 | L321-C346 HydrophobicContact CD1-CB 4.06Å; C346-L348 PolarHBondContact O-N 2.73Å; C346-C349 WeakPolarHBondContact CB-SG 3.48Å; C346-R350 WeakPolarHBondContact O-CA 3.45Å; C346-R350 PolarHBondContact O-N 3.2Å; C346-S351 PolarHBondContact N-O 3.49Å; C346-Y353 HydrophobicContact CB-CD1 3.96Å; C346-Y353 HydrophobicContact CB-CE1 4.45Å; C346-Y353 VanDerWaalsContact N-CD1 3.32Å | ||
| 347 | P | 85.4 | Confident | 79.4 | Confident | 38 Ų | 38 | 78.7 Ų | 78.7 | 25% | 0.247 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.2 | -179.8 | -26.5 | 33.4 | 0 | 0 | 0 | 114.4 | I291 F327 L332 F335 | I291-P347 HydrophobicContact CD1-CG 4.03Å; I291-P347 HydrophobicContact CG1-CB 4.4Å; I291-P347 HydrophobicContact CG1-CG 4.26Å; F327-P347 HydrophobicContact CE1-CB 4.32Å; F327-P347 HydrophobicContact CE1-CG 4.2Å; F327-P347 HydrophobicContact CZ-CB 4.37Å; F327-P347 HydrophobicContact CZ-CG 4.18Å; L332-P347 HydrophobicContact CD1-CG 4.36Å; F335-P347 HydrophobicContact CD1-CG 3.78Å; F335-P347 HydrophobicContact CD2-CB 4.48Å; F335-P347 HydrophobicContact CD2-CG 4.13Å; F335-P347 HydrophobicContact CE1-CB 4.49Å; F335-P347 HydrophobicContact CE1-CG 3.82Å; F335-P347 HydrophobicContact CE2-CB 4.2Å; F335-P347 HydrophobicContact CE2-CG 4.16Å; F335-P347 HydrophobicContact CG-CG 3.94Å; F335-P347 HydrophobicContact CZ-CB 4.2Å; F335-P347 HydrophobicContact CZ-CG 4.01Å |
| 348 | L | 83.6 | Confident | 78.6 | Confident | 91 Ų | 91 | 78.8 Ų | 78.8 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -56 | -178 | -73.5 | -179 | 0 | 0 | 0 | 113.2 | P290 H325 F327 C346 | P290-L348 HydrophobicContact CB-CD1 3.98Å; P290-L348 HydrophobicContact CB-CD2 3.8Å; P290-L348 HydrophobicContact CB-CG 4.06Å; P290-L348 HydrophobicContact CG-CD1 3.57Å; P290-L348 HydrophobicContact CG-CD2 4.34Å; P290-L348 HydrophobicContact CG-CG 4.17Å; H325-L348 HydrophobicContact CB-CD1 4.33Å; H325-L348 WeakPolarHBondContact CD2-CD1 3.11Å; F327-L348 HydrophobicContact CE1-CD1 4.49Å; F327-L348 HydrophobicContact CE1-CG 4.35Å; F327-L348 HydrophobicContact CZ-CD1 4.1Å; F327-L348 HydrophobicContact CZ-CG 4.01Å; C346-L348 PolarHBondContact O-N 2.73Å |
| 349 | C | 81.8 | Confident | 78.5 | Confident | 56 Ų | 56 | 74 Ų | 74 | 38% | 0.378 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -1.7 | -172.3 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | C323 H325 C346 S351 | C323-C349 VanDerWaalsContact SG-SG 3.61Å; H325-C349 PolarHBondContact CE1-SG 3.32Å; H325-C349 PolarHBondContact ND1-SG 3.43Å; H325-C349 VanDerWaalsContact ND1-SG 3.43Å; C346-C349 WeakPolarHBondContact CB-SG 3.48Å; C349-S351 PolarHBondContact O-N 3.25Å; C349-S351 PolarHBondContact SG-OG 3.34Å |
| 350 | R | 82.1 | Confident | 78.5 | Confident | 201 Ų | 201 | 75.3 Ų | 75.3 | 76% | 0.758 | 40% | 0.401 | S | S | * | . | trans | 55.1 | 11.9 | -178.1 | -56.8 | -178.3 | 178.7 | -177.3 | -1 | 114.6 | T345 C346 | T345-R350 WeakPolarHBondContact CB-O 3.36Å; T345-R350 WeakPolarHBondContact CG2-O 3.3Å; C346-R350 WeakPolarHBondContact O-CA 3.45Å; C346-R350 PolarHBondContact O-N 3.2Å | ||
| 351 | S | 79.7 | Confident | 79.3 | Confident | 38 Ų | 38 | 72.1 Ų | 72.1 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | trans | -77.4 | 147.1 | 175.9 | 68.4 | 0 | 0 | 0 | 0 | 110 | C323 C346 C349 | C323-S351 VanDerWaalsContact CB-OG 3.31Å; C323-S351 WeakPolarHBondContact CB-OG 3.29Å; C346-S351 PolarHBondContact N-O 3.49Å; C349-S351 PolarHBondContact O-N 3.25Å; C349-S351 PolarHBondContact SG-OG 3.34Å | ||
| 352 | P | 78.9 | Confident | 80.6 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 24% | 0.24 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -58.6 | 148.2 | 165.2 | 27.3 | -34.9 | 0 | 0 | 0 | 109.7 | V266 | V266-P352 HydrophobicContact CG1-CB 4.43Å; V266-P352 HydrophobicContact CG2-CB 3.59Å; V266-P352 HydrophobicContact CG2-CG 3.24Å |
| 353 | Y | 83.1 | Confident | 81.4 | Confident | 10 Ų | 10 | 65.3 Ų | 65.3 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | trans | -140.3 | 159.8 | -177.1 | 62.9 | -95.5 | 0 | 0 | 0 | 113.3 | L321 S322 L332 E336 R343 P344 T345 C346 K355 | L321-Y353 HydrophobicContact CB-CD2 4.37Å; L321-Y353 HydrophobicContact CB-CG 4.3Å; L321-Y353 HydrophobicContact CD1-CD1 3.82Å; L321-Y353 HydrophobicContact CD1-CD2 3.88Å; L321-Y353 HydrophobicContact CD1-CE1 4Å; L321-Y353 HydrophobicContact CD1-CE2 4.05Å; L321-Y353 HydrophobicContact CD1-CG 3.73Å; L321-Y353 HydrophobicContact CD2-CD2 3.4Å; L321-Y353 HydrophobicContact CD2-CE2 3.53Å; L321-Y353 HydrophobicContact CD2-CG 4.07Å; L321-Y353 HydrophobicContact CG-CD2 4.09Å; L321-Y353 HydrophobicContact CG-CE2 4.41Å; L321-Y353 HydrophobicContact CG-CG 4.26Å; S322-Y353 WeakPolarHBondContact OG-CA 3.4Å; L332-Y353 WeakPolarHBondContact CD1-OH 3.3Å; L332-Y353 HydrophobicContact CD2-CE2 4.17Å; E336-Y353 WeakPolarHBondContact CG-OH 3.42Å; E336-Y353 PolarHBondContact OE1-OH 2.73Å; R343-Y353 PolarHBondContact NH2-O 2.83Å; P344-Y353 HydrophobicContact CB-CE1 4.37Å; P344-Y353 WeakPolarHBondContact O-CE1 3.33Å; T345-Y353 WeakPolarHBondContact O-CE1 3.25Å; C346-Y353 HydrophobicContact CB-CD1 3.96Å; C346-Y353 HydrophobicContact CB-CE1 4.45Å; C346-Y353 VanDerWaalsContact N-CD1 3.32Å; Y353-K355 HydrophobicContact CD2-CB 4.27Å; Y353-K355 HydrophobicContact CE2-CB 4.27Å; Y353-K355 HydrophobicContact CE2-CD 4.41Å | ||
| 354 | H | 82.8 | Confident | 82.1 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | trans | -105 | 156.6 | 156.1 | -61.7 | 90.2 | 0 | 0 | 0 | 107.9 | P269 W274 L321 S322 R343 | P269-H354 WeakPolarHBondContact CD-ND1 3.31Å; W274-H354 HydrophobicContact CH2-CB 4.08Å; W274-H354 WeakPolarHBondContact CH2-O 3.06Å; W274-H354 HydrophobicContact CZ2-CB 3.78Å; L321-H354 CarbonylContact C-O 3.57Å; L321-H354 VanDerWaalsContact CA-O 3.3Å; L321-H354 WeakPolarHBondContact CA-O 3.43Å; S322-H354 PolarHBondContact N-O 2.96Å; S322-H354 PolarHBondContact OG-N 3.47Å; R343-H354 PolarHBondContact NH2-CD2 3.42Å; R343-H354 PolarHBondContact NH2-CE1 3.17Å; R343-H354 VanDerWaalsContact NH2-CE1 3.32Å; R343-H354 PolarHBondContact NH2-NE2 2.93Å | ||
| 355 | K | 86.3 | Confident | 82.3 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 40% | 0.404 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137 | -176.3 | 67.1 | -179.7 | 175 | -171.4 | 0 | 111 | V319 L320 L321 L332 E336 Y353 | V319-K355 HydrophobicContact CG1-CB 3.63Å; V319-K355 HydrophobicContact CG1-CD 4.26Å; V319-K355 HydrophobicContact CG1-CG 4.36Å; L320-K355 WeakPolarHBondContact O-CA 3.44Å; L321-K355 HydrophobicContact CD2-CB 3.61Å; L332-K355 HydrophobicContact CD2-CD 4Å; E336-K355 IonicContact OE1-NZ 3.97Å; E336-K355 PolarHBondContact OE1-NZ 2.83Å; E336-K355 IonicContact OE2-NZ 3Å; E336-K355 PolarHBondContact OE2-NZ 3.04Å; Y353-K355 HydrophobicContact CD2-CB 4.27Å; Y353-K355 HydrophobicContact CE2-CB 4.27Å; Y353-K355 HydrophobicContact CE2-CD 4.41Å |
| 356 | I | 84.4 | Confident | 82 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.7 | 171.3 | 64.4 | 169.1 | 0 | 0 | 0 | 109.6 | W274 V319 L320 V358 | W274-I356 HydrophobicContact CB-CD1 4.27Å; W274-I356 HydrophobicContact CD2-CD1 3.79Å; W274-I356 HydrophobicContact CD2-CG1 4.3Å; W274-I356 HydrophobicContact CD2-CG2 4.03Å; W274-I356 HydrophobicContact CE3-CD1 3.42Å; W274-I356 VanDerWaalsContact CE3-CD1 3.42Å; W274-I356 HydrophobicContact CE3-CG1 3.73Å; W274-I356 HydrophobicContact CE3-CG2 4.2Å; W274-I356 HydrophobicContact CG-CD1 4.17Å; W274-I356 HydrophobicContact CH2-CG1 4.29Å; W274-I356 HydrophobicContact CH2-CG2 3.91Å; W274-I356 HydrophobicContact CZ2-CG2 3.75Å; W274-I356 HydrophobicContact CZ3-CB 4.49Å; W274-I356 HydrophobicContact CZ3-CD1 3.98Å; W274-I356 HydrophobicContact CZ3-CG1 3.72Å; W274-I356 HydrophobicContact CZ3-CG2 4.14Å; V319-I356 WeakPolarHBondContact CA-O 3.42Å; L320-I356 HydrophobicContact CB-CG1 3.99Å; L320-I356 HydrophobicContact CD2-CD1 4.32Å; L320-I356 HydrophobicContact CG-CG1 4.47Å; L320-I356 PolarHBondContact N-O 3.45Å; L320-I356 PolarHBondContact O-N 3.07Å; I356-V358 HydrophobicContact CD1-CG2 4.14Å; I356-V358 HydrophobicContact CG1-CG2 4.01Å |
| 357 | L | 81.3 | Confident | 81.6 | Confident | 100 Ų | 100 | 69.7 Ų | 69.7 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 132.3 | 171.9 | -70.5 | 165.2 | 0 | 0 | 0 | 108.6 | R317 V319 Q329 | R317-L357 HydrophobicContact CB-CD2 4.3Å; V319-L357 HydrophobicContact CG2-CD2 3.59Å; Q329-L357 HydrophobicContact CB-CD2 4.5Å; Q329-L357 HydrophobicContact CG-CD2 4.38Å |
| 358 | V | 70.1 | Confident | 81.3 | Confident | 82 Ų | 82 | 72.5 Ų | 72.5 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | trans | -124.7 | 0 | -179 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | T318 L320 I356 | T318-V358 PolarHBondContact O-N 3.47Å; T318-V358 PolarHBondContact OG1-O 3.49Å; L320-V358 HydrophobicContact CB-CG2 3.5Å; L320-V358 VanDerWaalsContact CB-CG2 3.5Å; L320-V358 HydrophobicContact CD2-CG2 4.13Å; L320-V358 HydrophobicContact CG-CG2 4.48Å; I356-V358 HydrophobicContact CD1-CG2 4.14Å; I356-V358 HydrophobicContact CG1-CG2 4.01Å |
Retrieved 358 of 358 residues in 1484.3 ms
(Link to these results)