| 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 | 53.6 | Low | 77.8 | Confident | 202 Ų | 202 | 90.1 Ų | 90.1 | 100% | 0.995 | 46% | 0.455 | S | S | * | . | 0 | -55.4 | 0 | -70.4 | -176.5 | -163.4 | 0 | 0 | 112 | L5 | M1-L5 WeakPolarHBondContact O-CB 3.11Å; M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.13Å | |||
| 2 | T | 58.9 | Low | 78.6 | Confident | 88 Ų | 88 | 83.1 Ų | 83.1 | 54% | 0.54 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 179.5 | 48.4 | 0 | 0 | 0 | 0 | 113.5 | L5 G6 P24 | T2-L5 PolarHBondContact O-N 3.02Å; T2-G6 PolarHBondContact O-N 2.79Å; T2-P24 WeakPolarHBondContact CG2-O 3.43Å |
| 3 | E | 64.4 | Low | 79.4 | Confident | 174 Ų | 174 | 77.6 Ų | 77.6 | 81% | 0.813 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.3 | -44.1 | 177.8 | -65.8 | -174.4 | 151.5 | 0 | 0 | 112.6 | L5 G6 G7 | E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 2.81Å; E3-G6 PolarHBondContact O-N 3.06Å; E3-G7 PolarHBondContact O-N 3.48Å |
| 4 | E | 79.7 | Confident | 80.2 | Confident | 140 Ų | 140 | 72.1 Ų | 72.1 | 65% | 0.654 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 176.5 | -175.5 | -178.5 | -173.6 | 0 | 0 | 111.4 | G7 K8 | E4-G7 PolarHBondContact O-N 3.41Å; E4-K8 WeakPolarHBondContact O-CG 3.5Å; E4-K8 PolarHBondContact O-N 3.28Å |
| 5 | L | 82.3 | Confident | 80.8 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64 | -45.9 | 177 | 176.9 | 60.8 | 0 | 0 | 0 | 112 | M1 T2 E3 G7 K8 F9 P23 P39 V162 | M1-L5 WeakPolarHBondContact O-CB 3.11Å; M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.13Å; T2-L5 PolarHBondContact O-N 3.02Å; E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 2.81Å; L5-G7 VanDerWaalsContact C-N 3.33Å; L5-G7 PolarHBondContact O-N 3.03Å; L5-K8 PolarHBondContact O-N 2.94Å; L5-F9 HydrophobicContact CD1-CD2 3.91Å; L5-F9 HydrophobicContact CD1-CE2 3.72Å; L5-F9 HydrophobicContact CG-CD2 4.49Å; L5-F9 WeakPolarHBondContact O-CD2 3.41Å; L5-F9 PolarHBondContact O-N 2.77Å; L5-P23 HydrophobicContact CD2-CG 3.94Å; L5-P23 HydrophobicContact CG-CG 4.05Å; L5-P39 HydrophobicContact CD1-CB 4.33Å; L5-P39 HydrophobicContact CD1-CG 3.53Å; L5-V162 HydrophobicContact CD1-CG1 4.48Å; L5-V162 HydrophobicContact CD1-CG2 3.41Å; L5-V162 VanDerWaalsContact CD1-CG2 3.41Å; L5-V162 HydrophobicContact CD2-CG2 3.56Å; L5-V162 HydrophobicContact CG-CG2 4.02Å |
| 6 | G | 82.4 | Confident | 81.4 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 7% | 0.072 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2 E3 K8 F9 Q10 P22 | T2-G6 PolarHBondContact O-N 2.79Å; E3-G6 PolarHBondContact O-N 3.06Å; G6-K8 VanDerWaalsContact C-N 3.33Å; G6-K8 PolarHBondContact O-N 3.14Å; G6-F9 PolarHBondContact O-N 3.33Å; G6-Q10 WeakPolarHBondContact O-CG 3.31Å; G6-Q10 PolarHBondContact O-N 3.48Å; G6-P22 VanDerWaalsContact CA-CB 3.46Å |
| 7 | G | 86.2 | Confident | 81.9 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 32% | 0.32 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E3 E4 L5 F9 Q10 E11 | E3-G7 PolarHBondContact O-N 3.48Å; E4-G7 PolarHBondContact O-N 3.41Å; L5-G7 VanDerWaalsContact C-N 3.33Å; L5-G7 PolarHBondContact O-N 3.03Å; G7-F9 PolarHBondContact O-N 3.32Å; G7-Q10 PolarHBondContact O-N 3.27Å; G7-E11 VanDerWaalsContact O-CB 3.27Å; G7-E11 WeakPolarHBondContact O-CB 3.29Å; G7-E11 PolarHBondContact O-N 3.09Å |
| 8 | K | 86 | Confident | 82.4 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 34% | 0.339 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 176.8 | -71.7 | -74.5 | 161.4 | -153.8 | 0 | 112.9 | E4 L5 G6 Q10 E11 A12 P39 | E4-K8 WeakPolarHBondContact O-CG 3.5Å; E4-K8 PolarHBondContact O-N 3.28Å; L5-K8 PolarHBondContact O-N 2.94Å; G6-K8 VanDerWaalsContact C-N 3.33Å; G6-K8 PolarHBondContact O-N 3.14Å; K8-Q10 VanDerWaalsContact C-N 3.35Å; K8-E11 IonicContact NZ-OE2 3.3Å; K8-E11 PolarHBondContact NZ-OE2 3.29Å; K8-A12 WeakPolarHBondContact O-CB 3.45Å; K8-A12 PolarHBondContact O-N 3.32Å; K8-P39 HydrophobicContact CB-CB 4.06Å |
| 9 | F | 85 | Confident | 82.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.1 | -33.7 | 177.8 | -89.6 | -112.8 | 0 | 0 | 0 | 113 | L5 G6 G7 G13 I14 V15 I19 P23 P39 V162 | L5-F9 HydrophobicContact CD1-CD2 3.91Å; L5-F9 HydrophobicContact CD1-CE2 3.72Å; L5-F9 HydrophobicContact CG-CD2 4.49Å; L5-F9 WeakPolarHBondContact O-CD2 3.41Å; L5-F9 PolarHBondContact O-N 2.77Å; G6-F9 PolarHBondContact O-N 3.33Å; G7-F9 PolarHBondContact O-N 3.32Å; F9-G13 PolarHBondContact O-N 3.18Å; F9-I14 HydrophobicContact CD1-CB 3.97Å; F9-I14 HydrophobicContact CD1-CG2 3.62Å; F9-I14 HydrophobicContact CE1-CG2 3.85Å; F9-I14 PolarHBondContact O-N 2.96Å; F9-V15 HydrophobicContact CB-CG2 4Å; F9-V15 HydrophobicContact CD1-CG2 4.49Å; F9-V15 PolarHBondContact O-N 2.98Å; F9-I19 HydrophobicContact CD1-CD1 4.2Å; F9-I19 HydrophobicContact CE1-CD1 4.4Å; F9-P23 HydrophobicContact CD1-CG 4.09Å; F9-P23 HydrophobicContact CD2-CG 4.06Å; F9-P23 HydrophobicContact CE1-CG 3.98Å; F9-P23 HydrophobicContact CE2-CG 3.97Å; F9-P23 HydrophobicContact CG-CG 4.15Å; F9-P23 HydrophobicContact CZ-CG 3.94Å; F9-P39 HydrophobicContact CE2-CB 4.31Å; F9-V162 HydrophobicContact CE2-CG2 3.96Å; F9-V162 HydrophobicContact CZ-CB 4.39Å; F9-V162 HydrophobicContact CZ-CG2 4.12Å |
| 10 | Q | 88.5 | Confident | 83.1 | Confident | 116 Ų | 116 | 65.3 Ų | 65.3 | 54% | 0.542 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -73.2 | -46.4 | 174.6 | -70.1 | 173.6 | -38.7 | 0 | 0 | 111.6 | G6 G7 K8 A12 G13 V15 | G6-Q10 WeakPolarHBondContact O-CG 3.31Å; G6-Q10 PolarHBondContact O-N 3.48Å; G7-Q10 PolarHBondContact O-N 3.27Å; K8-Q10 VanDerWaalsContact C-N 3.35Å; Q10-A12 PolarHBondContact O-N 3.25Å; Q10-G13 PolarHBondContact O-N 3.32Å; Q10-V15 HydrophobicContact CG-CB 4.16Å; Q10-V15 HydrophobicContact CG-CG1 4.22Å |
| 11 | E | 88.2 | Confident | 83.2 | Confident | 141 Ų | 141 | 65.2 Ų | 65.2 | 66% | 0.659 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.6 | -40.1 | 175.4 | -177.4 | -179.4 | -167.2 | 0 | 0 | 111.1 | G7 K8 G13 | G7-E11 VanDerWaalsContact O-CB 3.27Å; G7-E11 WeakPolarHBondContact O-CB 3.29Å; G7-E11 PolarHBondContact O-N 3.09Å; K8-E11 IonicContact NZ-OE2 3.3Å; K8-E11 PolarHBondContact NZ-OE2 3.29Å; E11-G13 PolarHBondContact O-N 3.46Å |
| 12 | A | 87.9 | Confident | 84.6 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 5% | 0.05 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | K8 Q10 I14 R122 Q164 | K8-A12 WeakPolarHBondContact O-CB 3.45Å; K8-A12 PolarHBondContact O-N 3.32Å; Q10-A12 PolarHBondContact O-N 3.25Å; A12-I14 HydrophobicContact CB-CB 4.49Å; A12-I14 HydrophobicContact CB-CG1 3.85Å; A12-I14 PolarHBondContact O-N 2.97Å; A12-R122 WeakPolarHBondContact O-CD 3.44Å; A12-R122 PolarHBondContact O-NH1 3.14Å; A12-Q164 HydrophobicContact CB-CG 4.44Å |
| 13 | G | 89.6 | Confident | 85.7 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 12% | 0.124 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | -0.2 | -169 | 0 | 0 | 0 | 0 | 0 | 114.5 | F9 Q10 E11 V15 D17 | F9-G13 PolarHBondContact O-N 3.18Å; Q10-G13 PolarHBondContact O-N 3.32Å; E11-G13 PolarHBondContact O-N 3.46Å; G13-V15 CarbonylContact O-C 2.93Å; G13-V15 PolarHBondContact O-N 3.03Å; G13-D17 WeakPolarHBondContact O-CA 3.37Å; G13-D17 WeakPolarHBondContact O-CB 3.15Å; G13-D17 PolarHBondContact O-N 2.71Å |
| 14 | I | 89.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.5 | -36.9 | 175.7 | -61.2 | -54.6 | 0 | 0 | 0 | 110.6 | F9 A12 D17 V18 I19 P71 R122 T124 | F9-I14 HydrophobicContact CD1-CB 3.97Å; F9-I14 HydrophobicContact CD1-CG2 3.62Å; F9-I14 HydrophobicContact CE1-CG2 3.85Å; F9-I14 PolarHBondContact O-N 2.96Å; A12-I14 HydrophobicContact CB-CB 4.49Å; A12-I14 HydrophobicContact CB-CG1 3.85Å; A12-I14 PolarHBondContact O-N 2.97Å; I14-D17 PolarHBondContact O-N 3.39Å; I14-V18 HydrophobicContact CD1-CG2 4.19Å; I14-V18 HydrophobicContact CG2-CB 4.16Å; I14-V18 HydrophobicContact CG2-CG2 4.37Å; I14-V18 PolarHBondContact O-N 3.15Å; I14-I19 HydrophobicContact CG2-CD1 4.37Å; I14-I19 HydrophobicContact CG2-CG1 4.16Å; I14-I19 PolarHBondContact O-N 3.41Å; I14-I19 VanDerWaalsContact O-N 3.14Å; I14-P71 HydrophobicContact CD1-CG 4.07Å; I14-R122 HydrophobicContact CD1-CB 4.15Å; I14-T124 HydrophobicContact CD1-CG2 4.44Å; I14-T124 WeakPolarHBondContact CD1-OG1 3.41Å; I14-T124 HydrophobicContact CG2-CG2 4.05Å |
| 15 | V | 90.2 | Very high | 86.7 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -100.3 | 114.3 | 159.2 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | F9 Q10 G13 I19 P22 | F9-V15 HydrophobicContact CB-CG2 4Å; F9-V15 HydrophobicContact CD1-CG2 4.49Å; F9-V15 PolarHBondContact O-N 2.98Å; Q10-V15 HydrophobicContact CG-CB 4.16Å; Q10-V15 HydrophobicContact CG-CG1 4.22Å; G13-V15 CarbonylContact O-C 2.93Å; G13-V15 PolarHBondContact O-N 3.03Å; V15-I19 WeakPolarHBondContact CA-O 3.05Å; V15-I19 HydrophobicContact CG2-CD1 4.18Å; V15-I19 HydrophobicContact CG2-CG1 3.84Å; V15-P22 HydrophobicContact CG2-CB 4.45Å |
| 16 | P | 90.2 | Very high | 86.8 | Confident | 88 Ų | 88 | 47.7 Ų | 47.7 | 57% | 0.571 | 27% | 0.273 | S | S | * | . | H | α-helix | cis | -106.5 | 18.4 | 10 | 41.9 | -35.1 | 0 | 0 | 0 | 114.4 | V18 I19 R149 | P16-V18 PolarHBondContact O-N 3.16Å; P16-I19 WeakPolarHBondContact CA-O 3.48Å; P16-R149 PolarHBondContact O-NH2 3.42Å |
| 17 | D | 89.9 | Confident | 87.2 | Confident | 82 Ų | 82 | 47.4 Ų | 47.4 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | -174.2 | -65.6 | -15.4 | 0 | 0 | 0 | 112 | G13 I14 R122 R149 | G13-D17 WeakPolarHBondContact O-CA 3.37Å; G13-D17 WeakPolarHBondContact O-CB 3.15Å; G13-D17 PolarHBondContact O-N 2.71Å; I14-D17 PolarHBondContact O-N 3.39Å; D17-R122 IonicContact OD2-CZ 3.86Å; D17-R122 IonicContact OD2-NH1 2.97Å; D17-R122 PolarHBondContact OD2-NH1 3.03Å; D17-R122 IonicContact OD2-NH2 3.96Å; D17-R122 PolarHBondContact OD2-NH2 2.76Å; D17-R122 VanDerWaalsContact OD2-NH2 3.17Å; D17-R149 PolarHBondContact O-NH1 3.42Å |
| 18 | V | 90.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -46.4 | -173.1 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | I14 P16 I69 P71 L126 T148 R149 | I14-V18 HydrophobicContact CD1-CG2 4.19Å; I14-V18 HydrophobicContact CG2-CB 4.16Å; I14-V18 HydrophobicContact CG2-CG2 4.37Å; I14-V18 PolarHBondContact O-N 3.15Å; P16-V18 PolarHBondContact O-N 3.16Å; V18-I69 HydrophobicContact CB-CD1 4.19Å; V18-I69 HydrophobicContact CG1-CD1 3.22Å; V18-I69 HydrophobicContact CG2-CD1 3.87Å; V18-P71 HydrophobicContact CG2-CB 3.72Å; V18-P71 HydrophobicContact CG2-CG 4.23Å; V18-L126 HydrophobicContact CG1-CD1 4.02Å; V18-T148 HydrophobicContact CG1-CG2 4.16Å; V18-R149 WeakPolarHBondContact O-CG 3.14Å; V18-R149 PolarHBondContact O-NH1 3.02Å |
| 19 | I | 89.9 | Confident | 87.8 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | trans | -131.5 | 154.3 | -175.5 | 58.1 | 174.3 | 0 | 0 | 0 | 110.4 | F9 I14 V15 P16 S21 L126 T148 M152 | F9-I19 HydrophobicContact CD1-CD1 4.2Å; F9-I19 HydrophobicContact CE1-CD1 4.4Å; I14-I19 HydrophobicContact CG2-CD1 4.37Å; I14-I19 HydrophobicContact CG2-CG1 4.16Å; I14-I19 PolarHBondContact O-N 3.41Å; I14-I19 VanDerWaalsContact O-N 3.14Å; V15-I19 WeakPolarHBondContact CA-O 3.05Å; V15-I19 HydrophobicContact CG2-CD1 4.18Å; V15-I19 HydrophobicContact CG2-CG1 3.84Å; P16-I19 WeakPolarHBondContact CA-O 3.48Å; I19-S21 WeakPolarHBondContact CD1-O 3.45Å; I19-L126 HydrophobicContact CD1-CD2 4.35Å; I19-L126 HydrophobicContact CG2-CD1 4.22Å; I19-T148 HydrophobicContact CG2-CG2 4.3Å; I19-M152 HydrophobicContact CG2-SD 4.1Å | ||
| 20 | D | 88.8 | Confident | 88.2 | Confident | 106 Ų | 106 | 49.2 Ų | 49.2 | 57% | 0.567 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -89.6 | -11.4 | -170.2 | -53.5 | -40.5 | 0 | 0 | 0 | 113.8 | R149 | D20-R149 IonicContact OD1-CZ 3.75Å; D20-R149 VanDerWaalsContact OD1-CZ 3.3Å; D20-R149 IonicContact OD1-NE 3.2Å; D20-R149 PolarHBondContact OD1-NE 2.82Å; D20-R149 IonicContact OD1-NH2 2.91Å; D20-R149 PolarHBondContact OD1-NH2 3.06Å; D20-R149 IonicContact OD2-NE 3.97Å |
| 21 | S | 86.2 | Confident | 88.5 | Confident | 64 Ų | 64 | 44 Ų | 44 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -148.8 | 144.5 | -177.4 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | I19 N159 | I19-S21 WeakPolarHBondContact CD1-O 3.45Å; S21-N159 PolarHBondContact O-ND2 3.26Å |
| 22 | P | 83 | Confident | 88.6 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | trans | -64 | 153.5 | -179.8 | 26.8 | -34.1 | 0 | 0 | 0 | 111.7 | G6 V15 | G6-P22 VanDerWaalsContact CA-CB 3.46Å; V15-P22 HydrophobicContact CG2-CB 4.45Å | ||
| 23 | P | 80.4 | Confident | 88.7 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | trans | -74.8 | 145.5 | -179.9 | 30.4 | -35.5 | 0 | 0 | 0 | 112.7 | L5 F9 A25 F161 V162 | L5-P23 HydrophobicContact CD2-CG 3.94Å; L5-P23 HydrophobicContact CG-CG 4.05Å; F9-P23 HydrophobicContact CD1-CG 4.09Å; F9-P23 HydrophobicContact CD2-CG 4.06Å; F9-P23 HydrophobicContact CE1-CG 3.98Å; F9-P23 HydrophobicContact CE2-CG 3.97Å; F9-P23 HydrophobicContact CG-CG 4.15Å; F9-P23 HydrophobicContact CZ-CG 3.94Å; P23-A25 VanDerWaalsContact C-N 3.35Å; P23-A25 PolarHBondContact O-N 2.83Å; P23-F161 WeakPolarHBondContact CB-O 3.37Å; P23-F161 WeakPolarHBondContact CG-O 3.15Å; P23-V162 HydrophobicContact CG-CG2 3.98Å | ||
| 24 | P | 81.4 | Confident | 88.7 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 41% | 0.409 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -74.2 | -18.2 | 177.9 | 30.7 | -38.6 | 0 | 0 | 0 | 114.4 | T2 Y160 | T2-P24 WeakPolarHBondContact CG2-O 3.43Å; P24-Y160 HydrophobicContact CG-CD1 3.67Å; P24-Y160 HydrophobicContact CG-CE1 4.42Å; P24-Y160 HydrophobicContact CG-CG 4.17Å |
| 25 | A | 84 | Confident | 88.7 | Confident | 34 Ų | 34 | 55.1 Ų | 55.1 | 28% | 0.281 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -151.6 | 147.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P23 F161 V162 | P23-A25 VanDerWaalsContact C-N 3.35Å; P23-A25 PolarHBondContact O-N 2.83Å; A25-F161 PolarHBondContact O-N 3.34Å; A25-V162 WeakPolarHBondContact O-CG2 3.4Å |
| 26 | K | 85.7 | Confident | 88.8 | Confident | 94 Ų | 94 | 57.4 Ų | 57.4 | 41% | 0.409 | 35% | 0.354 | S | S | . | . | trans | -72.1 | 140.7 | 172.5 | -160.5 | -172.5 | 168.8 | 174.2 | 0 | 110.6 | V37 S38 V162 | K26-V37 VanDerWaalsContact CE-O 3.27Å; K26-V37 WeakPolarHBondContact CE-O 3.22Å; K26-V37 PolarHBondContact NZ-O 3.31Å; K26-V37 VanDerWaalsContact NZ-O 3.15Å; K26-S38 PolarHBondContact NZ-OG 3.31Å; K26-V162 HydrophobicContact CB-CG2 4.39Å; K26-V162 HydrophobicContact CG-CB 4.31Å; K26-V162 HydrophobicContact CG-CG1 3.87Å; K26-V162 HydrophobicContact CG-CG2 4.31Å | ||
| 27 | L | 89.2 | Confident | 88.8 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | trans | -100.7 | 136.2 | 171.8 | -178.1 | 64.3 | 0 | 0 | 0 | 107.4 | V29 I54 S55 Y56 L66 F125 L127 V162 | L27-V29 HydrophobicContact CD2-CG2 4.16Å; L27-V29 HydrophobicContact CG-CG2 4.12Å; L27-V29 PolarHBondContact O-N 2.88Å; L27-I54 HydrophobicContact CD1-CG2 3.72Å; L27-I54 HydrophobicContact CD2-CG2 3.69Å; L27-I54 HydrophobicContact CG-CG2 3.86Å; L27-S55 WeakPolarHBondContact CD1-O 3.47Å; L27-Y56 HydrophobicContact CD1-CD2 4.23Å; L27-Y56 HydrophobicContact CD1-CG 4.5Å; L27-L66 HydrophobicContact CD2-CD1 4.19Å; L27-F125 HydrophobicContact CD2-CB 4.4Å; L27-L127 HydrophobicContact CD1-CB 4.47Å; L27-L127 HydrophobicContact CD1-CD2 3.61Å; L27-L127 HydrophobicContact CD2-CB 3.99Å; L27-V162 HydrophobicContact CB-CB 3.91Å; L27-V162 WeakPolarHBondContact CB-O 3.38Å; L27-V162 WeakPolarHBondContact CD2-O 3.5Å | ||
| 28 | E | 91.4 | Very high | 88.8 | Confident | 107 Ų | 107 | 51.8 Ų | 51.8 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 111.6 | 177.4 | -66.9 | -178.1 | 168.1 | 0 | 0 | 109.5 | T36 I54 S55 | E28-T36 HydrophobicContact CB-CG2 4.43Å; E28-I54 WeakPolarHBondContact O-CA 3.44Å; E28-S55 VanDerWaalsContact CB-OG 3.3Å; E28-S55 WeakPolarHBondContact CB-OG 3.32Å; E28-S55 PolarHBondContact N-O 2.78Å; E28-S55 PolarHBondContact O-N 3.42Å; E28-S55 PolarHBondContact OE2-OG 3.39Å |
| 29 | V | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.9 | 179 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | L27 Y31 T36 V37 P52 I54 F125 A163 | L27-V29 HydrophobicContact CD2-CG2 4.16Å; L27-V29 HydrophobicContact CG-CG2 4.12Å; L27-V29 PolarHBondContact O-N 2.88Å; V29-Y31 HydrophobicContact CG1-CE2 4.29Å; V29-T36 WeakPolarHBondContact O-CA 3.43Å; V29-V37 HydrophobicContact CB-CB 4.29Å; V29-V37 HydrophobicContact CG1-CG2 4.31Å; V29-V37 WeakPolarHBondContact O-CG2 3.44Å; V29-V37 PolarHBondContact O-N 3.49Å; V29-P52 HydrophobicContact CG1-CB 3.74Å; V29-P52 HydrophobicContact CG1-CG 3.73Å; V29-I54 HydrophobicContact CB-CD1 3.94Å; V29-I54 HydrophobicContact CG1-CD1 3.68Å; V29-I54 HydrophobicContact CG2-CD1 3.53Å; V29-F125 HydrophobicContact CG1-CD2 4.32Å; V29-F125 HydrophobicContact CG1-CE2 4.06Å; V29-F125 HydrophobicContact CG1-CZ 4.27Å; V29-F125 HydrophobicContact CG2-CD2 4.48Å; V29-F125 HydrophobicContact CG2-CG 4.46Å; V29-A163 HydrophobicContact CB-CB 4.23Å; V29-A163 HydrophobicContact CG2-CB 3.57Å |
| 30 | T | 94.2 | Very high | 88.3 | Confident | 40 Ų | 40 | 54 Ų | 54 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 116 | -175.5 | -50 | 0 | 0 | 0 | 0 | 110.4 | K34 P52 R53 | T30-K34 WeakPolarHBondContact CG2-O 3.38Å; T30-P52 CarbonylContact O-C 3.59Å; T30-P52 WeakPolarHBondContact O-CA 3.32Å; T30-P52 WeakPolarHBondContact O-CB 3.4Å; T30-R53 PolarHBondContact N-O 2.91Å; T30-R53 PolarHBondContact O-N 2.83Å |
| 31 | Y | 93.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | trans | -80.8 | 151.6 | 170.1 | -72.1 | -83.4 | 0 | 0 | 0 | 110.5 | V29 G33 K34 V37 L43 V48 H50 P52 Y109 F125 | V29-Y31 HydrophobicContact CG1-CE2 4.29Å; Y31-G33 PolarHBondContact O-N 2.79Å; Y31-K34 PolarHBondContact O-N 3.06Å; Y31-V37 HydrophobicContact CD2-CG2 3.77Å; Y31-V37 HydrophobicContact CE2-CG2 4.01Å; Y31-L43 HydrophobicContact CD2-CD1 4.05Å; Y31-L43 HydrophobicContact CE2-CD1 3.82Å; Y31-V48 HydrophobicContact CD1-CB 4.26Å; Y31-V48 HydrophobicContact CD1-CG1 4.14Å; Y31-V48 HydrophobicContact CD2-CG1 4.09Å; Y31-V48 HydrophobicContact CE1-CB 3.66Å; Y31-V48 HydrophobicContact CE1-CG1 3.72Å; Y31-V48 HydrophobicContact CE2-CB 4.47Å; Y31-V48 HydrophobicContact CE2-CG1 3.66Å; Y31-V48 HydrophobicContact CG-CG1 4.31Å; Y31-V48 VanDerWaalsContact CZ-CG1 3.45Å; Y31-H50 VanDerWaalsContact CD1-O 3.32Å; Y31-H50 WeakPolarHBondContact CD1-O 3.42Å; Y31-H50 VanDerWaalsContact CE1-O 3.29Å; Y31-H50 WeakPolarHBondContact CE1-O 3.16Å; Y31-P52 HydrophobicContact CD1-CB 3.78Å; Y31-P52 HydrophobicContact CD1-CG 4.36Å; Y31-P52 HydrophobicContact CD2-CB 4.11Å; Y31-P52 HydrophobicContact CE1-CB 3.76Å; Y31-P52 HydrophobicContact CE1-CG 3.83Å; Y31-P52 HydrophobicContact CE2-CB 4.09Å; Y31-P52 HydrophobicContact CE2-CG 4.28Å; Y31-P52 HydrophobicContact CG-CB 3.97Å; Y31-Y109 PolarHBondContact OH-OH 3.06Å; Y31-F125 WeakPolarHBondContact OH-CZ 3.49Å | ||
| 32 | S | 91.1 | Very high | 88.5 | Confident | 115 Ų | 115 | 55.4 Ų | 55.4 | 80% | 0.804 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 127.8 | -175.7 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | K34 | S32-K34 PolarHBondContact O-N 2.84Š|
| 33 | G | 90.2 | Very high | 88.9 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 85% | 0.845 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 14.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y31 | Y31-G33 PolarHBondContact O-N 2.79Š|
| 34 | K | 90.1 | Very high | 89.3 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 37% | 0.365 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -121.3 | 152.7 | 179.8 | -59.5 | -67.7 | 174.3 | 159.8 | 0 | 111.2 | T30 Y31 S32 D47 | T30-K34 WeakPolarHBondContact CG2-O 3.38Å; Y31-K34 PolarHBondContact O-N 3.06Å; S32-K34 PolarHBondContact O-N 2.84Å; K34-D47 HydrophobicContact CD-CB 4.5Å; K34-D47 WeakPolarHBondContact CE-OD1 3.24Å; K34-D47 IonicContact NZ-OD1 2.71Å; K34-D47 PolarHBondContact NZ-OD1 2.97Å; K34-D47 IonicContact NZ-OD2 3.25Å; K34-D47 PolarHBondContact NZ-OD2 2.73Å |
| 35 | P | 89.5 | Confident | 89.6 | Confident | 112 Ų | 112 | 60.6 Ų | 60.6 | 73% | 0.727 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -58 | 161.4 | 166.6 | -22 | 33.8 | 0 | 0 | 0 | 112.2 | V37 | P35-V37 PolarHBondContact O-N 3.43Š|
| 36 | T | 90.9 | Very high | 89.8 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -60.5 | 128.8 | 172.2 | -52.1 | 0 | 0 | 0 | 0 | 110.2 | E28 V29 | E28-T36 HydrophobicContact CB-CG2 4.43Å; V29-T36 WeakPolarHBondContact O-CA 3.43Å |
| 37 | V | 91.3 | Very high | 90 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.036 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 137.9 | -179.6 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | K26 V29 Y31 P35 D41 L43 | K26-V37 VanDerWaalsContact CE-O 3.27Å; K26-V37 WeakPolarHBondContact CE-O 3.22Å; K26-V37 PolarHBondContact NZ-O 3.31Å; K26-V37 VanDerWaalsContact NZ-O 3.15Å; V29-V37 HydrophobicContact CB-CB 4.29Å; V29-V37 HydrophobicContact CG1-CG2 4.31Å; V29-V37 WeakPolarHBondContact O-CG2 3.44Å; V29-V37 PolarHBondContact O-N 3.49Å; Y31-V37 HydrophobicContact CD2-CG2 3.77Å; Y31-V37 HydrophobicContact CE2-CG2 4.01Å; P35-V37 PolarHBondContact O-N 3.43Å; V37-D41 HydrophobicContact CG1-CB 4.14Å; V37-L43 HydrophobicContact CG1-CD1 4.23Å; V37-L43 HydrophobicContact CG2-CD1 3.85Å |
| 38 | S | 88.9 | Confident | 90.2 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | trans | -105.6 | 150 | 170.2 | -65 | 0 | 0 | 0 | 0 | 111.2 | K26 G40 D41 | K26-S38 PolarHBondContact NZ-OG 3.31Å; S38-G40 PolarHBondContact O-N 2.78Å; S38-D41 PolarHBondContact N-OD2 3.06Å; S38-D41 WeakPolarHBondContact O-CB 3.3Å; S38-D41 VanDerWaalsContact O-CG 3.24Å; S38-D41 PolarHBondContact O-N 2.82Å | ||
| 39 | P | 85.4 | Confident | 90.2 | Very high | 20 Ų | 20 | 63 Ų | 63 | 13% | 0.13 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 125.7 | 177.2 | -18.6 | 28 | 0 | 0 | 0 | 111.1 | L5 K8 F9 V162 | L5-P39 HydrophobicContact CD1-CB 4.33Å; L5-P39 HydrophobicContact CD1-CG 3.53Å; K8-P39 HydrophobicContact CB-CB 4.06Å; F9-P39 HydrophobicContact CE2-CB 4.31Å; P39-V162 HydrophobicContact CG-CG1 3.79Å |
| 40 | G | 85.8 | Confident | 90.2 | Very high | 32 Ų | 32 | 69.4 Ų | 69.4 | 33% | 0.33 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -1.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | S38 E42 Q164 | S38-G40 PolarHBondContact O-N 2.78Å; G40-E42 PolarHBondContact O-N 3.33Å; G40-Q164 PolarHBondContact N-O 2.69Å |
| 41 | D | 89.7 | Confident | 90.3 | Very high | 60 Ų | 60 | 69.7 Ų | 69.7 | 32% | 0.321 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 132.8 | 174.9 | -75.9 | -4 | 0 | 0 | 0 | 111.1 | V37 S38 L43 H165 S166 | V37-D41 HydrophobicContact CG1-CB 4.14Å; S38-D41 PolarHBondContact N-OD2 3.06Å; S38-D41 WeakPolarHBondContact O-CB 3.3Å; S38-D41 VanDerWaalsContact O-CG 3.24Å; S38-D41 PolarHBondContact O-N 2.82Å; D41-L43 HydrophobicContact CB-CD2 4.32Å; D41-H165 WeakPolarHBondContact O-CA 3.18Å; D41-H165 PolarHBondContact O-ND1 2.75Å; D41-S166 PolarHBondContact O-N 3.27Å |
| 42 | E | 89.6 | Confident | 90.3 | Very high | 138 Ų | 138 | 69.8 Ų | 69.8 | 65% | 0.645 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.1 | 167.7 | -73.5 | 177.7 | -163 | 0 | 0 | 109.9 | G40 L120 S166 | G40-E42 PolarHBondContact O-N 3.33Å; E42-L120 HydrophobicContact CG-CD1 4.29Å; E42-L120 WeakPolarHBondContact OE1-CD1 3.18Å; E42-S166 WeakPolarHBondContact CA-O 3.47Å |
| 43 | L | 90.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 71.3 Ų | 71.3 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | trans | -124.9 | 146.6 | 177.9 | -42.1 | 165.5 | 0 | 0 | 0 | 110.4 | Y31 V37 D41 V48 H165 S166 | Y31-L43 HydrophobicContact CD2-CD1 4.05Å; Y31-L43 HydrophobicContact CE2-CD1 3.82Å; V37-L43 HydrophobicContact CG1-CD1 4.23Å; V37-L43 HydrophobicContact CG2-CD1 3.85Å; D41-L43 HydrophobicContact CB-CD2 4.32Å; L43-V48 HydrophobicContact CB-CG1 4.01Å; L43-V48 HydrophobicContact CD1-CG1 3.8Å; L43-H165 VanDerWaalsContact CA-CE1 3.4Å; L43-H165 WeakPolarHBondContact CA-CE1 3.4Å; L43-H165 WeakPolarHBondContact CB-CE1 3.47Å; L43-H165 WeakPolarHBondContact CB-ND1 3.37Å; L43-H165 HydrophobicContact CD1-CB 4.25Å; L43-H165 WeakPolarHBondContact CD1-ND1 3.28Å; L43-H165 WeakPolarHBondContact CG-ND1 3.34Å; L43-H165 PolarHBondContact N-CE1 2.82Å; L43-H165 PolarHBondContact N-ND1 2.95Å; L43-H165 PolarHBondContact O-CE1 3.22Å; L43-S166 PolarHBondContact N-O 2.88Å; L43-S166 VanDerWaalsContact N-O 3.1Å | ||
| 44 | H | 88.7 | Confident | 90.7 | Very high | 141 Ų | 141 | 67.4 Ų | 67.4 | 65% | 0.653 | 35% | 0.351 | S | S | * | . | trans | -79.5 | 145 | 176.1 | -67.1 | -76 | 0 | 0 | 0 | 111 | L46 D47 V48 | H44-L46 PolarHBondContact O-N 3.25Å; H44-D47 WeakPolarHBondContact O-CA 3.43Å; H44-D47 WeakPolarHBondContact O-CB 3.29Å; H44-D47 PolarHBondContact O-N 3.32Å; H44-V48 PolarHBondContact O-N 2.92Å | ||
| 45 | T | 87.2 | Confident | 90.8 | Very high | 60 Ų | 60 | 64.2 Ų | 64.2 | 37% | 0.368 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -35 | 174.7 | -57 | 0 | 0 | 0 | 0 | 113.6 | D47 V48 R49 V111 P112 | T45-D47 VanDerWaalsContact C-N 3.27Å; T45-D47 PolarHBondContact O-N 2.91Å; T45-V48 WeakPolarHBondContact O-CG2 3.31Å; T45-V48 PolarHBondContact O-N 2.84Å; T45-R49 WeakPolarHBondContact O-CG 3.47Å; T45-R49 PolarHBondContact O-N 2.85Å; T45-V111 HydrophobicContact CG2-CG1 4.39Å; T45-P112 WeakPolarHBondContact CG2-O 3.15Å |
| 46 | L | 88.3 | Confident | 90.9 | Very high | 112 Ų | 112 | 60.4 Ų | 60.4 | 59% | 0.586 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -28.5 | 178.2 | -63.9 | 179.9 | 0 | 0 | 0 | 113.4 | H44 R49 | H44-L46 PolarHBondContact O-N 3.25Å; L46-R49 WeakPolarHBondContact O-CG 3.28Å; L46-R49 PolarHBondContact O-NE 2.71Å; L46-R49 PolarHBondContact O-NH1 2.75Å |
| 47 | D | 90.9 | Very high | 90.9 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -20.8 | -178.9 | -64.3 | -22.5 | 0 | 0 | 0 | 112.1 | K34 H44 T45 | K34-D47 HydrophobicContact CD-CB 4.5Å; K34-D47 WeakPolarHBondContact CE-OD1 3.24Å; K34-D47 IonicContact NZ-OD1 2.71Å; K34-D47 PolarHBondContact NZ-OD1 2.97Å; K34-D47 IonicContact NZ-OD2 3.25Å; K34-D47 PolarHBondContact NZ-OD2 2.73Å; H44-D47 WeakPolarHBondContact O-CA 3.43Å; H44-D47 WeakPolarHBondContact O-CB 3.29Å; H44-D47 PolarHBondContact O-N 3.32Å; T45-D47 VanDerWaalsContact C-N 3.27Å; T45-D47 PolarHBondContact O-N 2.91Å |
| 48 | V | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 20.6 | -176.8 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | Y31 L43 H44 T45 H50 Y109 P112 | Y31-V48 HydrophobicContact CD1-CB 4.26Å; Y31-V48 HydrophobicContact CD1-CG1 4.14Å; Y31-V48 HydrophobicContact CD2-CG1 4.09Å; Y31-V48 HydrophobicContact CE1-CB 3.66Å; Y31-V48 HydrophobicContact CE1-CG1 3.72Å; Y31-V48 HydrophobicContact CE2-CB 4.47Å; Y31-V48 HydrophobicContact CE2-CG1 3.66Å; Y31-V48 HydrophobicContact CG-CG1 4.31Å; Y31-V48 VanDerWaalsContact CZ-CG1 3.45Å; L43-V48 HydrophobicContact CB-CG1 4.01Å; L43-V48 HydrophobicContact CD1-CG1 3.8Å; H44-V48 PolarHBondContact O-N 2.92Å; T45-V48 WeakPolarHBondContact O-CG2 3.31Å; T45-V48 PolarHBondContact O-N 2.84Å; V48-H50 PolarHBondContact O-N 2.73Å; V48-Y109 PolarHBondContact O-OH 3.23Å; V48-P112 HydrophobicContact CB-CG 4.16Å; V48-P112 HydrophobicContact CG2-CB 3.73Å; V48-P112 HydrophobicContact CG2-CG 3.68Å |
| 49 | R | 92.2 | Very high | 90.9 | Very high | 125 Ų | 125 | 68.8 Ų | 68.8 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -64.6 | -22.9 | 178.1 | -69.2 | -169.9 | -55.9 | -105.8 | -5.9 | 114.4 | T45 L46 V111 | T45-R49 WeakPolarHBondContact O-CG 3.47Å; T45-R49 PolarHBondContact O-N 2.85Å; L46-R49 WeakPolarHBondContact O-CG 3.28Å; L46-R49 PolarHBondContact O-NE 2.71Å; L46-R49 PolarHBondContact O-NH1 2.75Å; R49-V111 WeakPolarHBondContact O-CG2 3.43Å |
| 50 | H | 94.1 | Very high | 91.3 | Very high | 134 Ų | 134 | 75.6 Ų | 75.6 | 62% | 0.62 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -121.9 | 146.5 | -179.3 | -58.6 | -56.7 | 0 | 0 | 0 | 109.1 | Y31 V48 | Y31-H50 VanDerWaalsContact CD1-O 3.32Å; Y31-H50 WeakPolarHBondContact CD1-O 3.42Å; Y31-H50 VanDerWaalsContact CE1-O 3.29Å; Y31-H50 WeakPolarHBondContact CE1-O 3.16Å; V48-H50 PolarHBondContact O-N 2.73Å |
| 51 | A | 94.5 | Very high | 91.6 | Very high | 46 Ų | 46 | 76.2 Ų | 76.2 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 134.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | W87 Y109 | A51-W87 HydrophobicContact CB-CH2 4.1Å; A51-W87 HydrophobicContact CB-CZ2 4.3Å; A51-W87 HydrophobicContact CB-CZ3 4.33Å; A51-Y109 HydrophobicContact CB-CD1 4.01Å; A51-Y109 HydrophobicContact CB-CD2 3.76Å; A51-Y109 HydrophobicContact CB-CE2 4.28Å; A51-Y109 HydrophobicContact CB-CG 3.61Å |
| 52 | P | 95.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 74.7 Ų | 74.7 | 5% | 0.045 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -72 | 159.6 | 177.7 | 30.7 | -33.7 | 0 | 0 | 0 | 110.8 | V29 T30 Y31 I54 W87 F125 | V29-P52 HydrophobicContact CG1-CB 3.74Å; V29-P52 HydrophobicContact CG1-CG 3.73Å; T30-P52 CarbonylContact O-C 3.59Å; T30-P52 WeakPolarHBondContact O-CA 3.32Å; T30-P52 WeakPolarHBondContact O-CB 3.4Å; Y31-P52 HydrophobicContact CD1-CB 3.78Å; Y31-P52 HydrophobicContact CD1-CG 4.36Å; Y31-P52 HydrophobicContact CD2-CB 4.11Å; Y31-P52 HydrophobicContact CE1-CB 3.76Å; Y31-P52 HydrophobicContact CE1-CG 3.83Å; Y31-P52 HydrophobicContact CE2-CB 4.09Å; Y31-P52 HydrophobicContact CE2-CG 4.28Å; Y31-P52 HydrophobicContact CG-CB 3.97Å; P52-I54 HydrophobicContact CB-CD1 4.41Å; P52-I54 HydrophobicContact CG-CD1 3.87Å; P52-I54 HydrophobicContact CG-CG1 4.45Å; P52-W87 HydrophobicContact CG-CZ3 4.31Å; P52-F125 HydrophobicContact CG-CE1 3.83Å; P52-F125 HydrophobicContact CG-CZ 3.66Å |
| 53 | R | 94.5 | Very high | 92 | Very high | 147 Ų | 147 | 70.9 Ų | 70.9 | 56% | 0.555 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.1 | 161.2 | -173.1 | -179.5 | -176 | -168.6 | -1 | 108.4 | T30 A99 | T30-R53 PolarHBondContact N-O 2.91Å; T30-R53 PolarHBondContact O-N 2.83Å; R53-A99 PolarHBondContact NE-O 2.85Å; R53-A99 PolarHBondContact NH2-O 2.91Å |
| 54 | I | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116.3 | 176.8 | -55.1 | -66.4 | 0 | 0 | 0 | 108.2 | L27 E28 V29 P52 L66 W87 I97 G100 M102 F125 | L27-I54 HydrophobicContact CD1-CG2 3.72Å; L27-I54 HydrophobicContact CD2-CG2 3.69Å; L27-I54 HydrophobicContact CG-CG2 3.86Å; E28-I54 WeakPolarHBondContact O-CA 3.44Å; V29-I54 HydrophobicContact CB-CD1 3.94Å; V29-I54 HydrophobicContact CG1-CD1 3.68Å; V29-I54 HydrophobicContact CG2-CD1 3.53Å; P52-I54 HydrophobicContact CB-CD1 4.41Å; P52-I54 HydrophobicContact CG-CD1 3.87Å; P52-I54 HydrophobicContact CG-CG1 4.45Å; I54-L66 HydrophobicContact CB-CD2 4.48Å; I54-L66 HydrophobicContact CG1-CD2 3.8Å; I54-L66 HydrophobicContact CG2-CD1 4.4Å; I54-W87 HydrophobicContact CG1-CH2 4.28Å; I54-W87 HydrophobicContact CG1-CZ3 3.96Å; I54-I97 HydrophobicContact CG2-CD1 4.17Å; I54-G100 WeakPolarHBondContact O-CA 2.93Å; I54-M102 HydrophobicContact CB-CE 3.93Å; I54-M102 HydrophobicContact CB-SD 4.43Å; I54-M102 WeakPolarHBondContact O-CE 3.16Å; I54-F125 HydrophobicContact CD1-CD1 4.04Å; I54-F125 HydrophobicContact CD1-CE1 4.15Å |
| 55 | S | 92.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 12% | 0.119 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142 | 176.4 | 41.3 | 0 | 0 | 0 | 0 | 112.1 | L27 E28 I97 | L27-S55 WeakPolarHBondContact CD1-O 3.47Å; E28-S55 VanDerWaalsContact CB-OG 3.3Å; E28-S55 WeakPolarHBondContact CB-OG 3.32Å; E28-S55 PolarHBondContact N-O 2.78Å; E28-S55 PolarHBondContact O-N 3.42Å; E28-S55 PolarHBondContact OE2-OG 3.39Å; S55-I97 WeakPolarHBondContact CA-O 2.82Å |
| 56 | Y | 92.5 | Very high | 92.8 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | trans | -150.6 | 136.4 | 173.2 | -174.2 | -101.7 | 0 | 0 | 0 | 109 | L27 G58 Y64 I97 A98 L127 | L27-Y56 HydrophobicContact CD1-CD2 4.23Å; L27-Y56 HydrophobicContact CD1-CG 4.5Å; Y56-G58 PolarHBondContact O-N 2.82Å; Y56-Y64 HydrophobicContact CD1-CD1 4.14Å; Y56-Y64 AromaticContact CD1-CE1 3.56Å; Y56-Y64 HydrophobicContact CD1-CE1 3.56Å; Y56-Y64 HydrophobicContact CE1-CD1 4.43Å; Y56-Y64 AromaticContact CE1-CE1 3.52Å; Y56-Y64 HydrophobicContact CE1-CE1 3.52Å; Y56-Y64 AromaticContact CE1-CZ 3.99Å; Y56-I97 PolarHBondContact N-O 3.33Å; Y56-I97 CarbonylContact O-C 3.5Å; Y56-A98 WeakPolarHBondContact O-CA 3.37Å; Y56-A98 PolarHBondContact O-N 3.47Å; Y56-L127 HydrophobicContact CD1-CD2 4.45Å; Y56-L127 HydrophobicContact CG-CD2 4.06Å | ||
| 57 | P | 90.5 | Very high | 93.2 | Very high | 109 Ų | 109 | 54.5 Ų | 54.5 | 71% | 0.708 | 27% | 0.272 | S | S | * | . | trans | -56.6 | -23.2 | -171.9 | 19 | -32.5 | 0 | 0 | 0 | 114.3 | ||||
| 58 | G | 88.2 | Confident | 93.4 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | trans | 67.7 | 165.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y56 Y64 | Y56-G58 PolarHBondContact O-N 2.82Å; G58-Y64 WeakPolarHBondContact CA-OH 3.37Å | ||
| 59 | R | 91.3 | Very high | 93.5 | Very high | 161 Ų | 161 | 52.1 Ų | 52.1 | 61% | 0.608 | 26% | 0.259 | S | S | * | . | trans | -130.8 | 132.1 | 172.1 | -177.3 | 171.5 | 177.3 | 177.7 | 2.5 | 109.6 | G61 H62 Y64 H94 | R59-G61 PolarHBondContact O-N 3.04Å; R59-H62 HydrophobicContact CB-CB 4.29Å; R59-H62 VanDerWaalsContact O-CB 3.24Å; R59-H62 WeakPolarHBondContact O-CB 3.48Å; R59-H62 PolarHBondContact O-N 2.93Å; R59-Y64 PolarHBondContact N-OH 2.82Å; R59-H94 WeakPolarHBondContact O-CB 3.35Å | ||
| 60 | E | 94.1 | Very high | 93.6 | Very high | 162 Ų | 162 | 46.3 Ų | 46.3 | 76% | 0.757 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 136.8 | 179.2 | -170.8 | 177.7 | -174.6 | 0 | 0 | 111.7 | H62 | E60-H62 PolarHBondContact O-CD2 3.27Å; E60-H62 PolarHBondContact O-N 2.89Å |
| 61 | G | 92.8 | Very high | 93.6 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 47% | 0.474 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -2.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R59 G132 | R59-G61 PolarHBondContact O-N 3.04Å; G61-G132 WeakPolarHBondContact O-CA 3.35Å; G61-G132 PolarHBondContact O-N 3.11Å |
| 62 | H | 93.1 | Very high | 93.6 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 13% | 0.125 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 154.1 | 177.2 | -65.2 | -141.2 | 0 | 0 | 0 | 111.4 | R59 E60 Y64 H94 E129 | R59-H62 HydrophobicContact CB-CB 4.29Å; R59-H62 VanDerWaalsContact O-CB 3.24Å; R59-H62 WeakPolarHBondContact O-CB 3.48Å; R59-H62 PolarHBondContact O-N 2.93Å; E60-H62 PolarHBondContact O-CD2 3.27Å; E60-H62 PolarHBondContact O-N 2.89Å; H62-Y64 HydrophobicContact CB-CE2 4.08Å; H62-H94 PolarHBondContact O-N 2.81Å; H62-E129 HydrophobicContact CB-CG 4.27Å; H62-E129 IonicContact CE1-OE1 2.79Å; H62-E129 PolarHBondContact CE1-OE1 3.3Å; H62-E129 VanDerWaalsContact CE1-OE1 3.25Å; H62-E129 IonicContact CG-OE1 3.85Å; H62-E129 IonicContact ND1-OE1 3.77Å; H62-E129 PolarHBondContact ND1-OE1 3.24Å |
| 63 | Y | 93.9 | Very high | 93.4 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 156.7 | 171.4 | -67.8 | -83.2 | 0 | 0 | 0 | 109.9 | N91 I92 P93 H130 R133 K134 | Y63-N91 HydrophobicContact CD1-CB 4.44Å; Y63-I92 CarbonylContact C-O 3.58Å; Y63-I92 WeakPolarHBondContact CA-O 3.48Å; Y63-P93 HydrophobicContact CD1-CG 4.43Å; Y63-P93 HydrophobicContact CE1-CG 4.22Å; Y63-H130 WeakPolarHBondContact CB-CE1 3.47Å; Y63-H130 PolarHBondContact N-O 3.12Å; Y63-H130 PolarHBondContact O-CD2 3.31Å; Y63-H130 VanDerWaalsContact O-CD2 3.31Å; Y63-H130 PolarHBondContact O-N 3.35Å; Y63-R133 WeakPolarHBondContact CD2-O 3.39Å; Y63-K134 HydrophobicContact CD1-CG 4.37Å; Y63-K134 HydrophobicContact CD2-CG 4.3Å; Y63-K134 HydrophobicContact CE1-CD 4.39Å; Y63-K134 HydrophobicContact CE1-CG 4.14Å; Y63-K134 HydrophobicContact CE2-CG 4.08Å; Y63-K134 HydrophobicContact CG-CG 4.44Å; Y63-K134 VanDerWaalsContact CZ-CE 3.42Å; Y63-K134 VanDerWaalsContact OH-CE 3.29Å; Y63-K134 WeakPolarHBondContact OH-CE 3.46Å |
| 64 | Y | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143.5 | -177.3 | -63.2 | -93.2 | 0 | 0 | 0 | 110.5 | Y56 G58 R59 H62 N91 I92 H94 I97 L127 F128 E129 F161 | Y56-Y64 HydrophobicContact CD1-CD1 4.14Å; Y56-Y64 AromaticContact CD1-CE1 3.56Å; Y56-Y64 HydrophobicContact CD1-CE1 3.56Å; Y56-Y64 HydrophobicContact CE1-CD1 4.43Å; Y56-Y64 AromaticContact CE1-CE1 3.52Å; Y56-Y64 HydrophobicContact CE1-CE1 3.52Å; Y56-Y64 AromaticContact CE1-CZ 3.99Å; G58-Y64 WeakPolarHBondContact CA-OH 3.37Å; R59-Y64 PolarHBondContact N-OH 2.82Å; H62-Y64 HydrophobicContact CB-CE2 4.08Å; Y64-N91 CarbonylContact O-C 3.58Å; Y64-N91 PolarHBondContact O-N 3.18Å; Y64-N91 VanDerWaalsContact O-N 3.15Å; Y64-I92 PolarHBondContact N-O 3.39Å; Y64-I92 WeakPolarHBondContact O-CA 3.5Å; Y64-I92 WeakPolarHBondContact O-CB 3.46Å; Y64-I92 WeakPolarHBondContact O-CG1 3.27Å; Y64-I92 PolarHBondContact O-N 2.69Å; Y64-H94 HydrophobicContact CE2-CB 3.98Å; Y64-I97 HydrophobicContact CD2-CB 4.41Å; Y64-I97 HydrophobicContact CD2-CG2 3.51Å; Y64-I97 HydrophobicContact CE2-CG2 3.94Å; Y64-I97 HydrophobicContact CG-CG2 3.96Å; Y64-L127 HydrophobicContact CD1-CD2 4.06Å; Y64-L127 HydrophobicContact CD1-CG 4.24Å; Y64-F128 CarbonylContact C-O 3.59Å; Y64-F128 WeakPolarHBondContact CA-O 3.46Å; Y64-E129 HydrophobicContact CD1-CB 3.95Å; Y64-E129 HydrophobicContact CD1-CG 4.23Å; Y64-E129 HydrophobicContact CE1-CB 3.58Å; Y64-E129 HydrophobicContact CE1-CG 3.53Å; Y64-E129 VanDerWaalsContact CE1-OE2 3.28Å; Y64-E129 WeakPolarHBondContact CE1-OE2 3.21Å; Y64-E129 VanDerWaalsContact OH-CD 3.28Å; Y64-E129 PolarHBondContact OH-OE2 3.49Å; Y64-F161 HydrophobicContact CD1-CE1 4.28Å |
| 65 | S | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 123.2 | 178.1 | -68 | 0 | 0 | 0 | 0 | 109.5 | V89 N91 L127 F128 H130 L135 | S65-V89 CarbonylContact C-O 3.57Å; S65-V89 VanDerWaalsContact CA-O 3.28Å; S65-V89 WeakPolarHBondContact CA-O 3.48Å; S65-N91 PolarHBondContact OG-N 2.81Å; S65-N91 VanDerWaalsContact OG-N 3.16Å; S65-L127 CarbonylContact O-C 3.53Å; S65-L127 VanDerWaalsContact O-CA 3.29Å; S65-L127 WeakPolarHBondContact O-CA 3.2Å; S65-F128 PolarHBondContact N-O 3.21Å; S65-F128 WeakPolarHBondContact O-CB 3.29Å; S65-F128 WeakPolarHBondContact O-CD2 3.46Å; S65-F128 PolarHBondContact O-N 2.91Å; S65-H130 PolarHBondContact OG-NE2 2.89Å; S65-L135 WeakPolarHBondContact OG-CD1 3.49Å |
| 66 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132 | -176.8 | -178.6 | 72.3 | 0 | 0 | 0 | 111 | L27 I54 W87 M88 V89 I92 M102 F125 L126 L127 | L27-L66 HydrophobicContact CD2-CD1 4.19Å; I54-L66 HydrophobicContact CB-CD2 4.48Å; I54-L66 HydrophobicContact CG1-CD2 3.8Å; I54-L66 HydrophobicContact CG2-CD1 4.4Å; L66-W87 HydrophobicContact CD2-CD2 4.14Å; L66-W87 HydrophobicContact CD2-CE3 3.58Å; L66-W87 HydrophobicContact CD2-CH2 3.83Å; L66-W87 HydrophobicContact CD2-CZ2 4.34Å; L66-W87 HydrophobicContact CD2-CZ3 3.42Å; L66-W87 VanDerWaalsContact CD2-CZ3 3.42Å; L66-M88 CarbonylContact O-C 3.56Å; L66-M88 VanDerWaalsContact O-CA 3.31Å; L66-M88 WeakPolarHBondContact O-CA 3.41Å; L66-V89 HydrophobicContact CB-CB 4.35Å; L66-V89 PolarHBondContact N-O 3.1Å; L66-V89 PolarHBondContact O-N 3.31Å; L66-I92 HydrophobicContact CB-CD1 4.26Å; L66-M102 HydrophobicContact CD2-SD 4.18Å; L66-F125 HydrophobicContact CD1-CB 4.48Å; L66-F125 HydrophobicContact CD1-CD1 4.28Å; L66-L126 CarbonylContact C-O 3.51Å; L66-L127 HydrophobicContact CB-CD1 3.88Å; L66-L127 HydrophobicContact CD1-CB 3.93Å; L66-L127 HydrophobicContact CD1-CD1 4.19Å |
| 67 | L | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 143.1 | 163.4 | -53 | -170.6 | 0 | 0 | 0 | 109.4 | I85 W87 M88 F125 L126 F128 F146 F151 | L67-I85 HydrophobicContact CB-CD1 3.92Å; L67-I85 HydrophobicContact CD1-CD1 4.45Å; L67-I85 HydrophobicContact CD2-CD1 4.01Å; L67-I85 HydrophobicContact CG-CD1 4.34Å; L67-W87 CarbonylContact C-O 3.47Å; L67-W87 VanDerWaalsContact CA-O 3.32Å; L67-W87 WeakPolarHBondContact CA-O 3.33Å; L67-M88 HydrophobicContact CD2-CB 3.97Å; L67-M88 HydrophobicContact CD2-CE 3.46Å; L67-M88 VanDerWaalsContact CD2-CE 3.46Å; L67-M88 HydrophobicContact CD2-CG 3.48Å; L67-M88 VanDerWaalsContact CD2-CG 3.48Å; L67-M88 HydrophobicContact CD2-SD 4.16Å; L67-F125 CarbonylContact O-C 3.54Å; L67-F125 WeakPolarHBondContact O-CA 3.34Å; L67-L126 HydrophobicContact CB-CB 4.43Å; L67-L126 PolarHBondContact N-O 3.35Å; L67-L126 PolarHBondContact O-N 3.05Å; L67-F128 HydrophobicContact CB-CE2 4.33Å; L67-F128 HydrophobicContact CD1-CD2 4.42Å; L67-F128 HydrophobicContact CD1-CE2 3.62Å; L67-F128 HydrophobicContact CD1-CZ 4.39Å; L67-F128 HydrophobicContact CG-CD2 4.16Å; L67-F128 HydrophobicContact CG-CE2 3.68Å; L67-F146 HydrophobicContact CD1-CE1 3.79Å; L67-F146 HydrophobicContact CD1-CZ 4.12Å; L67-F151 HydrophobicContact CD1-CD1 3.89Å; L67-F151 HydrophobicContact CD1-CE1 4.03Å; L67-F151 HydrophobicContact CD2-CE1 4.46Å; L67-F151 HydrophobicContact CG-CE1 4.47Å |
| 68 | M | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.7 | 159.8 | -175.8 | -168.2 | 178.5 | 0 | 0 | 106.7 | I85 Q86 W87 Y109 P112 F123 T124 F125 | M68-I85 WeakPolarHBondContact O-CD1 3.47Å; M68-Q86 HydrophobicContact CB-CB 4.15Å; M68-Q86 HydrophobicContact CE-CB 4.45Å; M68-Q86 HydrophobicContact CG-CB 3.92Å; M68-Q86 WeakPolarHBondContact O-CA 3.33Å; M68-Q86 WeakPolarHBondContact O-CB 3.1Å; M68-Q86 PolarHBondContact O-N 2.88Å; M68-Q86 HydrophobicContact SD-CB 3.79Å; M68-W87 HydrophobicContact CB-CB 3.65Å; M68-W87 PolarHBondContact N-O 3.29Å; M68-W87 PolarHBondContact O-N 3.49Å; M68-W87 VanDerWaalsContact O-N 3.11Å; M68-W87 HydrophobicContact SD-CB 4.46Å; M68-Y109 HydrophobicContact CE-CE2 4.18Å; M68-Y109 HydrophobicContact SD-CD2 4.02Å; M68-Y109 HydrophobicContact SD-CE2 3.47Å; M68-Y109 WeakPolarHBondContact SD-CE2 3.5Å; M68-P112 HydrophobicContact CE-CG 3.58Å; M68-F123 HydrophobicContact CE-CB 3.77Å; M68-F123 HydrophobicContact CE-CD1 4.03Å; M68-F123 HydrophobicContact CE-CG 4.08Å; M68-T124 CarbonylContact C-O 3.55Å; M68-T124 WeakPolarHBondContact CA-O 3.14Å; M68-F125 HydrophobicContact CB-CD1 3.9Å; M68-F125 HydrophobicContact CB-CE1 3.89Å; M68-F125 HydrophobicContact CB-CZ 4.49Å; M68-F125 HydrophobicContact CE-CE1 4.49Å; M68-F125 HydrophobicContact CE-CE2 4.02Å; M68-F125 HydrophobicContact CE-CZ 3.74Å; M68-F125 HydrophobicContact CG-CD1 3.98Å; M68-F125 HydrophobicContact CG-CD2 4.42Å; M68-F125 HydrophobicContact CG-CE1 3.72Å; M68-F125 HydrophobicContact CG-CE2 4.18Å; M68-F125 HydrophobicContact CG-CG 4.33Å; M68-F125 HydrophobicContact CG-CZ 3.82Å; M68-F125 HydrophobicContact SD-CE1 3.67Å; M68-F125 HydrophobicContact SD-CE2 4.22Å; M68-F125 HydrophobicContact SD-CZ 3.49Å; M68-F125 WeakPolarHBondContact SD-CZ 2.9Å |
| 69 | I | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 155.6 | -177.5 | 59.5 | 165.8 | 0 | 0 | 0 | 111.2 | V18 E83 W84 I85 F123 T124 L126 | V18-I69 HydrophobicContact CB-CD1 4.19Å; V18-I69 HydrophobicContact CG1-CD1 3.22Å; V18-I69 HydrophobicContact CG2-CD1 3.87Å; I69-E83 HydrophobicContact CD1-CG 4.35Å; I69-W84 CarbonylContact C-O 3.6Å; I69-W84 WeakPolarHBondContact CA-O 3.41Å; I69-I85 HydrophobicContact CG2-CD1 3.64Å; I69-F123 CarbonylContact O-C 2.8Å; I69-F123 WeakPolarHBondContact O-CA 3.42Å; I69-T124 PolarHBondContact N-O 2.88Å; I69-T124 PolarHBondContact O-N 2.86Å; I69-L126 HydrophobicContact CD1-CD1 4.18Å |
| 70 | D | 94.9 | Very high | 93 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 101.7 | 165.8 | 173.2 | 6 | 0 | 0 | 0 | 108 | D72 N73 W84 Q86 H121 F123 | D70-D72 PolarHBondContact O-N 3.41Å; D70-D72 WeakPolarHBondContact OD1-CA 3.32Å; D70-D72 PolarHBondContact OD1-N 3.44Å; D70-N73 PolarHBondContact OD1-N 3.28Å; D70-N73 WeakPolarHBondContact OD2-CB 3.39Å; D70-W84 HydrophobicContact CB-CB 4.2Å; D70-W84 PolarHBondContact N-O 3.3Å; D70-W84 PolarHBondContact O-N 2.86Å; D70-Q86 HydrophobicContact CB-CG 4.28Å; D70-H121 IonicContact OD1-CG 2.69Å; D70-H121 IonicContact OD1-ND1 2.81Å; D70-H121 PolarHBondContact OD1-ND1 2.95Å; D70-H121 IonicContact OD2-CE1 2.85Å; D70-H121 IonicContact OD2-CG 2.69Å; D70-H121 IonicContact OD2-ND1 3.21Å; D70-H121 PolarHBondContact OD2-ND1 2.91Å; D70-F123 HydrophobicContact CB-CD1 3.86Å; D70-F123 HydrophobicContact CB-CE1 3.63Å |
| 71 | P | 94.5 | Very high | 92.9 | Very high | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.4 | 179.1 | 35.5 | -34.6 | 0 | 0 | 0 | 112.6 | I14 V18 A82 E83 R122 | I14-P71 HydrophobicContact CD1-CG 4.07Å; V18-P71 HydrophobicContact CG2-CB 3.72Å; V18-P71 HydrophobicContact CG2-CG 4.23Å; P71-A82 WeakPolarHBondContact O-CB 3.42Å; P71-E83 HydrophobicContact CB-CG 4.48Å; P71-R122 WeakPolarHBondContact CD-O 3.16Å; P71-R122 HydrophobicContact CG-CB 3.97Å |
| 72 | D | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -7.9 | -174.5 | -62.6 | -36.1 | 0 | 0 | 0 | 112.4 | D70 L74 S75 R76 H121 R122 | D70-D72 PolarHBondContact O-N 3.41Å; D70-D72 WeakPolarHBondContact OD1-CA 3.32Å; D70-D72 PolarHBondContact OD1-N 3.44Å; D72-L74 CarbonylContact O-C 3.4Å; D72-L74 PolarHBondContact O-N 2.71Å; D72-S75 CarbonylContact O-C 3.38Å; D72-S75 WeakPolarHBondContact O-CA 3.32Å; D72-S75 PolarHBondContact O-N 3.45Å; D72-R76 HydrophobicContact CB-CB 4.08Å; D72-R76 PolarHBondContact O-N 3.38Å; D72-H121 HydrophobicContact CB-CB 4.34Å; D72-R122 IonicContact OD1-CZ 3.17Å; D72-R122 IonicContact OD1-NE 2.82Å; D72-R122 PolarHBondContact OD1-NE 2.83Å; D72-R122 IonicContact OD1-NH2 2.75Å; D72-R122 PolarHBondContact OD1-NH2 3.44Å; D72-R122 VanDerWaalsContact OD2-CB 3.22Å; D72-R122 WeakPolarHBondContact OD2-CB 3.45Å; D72-R122 WeakPolarHBondContact OD2-CG 3.29Å; D72-R122 IonicContact OD2-CZ 2.97Å; D72-R122 PolarHBondContact OD2-N 2.78Å; D72-R122 IonicContact OD2-NE 3.44Å; D72-R122 PolarHBondContact OD2-NE 3.26Å |
| 73 | N | 91.9 | Very high | 93 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 125.5 | -177.2 | -158.7 | -42.6 | 0 | 0 | 0 | 112.7 | D70 P79 C80 Q81 A82 W84 | D70-N73 PolarHBondContact OD1-N 3.28Å; D70-N73 WeakPolarHBondContact OD2-CB 3.39Å; N73-P79 CarbonylContact O-C 3.12Å; N73-P79 VanDerWaalsContact O-CA 3.28Å; N73-P79 WeakPolarHBondContact O-CA 3.43Å; N73-C80 PolarHBondContact O-N 3.09Å; N73-Q81 HydrophobicContact CB-CB 4.17Å; N73-Q81 CarbonylContact O-C 3.41Å; N73-Q81 WeakPolarHBondContact O-CA 2.96Å; N73-Q81 PolarHBondContact O-N 2.83Å; N73-A82 PolarHBondContact O-N 2.81Å; N73-W84 HydrophobicContact CB-CB 3.67Å; N73-W84 HydrophobicContact CB-CG 4.39Å |
| 74 | L | 89.8 | Confident | 93.1 | Very high | 84 Ų | 84 | 36.8 Ų | 36.8 | 44% | 0.44 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -85.1 | -22.5 | 7.9 | -71.5 | 166.8 | 0 | 0 | 0 | 114.9 | D72 Q81 T118 H121 | D72-L74 CarbonylContact O-C 3.4Å; D72-L74 PolarHBondContact O-N 2.71Å; L74-Q81 HydrophobicContact CD1-CG 4.45Å; L74-Q81 HydrophobicContact CD2-CG 4.46Å; L74-Q81 HydrophobicContact CG-CG 3.98Å; L74-T118 VanDerWaalsContact O-CB 3.22Å; L74-T118 WeakPolarHBondContact O-CB 3.4Å; L74-T118 WeakPolarHBondContact O-CG2 2.55Å; L74-H121 PolarHBondContact O-CE1 2.84Å; L74-H121 VanDerWaalsContact O-CE1 3.27Å; L74-H121 PolarHBondContact O-NE2 3.14Å |
| 75 | S | 91.2 | Very high | 93.3 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -155.8 | 152.5 | 173.4 | 56.1 | 0 | 0 | 0 | 0 | 109 | D72 E77 N78 P79 | D72-S75 CarbonylContact O-C 3.38Å; D72-S75 WeakPolarHBondContact O-CA 3.32Å; D72-S75 PolarHBondContact O-N 3.45Å; S75-E77 PolarHBondContact O-N 3.11Å; S75-N78 CarbonylContact O-C 3.6Å; S75-N78 WeakPolarHBondContact O-CA 3.44Å; S75-N78 PolarHBondContact O-N 2.74Å; S75-N78 PolarHBondContact OG-N 3.28Å; S75-P79 WeakPolarHBondContact O-CA 3.44Å |
| 76 | R | 88.9 | Confident | 93.3 | Very high | 125 Ų | 125 | 37.1 Ų | 37.1 | 47% | 0.472 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.8 | 179.9 | -172.8 | 169.9 | -179.2 | -175.9 | 1.1 | 113.1 | D72 N78 | D72-R76 HydrophobicContact CB-CB 4.08Å; D72-R76 PolarHBondContact O-N 3.38Å; R76-N78 VanDerWaalsContact C-N 3.29Å |
| 77 | E | 90.5 | Very high | 93.4 | Very high | 153 Ų | 153 | 37.3 Ų | 37.3 | 72% | 0.715 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -23.6 | 175.8 | -60.8 | 76.8 | -167.9 | 0 | 0 | 112.9 | S75 | S75-E77 PolarHBondContact O-N 3.11Š|
| 78 | N | 91.7 | Very high | 93.5 | Very high | 90 Ų | 90 | 37.3 Ų | 37.3 | 48% | 0.481 | 19% | 0.189 | S | C | . | . | B | Isolated β-bridge | trans | -145.9 | 72.6 | -179.6 | -172.4 | 22.2 | 0 | 0 | 0 | 112 | S75 R76 C80 | S75-N78 CarbonylContact O-C 3.6Å; S75-N78 WeakPolarHBondContact O-CA 3.44Å; S75-N78 PolarHBondContact O-N 2.74Å; S75-N78 PolarHBondContact OG-N 3.28Å; R76-N78 VanDerWaalsContact C-N 3.29Å; N78-C80 VanDerWaalsContact CG-SG 3.57Å; N78-C80 PolarHBondContact O-N 3.38Å; N78-C80 PolarHBondContact OD1-SG 2.97Å |
| 79 | P | 91.2 | Very high | 93.5 | Very high | 60 Ų | 60 | 37.3 Ų | 37.3 | 39% | 0.39 | 19% | 0.189 | S | C | . | . | trans | -80 | 51.4 | -171.5 | 33.2 | -36.7 | 0 | 0 | 0 | 112.5 | N73 S75 Q81 A82 | N73-P79 CarbonylContact O-C 3.12Å; N73-P79 VanDerWaalsContact O-CA 3.28Å; N73-P79 WeakPolarHBondContact O-CA 3.43Å; S75-P79 WeakPolarHBondContact O-CA 3.44Å; P79-Q81 PolarHBondContact O-N 3.04Å; P79-Q81 VanDerWaalsContact O-N 3.1Å; P79-A82 HydrophobicContact CB-CB 3.74Å; P79-A82 VanDerWaalsContact O-CB 3.31Å; P79-A82 WeakPolarHBondContact O-CB 3.33Å; P79-A82 PolarHBondContact O-N 3.22Å | ||
| 80 | C | 91.2 | Very high | 93.5 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.5 | -174.7 | -82.7 | 0 | 0 | 0 | 0 | 115.3 | N73 N78 K145 | N73-C80 PolarHBondContact O-N 3.09Å; N78-C80 VanDerWaalsContact CG-SG 3.57Å; N78-C80 PolarHBondContact O-N 3.38Å; N78-C80 PolarHBondContact OD1-SG 2.97Å; C80-K145 VanDerWaalsContact O-CE 3.27Å; C80-K145 WeakPolarHBondContact O-CE 3.47Å |
| 81 | Q | 92.2 | Very high | 93.6 | Very high | 63 Ų | 63 | 39.1 Ų | 39.1 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 4.7 | -178.9 | -60.7 | -63.5 | -59.5 | 0 | 0 | 112.2 | N73 L74 P79 E83 W84 A144 K145 | N73-Q81 HydrophobicContact CB-CB 4.17Å; N73-Q81 CarbonylContact O-C 3.41Å; N73-Q81 WeakPolarHBondContact O-CA 2.96Å; N73-Q81 PolarHBondContact O-N 2.83Å; L74-Q81 HydrophobicContact CD1-CG 4.45Å; L74-Q81 HydrophobicContact CD2-CG 4.46Å; L74-Q81 HydrophobicContact CG-CG 3.98Å; P79-Q81 PolarHBondContact O-N 3.04Å; P79-Q81 VanDerWaalsContact O-N 3.1Å; Q81-E83 CarbonylContact O-C 3.08Å; Q81-W84 HydrophobicContact CB-CE3 4.08Å; Q81-W84 HydrophobicContact CB-CZ3 4.48Å; Q81-A144 HydrophobicContact CB-CB 4.26Å; Q81-K145 PolarHBondContact O-N 2.62Å |
| 82 | A | 93.4 | Very high | 93.6 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | trans | -74.3 | 144.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P71 N73 P79 K147 | P71-A82 WeakPolarHBondContact O-CB 3.42Å; N73-A82 PolarHBondContact O-N 2.81Å; P79-A82 HydrophobicContact CB-CB 3.74Å; P79-A82 VanDerWaalsContact O-CB 3.31Å; P79-A82 WeakPolarHBondContact O-CB 3.33Å; P79-A82 PolarHBondContact O-N 3.22Å; A82-K147 PolarHBondContact O-NZ 2.96Å | ||
| 83 | E | 94.9 | Very high | 93.7 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | S | Bend | cis | -82.1 | 137.9 | -6.3 | -58.7 | 152.8 | -144 | 0 | 0 | 109.1 | I69 P71 Q81 K145 F146 T148 | I69-E83 HydrophobicContact CD1-CG 4.35Å; P71-E83 HydrophobicContact CB-CG 4.48Å; Q81-E83 CarbonylContact O-C 3.08Å; E83-K145 PolarHBondContact O-N 3.05Å; E83-F146 WeakPolarHBondContact CB-O 3.11Å; E83-F146 PolarHBondContact N-O 2.79Å; E83-F146 VanDerWaalsContact N-O 3.14Å; E83-F146 WeakPolarHBondContact O-CB 3.17Å; E83-F146 PolarHBondContact O-N 3.48Å; E83-T148 PolarHBondContact OE1-N 3.44Å; E83-T148 WeakPolarHBondContact OE2-CB 3.26Å; E83-T148 PolarHBondContact OE2-N 3.13Å; E83-T148 PolarHBondContact OE2-OG1 3.1Å |
| 84 | W | 96.1 | Very high | 93.7 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 21% | 0.212 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.1 | 174.5 | -176.1 | -80.9 | 0 | 0 | 0 | 110 | I69 D70 N73 Q81 Q86 M110 R143 A144 | I69-W84 CarbonylContact C-O 3.6Å; I69-W84 WeakPolarHBondContact CA-O 3.41Å; D70-W84 HydrophobicContact CB-CB 4.2Å; D70-W84 PolarHBondContact N-O 3.3Å; D70-W84 PolarHBondContact O-N 2.86Å; N73-W84 HydrophobicContact CB-CB 3.67Å; N73-W84 HydrophobicContact CB-CG 4.39Å; Q81-W84 HydrophobicContact CB-CE3 4.08Å; Q81-W84 HydrophobicContact CB-CZ3 4.48Å; W84-Q86 PolarHBondContact O-N 2.86Å; W84-M110 HydrophobicContact CZ2-SD 4.3Å; W84-R143 WeakPolarHBondContact CA-O 3.5Å; W84-R143 HydrophobicContact CD2-CB 3.9Å; W84-R143 HydrophobicContact CE3-CB 4.43Å; W84-R143 HydrophobicContact CG-CB 4.34Å; W84-R143 HydrophobicContact CH2-CB 4.36Å; W84-R143 HydrophobicContact CZ2-CB 3.81Å; W84-R143 HydrophobicContact CZ2-CG 4.5Å; W84-A144 HydrophobicContact CE3-CB 3.65Å; W84-A144 HydrophobicContact CZ3-CB 3.63Å |
| 85 | I | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 114.4 | 179.1 | -172.9 | 78.6 | 0 | 0 | 0 | 110.9 | L67 M68 I69 W87 M88 I140 R143 F146 | L67-I85 HydrophobicContact CB-CD1 3.92Å; L67-I85 HydrophobicContact CD1-CD1 4.45Å; L67-I85 HydrophobicContact CD2-CD1 4.01Å; L67-I85 HydrophobicContact CG-CD1 4.34Å; M68-I85 WeakPolarHBondContact O-CD1 3.47Å; I69-I85 HydrophobicContact CG2-CD1 3.64Å; I85-W87 WeakPolarHBondContact CD1-O 3.48Å; I85-M88 HydrophobicContact CD1-CB 4.41Å; I85-M88 HydrophobicContact CD1-CE 4.05Å; I85-M88 HydrophobicContact CG1-CB 4.21Å; I85-M88 HydrophobicContact CG1-CE 4.1Å; I85-I140 HydrophobicContact CG2-CD1 3.33Å; I85-R143 HydrophobicContact CG2-CB 3.93Å; I85-R143 HydrophobicContact CG2-CG 4.04Å; I85-R143 PolarHBondContact N-O 2.75Å; I85-R143 WeakPolarHBondContact O-CD 3.43Å; I85-R143 WeakPolarHBondContact O-CG 3.34Å; I85-R143 PolarHBondContact O-NH1 3.29Å; I85-F146 HydrophobicContact CB-CB 4.29Å; I85-F146 HydrophobicContact CB-CG 4.28Å; I85-F146 HydrophobicContact CD1-CD1 4.47Å; I85-F146 HydrophobicContact CD1-CE1 4.46Å; I85-F146 HydrophobicContact CG2-CB 4.41Å |
| 86 | Q | 95.6 | Very high | 94.1 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -36.8 | 177.5 | -66.7 | -71.2 | 61.7 | 0 | 0 | 112.2 | M68 D70 W84 Y109 M110 F123 R143 | M68-Q86 HydrophobicContact CB-CB 4.15Å; M68-Q86 HydrophobicContact CE-CB 4.45Å; M68-Q86 HydrophobicContact CG-CB 3.92Å; M68-Q86 WeakPolarHBondContact O-CA 3.33Å; M68-Q86 WeakPolarHBondContact O-CB 3.1Å; M68-Q86 PolarHBondContact O-N 2.88Å; M68-Q86 HydrophobicContact SD-CB 3.79Å; D70-Q86 HydrophobicContact CB-CG 4.28Å; W84-Q86 PolarHBondContact O-N 2.86Å; Q86-Y109 CarbonylContact O-C 3.52Å; Q86-M110 PolarHBondContact O-N 3.13Å; Q86-M110 PolarHBondContact OE1-SD 3.16Å; Q86-F123 HydrophobicContact CG-CD1 3.97Å; Q86-F123 HydrophobicContact CG-CE1 4.05Å; Q86-F123 VanDerWaalsContact NE2-CE1 3.26Å; Q86-R143 VanDerWaalsContact C-NH1 3.31Å; Q86-R143 PolarHBondContact O-NH1 3.45Å |
| 87 | W | 97.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 138.8 | -178.4 | -166.5 | 17.3 | 0 | 0 | 0 | 110.6 | A51 P52 I54 L66 L67 M68 I85 V89 M102 H105 V107 Y109 F125 | A51-W87 HydrophobicContact CB-CH2 4.1Å; A51-W87 HydrophobicContact CB-CZ2 4.3Å; A51-W87 HydrophobicContact CB-CZ3 4.33Å; P52-W87 HydrophobicContact CG-CZ3 4.31Å; I54-W87 HydrophobicContact CG1-CH2 4.28Å; I54-W87 HydrophobicContact CG1-CZ3 3.96Å; L66-W87 HydrophobicContact CD2-CD2 4.14Å; L66-W87 HydrophobicContact CD2-CE3 3.58Å; L66-W87 HydrophobicContact CD2-CH2 3.83Å; L66-W87 HydrophobicContact CD2-CZ2 4.34Å; L66-W87 HydrophobicContact CD2-CZ3 3.42Å; L66-W87 VanDerWaalsContact CD2-CZ3 3.42Å; L67-W87 CarbonylContact C-O 3.47Å; L67-W87 VanDerWaalsContact CA-O 3.32Å; L67-W87 WeakPolarHBondContact CA-O 3.33Å; M68-W87 HydrophobicContact CB-CB 3.65Å; M68-W87 PolarHBondContact N-O 3.29Å; M68-W87 PolarHBondContact O-N 3.49Å; M68-W87 VanDerWaalsContact O-N 3.11Å; M68-W87 HydrophobicContact SD-CB 4.46Å; I85-W87 WeakPolarHBondContact CD1-O 3.48Å; W87-V89 HydrophobicContact CD2-CG2 4.27Å; W87-V89 VanDerWaalsContact CE2-CG2 3.44Å; W87-V89 HydrophobicContact CG-CG2 4.5Å; W87-V89 HydrophobicContact CZ2-CG2 3.72Å; W87-M102 HydrophobicContact CH2-CG 3.78Å; W87-M102 HydrophobicContact CH2-SD 3.97Å; W87-M102 HydrophobicContact CZ2-CB 4.32Å; W87-M102 HydrophobicContact CZ2-CG 3.71Å; W87-M102 HydrophobicContact CZ2-SD 4.15Å; W87-H105 AromaticContact CD1-ND1 3.84Å; W87-H105 AromaticContact CE2-CE1 3.81Å; W87-H105 AromaticContact CE2-ND1 3.97Å; W87-H105 AromaticContact CZ2-CE1 3.77Å; W87-H105 AromaticContact NE1-CE1 3.25Å; W87-H105 PolarHBondContact NE1-CE1 3.24Å; W87-H105 AromaticContact NE1-ND1 2.97Å; W87-H105 PolarHBondContact NE1-ND1 2.92Å; W87-V107 VanDerWaalsContact CD1-O 3.26Å; W87-Y109 HydrophobicContact CB-CD2 4.09Å; W87-Y109 AromaticContact CD2-CD2 3.84Å; W87-Y109 HydrophobicContact CD2-CD2 3.84Å; W87-Y109 AromaticContact CE3-CD2 3.74Å; W87-Y109 HydrophobicContact CE3-CD2 3.74Å; W87-Y109 HydrophobicContact CE3-CE2 4.39Å; W87-Y109 HydrophobicContact CG-CD2 4.01Å; W87-Y109 HydrophobicContact CZ3-CD2 4.44Å; W87-F125 AromaticContact CE3-CE1 3.93Å; W87-F125 HydrophobicContact CE3-CE1 3.93Å; W87-F125 HydrophobicContact CZ3-CE1 4.14Å |
| 88 | M | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 114.3 | 174.3 | -178.4 | 178.2 | -71.7 | 0 | 0 | 110.1 | L66 L67 I85 L90 L106 V107 F146 | L66-M88 CarbonylContact O-C 3.56Å; L66-M88 VanDerWaalsContact O-CA 3.31Å; L66-M88 WeakPolarHBondContact O-CA 3.41Å; L67-M88 HydrophobicContact CD2-CB 3.97Å; L67-M88 HydrophobicContact CD2-CE 3.46Å; L67-M88 VanDerWaalsContact CD2-CE 3.46Å; L67-M88 HydrophobicContact CD2-CG 3.48Å; L67-M88 VanDerWaalsContact CD2-CG 3.48Å; L67-M88 HydrophobicContact CD2-SD 4.16Å; I85-M88 HydrophobicContact CD1-CB 4.41Å; I85-M88 HydrophobicContact CD1-CE 4.05Å; I85-M88 HydrophobicContact CG1-CB 4.21Å; I85-M88 HydrophobicContact CG1-CE 4.1Å; M88-L90 HydrophobicContact CG-CD2 3.85Å; M88-L90 HydrophobicContact CG-CG 4.14Å; M88-L90 HydrophobicContact SD-CD2 4.4Å; M88-L106 HydrophobicContact CG-CB 4.15Å; M88-L106 PolarHBondContact O-N 3.04Å; M88-L106 HydrophobicContact SD-CB 4.19Å; M88-L106 HydrophobicContact SD-CD2 3.73Å; M88-L106 HydrophobicContact SD-CG 4.29Å; M88-V107 HydrophobicContact CB-CB 3.7Å; M88-V107 HydrophobicContact CB-CG2 3.77Å; M88-V107 PolarHBondContact N-O 2.75Å; M88-V107 PolarHBondContact O-N 3.15Å; M88-V107 HydrophobicContact SD-CG2 4.32Å; M88-F146 HydrophobicContact CE-CD2 4.42Å; M88-F146 HydrophobicContact CE-CE1 4.34Å; M88-F146 HydrophobicContact CE-CE2 3.57Å; M88-F146 HydrophobicContact CE-CZ 3.51Å |
| 89 | V | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128 | 174.6 | -171 | 0 | 0 | 0 | 0 | 107.7 | S65 L66 W87 I92 M102 | S65-V89 CarbonylContact C-O 3.57Å; S65-V89 VanDerWaalsContact CA-O 3.28Å; S65-V89 WeakPolarHBondContact CA-O 3.48Å; L66-V89 HydrophobicContact CB-CB 4.35Å; L66-V89 PolarHBondContact N-O 3.1Å; L66-V89 PolarHBondContact O-N 3.31Å; W87-V89 HydrophobicContact CD2-CG2 4.27Å; W87-V89 VanDerWaalsContact CE2-CG2 3.44Å; W87-V89 HydrophobicContact CG-CG2 4.5Å; W87-V89 HydrophobicContact CZ2-CG2 3.72Å; V89-I92 HydrophobicContact CB-CD1 4.14Å; V89-I92 HydrophobicContact CB-CG1 4.41Å; V89-I92 HydrophobicContact CG1-CD1 3.83Å; V89-I92 HydrophobicContact CG1-CG1 3.65Å; V89-M102 HydrophobicContact CG1-CB 4.3Å |
| 90 | L | 95.2 | Very high | 94.3 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 148.5 | -175.9 | -57.2 | -176.5 | 0 | 0 | 0 | 111.2 | M88 I92 S103 K104 L106 Q137 F151 | M88-L90 HydrophobicContact CG-CD2 3.85Å; M88-L90 HydrophobicContact CG-CG 4.14Å; M88-L90 HydrophobicContact SD-CD2 4.4Å; L90-I92 PolarHBondContact O-N 3.37Å; L90-S103 PolarHBondContact O-OG 3.24Å; L90-K104 PolarHBondContact N-O 3.14Å; L90-L106 HydrophobicContact CD1-CB 4.27Å; L90-L106 HydrophobicContact CD1-CD2 3.61Å; L90-L106 HydrophobicContact CG-CB 4.37Å; L90-L106 HydrophobicContact CG-CD2 4.49Å; L90-Q137 HydrophobicContact CD1-CB 3.5Å; L90-Q137 HydrophobicContact CD1-CG 4.12Å; L90-F151 HydrophobicContact CD2-CE2 4.44Å; L90-F151 HydrophobicContact CD2-CZ 3.96Å |
| 91 | N | 95.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 29.3 Ų | 29.3 | 17% | 0.166 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.2 | 42.6 | 169.1 | -50 | -42.3 | 0 | 0 | 0 | 113.5 | Y63 Y64 S65 P93 H130 K134 L135 | Y63-N91 HydrophobicContact CD1-CB 4.44Å; Y64-N91 CarbonylContact O-C 3.58Å; Y64-N91 PolarHBondContact O-N 3.18Å; Y64-N91 VanDerWaalsContact O-N 3.15Å; S65-N91 PolarHBondContact OG-N 2.81Å; S65-N91 VanDerWaalsContact OG-N 3.16Å; N91-P93 VanDerWaalsContact O-CD 3.31Å; N91-P93 WeakPolarHBondContact O-CD 3.49Å; N91-H130 PolarHBondContact OD1-CE1 3.2Å; N91-H130 VanDerWaalsContact OD1-CE1 3.26Å; N91-K134 HydrophobicContact CB-CB 4.31Å; N91-K134 HydrophobicContact CB-CD 4.33Å; N91-K134 HydrophobicContact CB-CG 4.07Å; N91-K134 WeakPolarHBondContact OD1-CA 3.45Å; N91-L135 PolarHBondContact ND2-O 2.92Å; N91-L135 PolarHBondContact OD1-N 3.14Å |
| 92 | I | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 118.1 | 169.2 | -48.2 | 167.1 | 0 | 0 | 0 | 108.1 | Y63 Y64 L66 V89 L90 A96 I97 M101 M102 S103 L127 | Y63-I92 CarbonylContact C-O 3.58Å; Y63-I92 WeakPolarHBondContact CA-O 3.48Å; Y64-I92 PolarHBondContact N-O 3.39Å; Y64-I92 WeakPolarHBondContact O-CA 3.5Å; Y64-I92 WeakPolarHBondContact O-CB 3.46Å; Y64-I92 WeakPolarHBondContact O-CG1 3.27Å; Y64-I92 PolarHBondContact O-N 2.69Å; L66-I92 HydrophobicContact CB-CD1 4.26Å; V89-I92 HydrophobicContact CB-CD1 4.14Å; V89-I92 HydrophobicContact CB-CG1 4.41Å; V89-I92 HydrophobicContact CG1-CD1 3.83Å; V89-I92 HydrophobicContact CG1-CG1 3.65Å; L90-I92 PolarHBondContact O-N 3.37Å; I92-A96 HydrophobicContact CG2-CB 4Å; I92-I97 HydrophobicContact CD1-CD1 4.15Å; I92-I97 HydrophobicContact CG2-CB 3.76Å; I92-I97 HydrophobicContact CG2-CD1 4.38Å; I92-M101 WeakPolarHBondContact CG2-O 3.38Å; I92-M102 HydrophobicContact CD1-CE 4.25Å; I92-M102 HydrophobicContact CD1-SD 3.81Å; I92-S103 WeakPolarHBondContact CA-OG 3.34Å; I92-S103 WeakPolarHBondContact CG1-OG 3.37Å; I92-S103 PolarHBondContact N-OG 2.83Å; I92-L127 HydrophobicContact CD1-CD1 4.38Å |
| 93 | P | 95 | Very high | 92.9 | Very high | 41 Ų | 41 | 29.4 Ų | 29.4 | 27% | 0.266 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 152.4 | 173.9 | -25.7 | 37.7 | 0 | 0 | 0 | 112.6 | Y63 N91 D95 A96 I97 | Y63-P93 HydrophobicContact CD1-CG 4.43Å; Y63-P93 HydrophobicContact CE1-CG 4.22Å; N91-P93 VanDerWaalsContact O-CD 3.31Å; N91-P93 WeakPolarHBondContact O-CD 3.49Å; P93-D95 VanDerWaalsContact C-N 3.33Å; P93-D95 WeakPolarHBondContact CB-OD1 3.4Å; P93-D95 PolarHBondContact O-N 3.5Å; P93-A96 HydrophobicContact CB-CB 4.25Å; P93-A96 HydrophobicContact CG-CB 4.46Å; P93-A96 WeakPolarHBondContact O-CB 3.1Å; P93-A96 PolarHBondContact O-N 2.83Å; P93-A96 VanDerWaalsContact O-N 3.14Å; P93-I97 PolarHBondContact O-N 2.99Å |
| 94 | H | 93.1 | Very high | 92.3 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -54.6 | -41.1 | -178.2 | 74 | -72.9 | 0 | 0 | 0 | 114.9 | R59 H62 Y64 I97 A98 | R59-H94 WeakPolarHBondContact O-CB 3.35Å; H62-H94 PolarHBondContact O-N 2.81Å; Y64-H94 HydrophobicContact CE2-CB 3.98Å; H94-I97 WeakPolarHBondContact O-CG2 3.18Å; H94-A98 WeakPolarHBondContact O-CB 3.48Å; H94-A98 PolarHBondContact O-N 2.96Å; H94-A98 VanDerWaalsContact O-N 3.09Å |
| 95 | D | 94.5 | Very high | 92 | Very high | 95 Ų | 95 | 38.3 Ų | 38.3 | 51% | 0.508 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.8 | -39.2 | 177.6 | 58.6 | -35 | 0 | 0 | 0 | 111.4 | P93 A98 A99 | P93-D95 VanDerWaalsContact C-N 3.33Å; P93-D95 WeakPolarHBondContact CB-OD1 3.4Å; P93-D95 PolarHBondContact O-N 3.5Å; D95-A98 PolarHBondContact O-N 3.24Å; D95-A99 WeakPolarHBondContact O-CB 3.38Å; D95-A99 PolarHBondContact O-N 2.92Å |
| 96 | A | 95.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 12% | 0.116 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.2 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I92 P93 A98 A99 G100 M101 | I92-A96 HydrophobicContact CG2-CB 4Å; P93-A96 HydrophobicContact CB-CB 4.25Å; P93-A96 HydrophobicContact CG-CB 4.46Å; P93-A96 WeakPolarHBondContact O-CB 3.1Å; P93-A96 PolarHBondContact O-N 2.83Å; P93-A96 VanDerWaalsContact O-N 3.14Å; A96-A98 VanDerWaalsContact C-N 3.33Å; A96-A98 PolarHBondContact O-N 3.49Å; A96-A99 CarbonylContact O-C 3.58Å; A96-A99 PolarHBondContact O-N 3.12Å; A96-G100 PolarHBondContact O-N 2.79Å; A96-M101 CarbonylContact C-O 3.04Å; A96-M101 HydrophobicContact CB-CB 4.34Å; A96-M101 PolarHBondContact O-N 2.82Å |
| 97 | I | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -35.3 | 178 | -170.3 | 63.2 | 0 | 0 | 0 | 111.6 | I54 S55 Y56 Y64 I92 P93 H94 A99 G100 M102 L127 | I54-I97 HydrophobicContact CG2-CD1 4.17Å; S55-I97 WeakPolarHBondContact CA-O 2.82Å; Y56-I97 PolarHBondContact N-O 3.33Å; Y56-I97 CarbonylContact O-C 3.5Å; Y64-I97 HydrophobicContact CD2-CB 4.41Å; Y64-I97 HydrophobicContact CD2-CG2 3.51Å; Y64-I97 HydrophobicContact CE2-CG2 3.94Å; Y64-I97 HydrophobicContact CG-CG2 3.96Å; I92-I97 HydrophobicContact CD1-CD1 4.15Å; I92-I97 HydrophobicContact CG2-CB 3.76Å; I92-I97 HydrophobicContact CG2-CD1 4.38Å; P93-I97 PolarHBondContact O-N 2.99Å; H94-I97 WeakPolarHBondContact O-CG2 3.18Å; I97-A99 VanDerWaalsContact C-N 3.34Å; I97-G100 PolarHBondContact O-N 2.51Å; I97-M102 HydrophobicContact CD1-CE 3.62Å; I97-L127 HydrophobicContact CD1-CD1 4.14Å; I97-L127 HydrophobicContact CD1-CD2 4.26Å; I97-L127 HydrophobicContact CG1-CD2 4.14Å |
| 98 | A | 91.4 | Very high | 91.8 | Very high | 44 Ų | 44 | 42.3 Ų | 42.3 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y56 H94 D95 A96 G100 | Y56-A98 WeakPolarHBondContact O-CA 3.37Å; Y56-A98 PolarHBondContact O-N 3.47Å; H94-A98 WeakPolarHBondContact O-CB 3.48Å; H94-A98 PolarHBondContact O-N 2.96Å; H94-A98 VanDerWaalsContact O-N 3.09Å; D95-A98 PolarHBondContact O-N 3.24Å; A96-A98 VanDerWaalsContact C-N 3.33Å; A96-A98 PolarHBondContact O-N 3.49Å; A98-G100 PolarHBondContact O-N 3.49Å |
| 99 | A | 91.5 | Very high | 91.7 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 33% | 0.331 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.6 | -9.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R53 D95 A96 I97 M101 | R53-A99 PolarHBondContact NE-O 2.85Å; R53-A99 PolarHBondContact NH2-O 2.91Å; D95-A99 WeakPolarHBondContact O-CB 3.38Å; D95-A99 PolarHBondContact O-N 2.92Å; A96-A99 CarbonylContact O-C 3.58Å; A96-A99 PolarHBondContact O-N 3.12Å; I97-A99 VanDerWaalsContact C-N 3.34Å; A99-M101 VanDerWaalsContact C-N 3.32Å; A99-M101 HydrophobicContact CB-CE 3.72Å; A99-M101 HydrophobicContact CB-CG 4.04Å; A99-M101 HydrophobicContact CB-SD 4.49Å |
| 100 | G | 88.8 | Confident | 91.6 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 27.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I54 A96 I97 A98 | I54-G100 WeakPolarHBondContact O-CA 2.93Å; A96-G100 PolarHBondContact O-N 2.79Å; I97-G100 PolarHBondContact O-N 2.51Å; A98-G100 PolarHBondContact O-N 3.49Å |
| 101 | M | 84.2 | Confident | 91.5 | Very high | 114 Ų | 114 | 50.2 Ų | 50.2 | 56% | 0.562 | 28% | 0.281 | S | S | * | . | trans | -94.6 | 127.4 | 175.8 | -63.7 | -169.8 | -68.4 | 0 | 0 | 110.2 | I92 A96 A99 | I92-M101 WeakPolarHBondContact CG2-O 3.38Å; A96-M101 CarbonylContact C-O 3.04Å; A96-M101 HydrophobicContact CB-CB 4.34Å; A96-M101 PolarHBondContact O-N 2.82Å; A99-M101 VanDerWaalsContact C-N 3.32Å; A99-M101 HydrophobicContact CB-CE 3.72Å; A99-M101 HydrophobicContact CB-CG 4.04Å; A99-M101 HydrophobicContact CB-SD 4.49Å | ||
| 102 | M | 84.6 | Confident | 91.3 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 22% | 0.222 | 27% | 0.273 | C | S | . | . | trans | -91.1 | 137.3 | 179.3 | -60.3 | -65.2 | 107.9 | 0 | 0 | 110.1 | I54 L66 W87 V89 I92 I97 | I54-M102 HydrophobicContact CB-CE 3.93Å; I54-M102 HydrophobicContact CB-SD 4.43Å; I54-M102 WeakPolarHBondContact O-CE 3.16Å; L66-M102 HydrophobicContact CD2-SD 4.18Å; W87-M102 HydrophobicContact CH2-CG 3.78Å; W87-M102 HydrophobicContact CH2-SD 3.97Å; W87-M102 HydrophobicContact CZ2-CB 4.32Å; W87-M102 HydrophobicContact CZ2-CG 3.71Å; W87-M102 HydrophobicContact CZ2-SD 4.15Å; V89-M102 HydrophobicContact CG1-CB 4.3Å; I92-M102 HydrophobicContact CD1-CE 4.25Å; I92-M102 HydrophobicContact CD1-SD 3.81Å; I97-M102 HydrophobicContact CD1-CE 3.62Å | ||
| 103 | S | 79.4 | Confident | 90.9 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | trans | -88.1 | -142.4 | -179.9 | 70.5 | 0 | 0 | 0 | 0 | 111.2 | L90 I92 H105 | L90-S103 PolarHBondContact O-OG 3.24Å; I92-S103 WeakPolarHBondContact CA-OG 3.34Å; I92-S103 WeakPolarHBondContact CG1-OG 3.37Å; I92-S103 PolarHBondContact N-OG 2.83Å; S103-H105 PolarHBondContact O-CD2 3.45Å; S103-H105 PolarHBondContact O-N 3.47Å | ||
| 104 | K | 82.3 | Confident | 90.5 | Very high | 169 Ų | 169 | 50.4 Ų | 50.4 | 74% | 0.735 | 29% | 0.291 | S | S | * | . | trans | -67.6 | 115.6 | -177.3 | -174.4 | 178.8 | 179.3 | 179.5 | 0 | 111 | L90 L106 | L90-K104 PolarHBondContact N-O 3.14Å; K104-L106 PolarHBondContact O-N 2.99Å | ||
| 105 | H | 90.3 | Very high | 90.3 | Very high | 86 Ų | 86 | 53.7 Ų | 53.7 | 40% | 0.398 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 123.8 | 170.5 | -62.2 | -112.5 | 0 | 0 | 0 | 109.4 | W87 S103 | W87-H105 AromaticContact CD1-ND1 3.84Å; W87-H105 AromaticContact CE2-CE1 3.81Å; W87-H105 AromaticContact CE2-ND1 3.97Å; W87-H105 AromaticContact CZ2-CE1 3.77Å; W87-H105 AromaticContact NE1-CE1 3.25Å; W87-H105 PolarHBondContact NE1-CE1 3.24Å; W87-H105 AromaticContact NE1-ND1 2.97Å; W87-H105 PolarHBondContact NE1-ND1 2.92Å; S103-H105 PolarHBondContact O-CD2 3.45Å; S103-H105 PolarHBondContact O-N 3.47Å |
| 106 | L | 92.9 | Very high | 90 | Very high | 45 Ų | 45 | 53.9 Ų | 53.9 | 24% | 0.236 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -31.8 | 167.1 | -170 | 61.9 | 0 | 0 | 0 | 110.9 | M88 L90 K104 Q137 A139 | M88-L106 HydrophobicContact CG-CB 4.15Å; M88-L106 PolarHBondContact O-N 3.04Å; M88-L106 HydrophobicContact SD-CB 4.19Å; M88-L106 HydrophobicContact SD-CD2 3.73Å; M88-L106 HydrophobicContact SD-CG 4.29Å; L90-L106 HydrophobicContact CD1-CB 4.27Å; L90-L106 HydrophobicContact CD1-CD2 3.61Å; L90-L106 HydrophobicContact CG-CB 4.37Å; L90-L106 HydrophobicContact CG-CD2 4.49Å; K104-L106 PolarHBondContact O-N 2.99Å; L106-Q137 HydrophobicContact CD2-CB 3.92Å; L106-Q137 HydrophobicContact CD2-CG 3.52Å; L106-Q137 WeakPolarHBondContact CD2-O 3.05Å; L106-A139 HydrophobicContact CD1-CB 4.36Å |
| 107 | V | 95.7 | Very high | 89.5 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 122.7 | 170.8 | -176.8 | 0 | 0 | 0 | 0 | 106.8 | W87 M88 I140 R143 | W87-V107 VanDerWaalsContact CD1-O 3.26Å; M88-V107 HydrophobicContact CB-CB 3.7Å; M88-V107 HydrophobicContact CB-CG2 3.77Å; M88-V107 PolarHBondContact N-O 2.75Å; M88-V107 PolarHBondContact O-N 3.15Å; M88-V107 HydrophobicContact SD-CG2 4.32Å; V107-I140 HydrophobicContact CG2-CD1 3.4Å; V107-I140 VanDerWaalsContact CG2-CD1 3.4Å; V107-I140 HydrophobicContact CG2-CG1 3.78Å; V107-R143 HydrophobicContact CG1-CG 4.49Å |
| 108 | G | 95.3 | Very high | 89.4 | Confident | 38 Ų | 38 | 66 Ų | 66 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | trans | -66 | 150.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M110 R143 | G108-M110 PolarHBondContact O-N 3.1Å; G108-R143 PolarHBondContact O-NH1 3.04Å; G108-R143 PolarHBondContact O-NH2 2.85Å | ||
| 109 | Y | 95.6 | Very high | 89.2 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 17% | 0.169 | 36% | 0.364 | C | S | . | . | trans | -57.1 | 127.2 | 175.8 | -179.6 | -93.8 | 0 | 0 | 0 | 110.4 | Y31 V48 A51 M68 Q86 W87 V111 P112 | Y31-Y109 PolarHBondContact OH-OH 3.06Å; V48-Y109 PolarHBondContact O-OH 3.23Å; A51-Y109 HydrophobicContact CB-CD1 4.01Å; A51-Y109 HydrophobicContact CB-CD2 3.76Å; A51-Y109 HydrophobicContact CB-CE2 4.28Å; A51-Y109 HydrophobicContact CB-CG 3.61Å; M68-Y109 HydrophobicContact CE-CE2 4.18Å; M68-Y109 HydrophobicContact SD-CD2 4.02Å; M68-Y109 HydrophobicContact SD-CE2 3.47Å; M68-Y109 WeakPolarHBondContact SD-CE2 3.5Å; Q86-Y109 CarbonylContact O-C 3.52Å; W87-Y109 HydrophobicContact CB-CD2 4.09Å; W87-Y109 AromaticContact CD2-CD2 3.84Å; W87-Y109 HydrophobicContact CD2-CD2 3.84Å; W87-Y109 AromaticContact CE3-CD2 3.74Å; W87-Y109 HydrophobicContact CE3-CD2 3.74Å; W87-Y109 HydrophobicContact CE3-CE2 4.39Å; W87-Y109 HydrophobicContact CG-CD2 4.01Å; W87-Y109 HydrophobicContact CZ3-CD2 4.44Å; Y109-V111 HydrophobicContact CE1-CG2 4.27Å; Y109-P112 WeakPolarHBondContact OH-CD 3.24Å | ||
| 110 | M | 94.8 | Very high | 89.1 | Confident | 74 Ų | 74 | 68 Ų | 68 | 37% | 0.365 | 37% | 0.368 | S | S | . | . | trans | -109.1 | 127.9 | 172.1 | 177.5 | 172.6 | -79.4 | 0 | 0 | 108.2 | W84 Q86 G108 | W84-M110 HydrophobicContact CZ2-SD 4.3Å; Q86-M110 PolarHBondContact O-N 3.13Å; Q86-M110 PolarHBondContact OE1-SD 3.16Å; G108-M110 PolarHBondContact O-N 3.1Å | ||
| 111 | V | 92.3 | Very high | 89.3 | Confident | 61 Ų | 61 | 67.5 Ų | 67.5 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | trans | -58.1 | 129.7 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | T45 R49 Y109 G113 | T45-V111 HydrophobicContact CG2-CG1 4.39Å; R49-V111 WeakPolarHBondContact O-CG2 3.43Å; Y109-V111 HydrophobicContact CE1-CG2 4.27Å; V111-G113 PolarHBondContact O-N 3.16Å; V111-G113 VanDerWaalsContact O-N 3.09Å | ||
| 112 | P | 91.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | trans | -51.9 | 113.3 | 166.5 | -31.3 | 39.2 | 0 | 0 | 0 | 111.1 | T45 V48 M68 Y109 F123 | T45-P112 WeakPolarHBondContact CG2-O 3.15Å; V48-P112 HydrophobicContact CB-CG 4.16Å; V48-P112 HydrophobicContact CG2-CB 3.73Å; V48-P112 HydrophobicContact CG2-CG 3.68Å; M68-P112 HydrophobicContact CE-CG 3.58Å; Y109-P112 WeakPolarHBondContact OH-CD 3.24Å; P112-F123 HydrophobicContact CB-CD1 4.24Å; P112-F123 HydrophobicContact CB-CD2 3.85Å; P112-F123 HydrophobicContact CB-CE1 3.97Å; P112-F123 HydrophobicContact CB-CE2 3.57Å; P112-F123 HydrophobicContact CB-CG 4.18Å; P112-F123 HydrophobicContact CB-CZ 3.63Å; P112-F123 HydrophobicContact CG-CD1 4.22Å; P112-F123 HydrophobicContact CG-CD2 4.29Å; P112-F123 HydrophobicContact CG-CE1 4.36Å; P112-F123 HydrophobicContact CG-CE2 4.44Å; P112-F123 HydrophobicContact CG-CG 4.18Å; P112-F123 HydrophobicContact CG-CZ 4.46Å | ||
| 113 | G | 87.5 | Confident | 90.2 | Very high | 42 Ų | 42 | 60.4 Ų | 60.4 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | trans | -147.9 | 70.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V111 | V111-G113 PolarHBondContact O-N 3.16Å; V111-G113 VanDerWaalsContact O-N 3.09Å | ||
| 114 | P | 87.1 | Confident | 90.8 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -49.7 | 147.8 | 169.9 | -27.1 | 37.5 | 0 | 0 | 0 | 111.7 | H121 F123 | P114-H121 HydrophobicContact CG-CB 3.86Å; P114-F123 HydrophobicContact CG-CE2 3.91Å; P114-F123 HydrophobicContact CG-CZ 3.91Å |
| 115 | Q | 88 | Confident | 91.4 | Very high | 125 Ų | 125 | 50.8 Ų | 50.8 | 58% | 0.584 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 153.6 | 177.4 | -65.6 | -63.4 | -45.2 | 0 | 0 | 110 | R117 T118 | Q115-R117 PolarHBondContact O-N 3.3Å; Q115-T118 HydrophobicContact CB-CG2 3.78Å; Q115-T118 PolarHBondContact N-OG1 3.33Å; Q115-T118 WeakPolarHBondContact O-CG2 3.39Å; Q115-T118 PolarHBondContact O-N 3.02Å; Q115-T118 PolarHBondContact O-OG1 2.8Å |
| 116 | P | 87.5 | Confident | 91.5 | Very high | 99 Ų | 99 | 46.9 Ų | 46.9 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 134.9 | 175.5 | -24.8 | 34.1 | 0 | 0 | 0 | 111.4 | ||
| 117 | R | 86.5 | Confident | 91.5 | Very high | 251 Ų | 251 | 44.8 Ų | 44.8 | 95% | 0.947 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 22 | 179.3 | -49.8 | 168.7 | -76.6 | -173.2 | -5.8 | 115 | Q115 | Q115-R117 PolarHBondContact O-N 3.3Š|
| 118 | T | 89.8 | Confident | 91.3 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -98 | 4.6 | 171.3 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | L74 Q115 H121 | L74-T118 VanDerWaalsContact O-CB 3.22Å; L74-T118 WeakPolarHBondContact O-CB 3.4Å; L74-T118 WeakPolarHBondContact O-CG2 2.55Å; Q115-T118 HydrophobicContact CB-CG2 3.78Å; Q115-T118 PolarHBondContact N-OG1 3.33Å; Q115-T118 WeakPolarHBondContact O-CG2 3.39Å; Q115-T118 PolarHBondContact O-N 3.02Å; Q115-T118 PolarHBondContact O-OG1 2.8Å; T118-H121 WeakPolarHBondContact CB-NE2 3.33Å; T118-H121 PolarHBondContact OG1-NE2 3.02Å |
| 119 | G | 88.9 | Confident | 91.2 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | trans | 72.7 | -164.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 120 | L | 89.7 | Confident | 91 | Very high | 78 Ų | 78 | 41.6 Ų | 41.6 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | trans | -80.2 | 135 | 175.5 | -66.8 | 172.2 | 0 | 0 | 0 | 110.5 | E42 G167 | E42-L120 HydrophobicContact CG-CD1 4.29Å; E42-L120 WeakPolarHBondContact OE1-CD1 3.18Å; L120-G167 CarbonylContact C-O 3.56Å; L120-G167 VanDerWaalsContact CA-O 3.25Å; L120-G167 WeakPolarHBondContact CA-O 3.45Å | ||
| 121 | H | 92.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | trans | -104.6 | 140.2 | 175.9 | -76.4 | -135.8 | 0 | 0 | 0 | 111.5 | D70 D72 L74 P114 T118 F123 H165 S166 G167 | D70-H121 IonicContact OD1-CG 2.69Å; D70-H121 IonicContact OD1-ND1 2.81Å; D70-H121 PolarHBondContact OD1-ND1 2.95Å; D70-H121 IonicContact OD2-CE1 2.85Å; D70-H121 IonicContact OD2-CG 2.69Å; D70-H121 IonicContact OD2-ND1 3.21Å; D70-H121 PolarHBondContact OD2-ND1 2.91Å; D72-H121 HydrophobicContact CB-CB 4.34Å; L74-H121 PolarHBondContact O-CE1 2.84Å; L74-H121 VanDerWaalsContact O-CE1 3.27Å; L74-H121 PolarHBondContact O-NE2 3.14Å; P114-H121 HydrophobicContact CG-CB 3.86Å; T118-H121 WeakPolarHBondContact CB-NE2 3.33Å; T118-H121 PolarHBondContact OG1-NE2 3.02Å; H121-F123 HydrophobicContact CB-CD2 4.27Å; H121-F123 HydrophobicContact CB-CE2 3.61Å; H121-F123 HydrophobicContact CB-CZ 3.84Å; H121-F123 PolarHBondContact O-N 3.41Å; H121-H165 VanDerWaalsContact O-O 3.06Å; H121-S166 VanDerWaalsContact O-CA 3.29Å; H121-S166 WeakPolarHBondContact O-CA 3.02Å; H121-G167 PolarHBondContact N-O 2.82Å; H121-G167 PolarHBondContact O-N 3.17Å; H121-G167 VanDerWaalsContact O-N 3.14Å | ||
| 122 | R | 93.3 | Very high | 90.4 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 75.4 | -179.4 | -60.2 | 172 | -66.9 | 167.6 | 2.6 | 112.1 | A12 I14 D17 P71 D72 T124 Q164 H165 | A12-R122 WeakPolarHBondContact O-CD 3.44Å; A12-R122 PolarHBondContact O-NH1 3.14Å; I14-R122 HydrophobicContact CD1-CB 4.15Å; D17-R122 IonicContact OD2-CZ 3.86Å; D17-R122 IonicContact OD2-NH1 2.97Å; D17-R122 PolarHBondContact OD2-NH1 3.03Å; D17-R122 IonicContact OD2-NH2 3.96Å; D17-R122 PolarHBondContact OD2-NH2 2.76Å; D17-R122 VanDerWaalsContact OD2-NH2 3.17Å; P71-R122 WeakPolarHBondContact CD-O 3.16Å; P71-R122 HydrophobicContact CG-CB 3.97Å; D72-R122 IonicContact OD1-CZ 3.17Å; D72-R122 IonicContact OD1-NE 2.82Å; D72-R122 PolarHBondContact OD1-NE 2.83Å; D72-R122 IonicContact OD1-NH2 2.75Å; D72-R122 PolarHBondContact OD1-NH2 3.44Å; D72-R122 VanDerWaalsContact OD2-CB 3.22Å; D72-R122 WeakPolarHBondContact OD2-CB 3.45Å; D72-R122 WeakPolarHBondContact OD2-CG 3.29Å; D72-R122 IonicContact OD2-CZ 2.97Å; D72-R122 PolarHBondContact OD2-N 2.78Å; D72-R122 IonicContact OD2-NE 3.44Å; D72-R122 PolarHBondContact OD2-NE 3.26Å; R122-T124 PolarHBondContact O-N 3.47Å; R122-T124 VanDerWaalsContact O-N 3.12Å; R122-T124 PolarHBondContact O-OG1 3.22Å; R122-Q164 HydrophobicContact CB-CG 4.43Å; R122-H165 CarbonylContact C-O 3.56Å; R122-H165 WeakPolarHBondContact CA-O 3.22Å |
| 123 | F | 93.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 115.8 | 172.7 | -63.4 | -73.6 | 0 | 0 | 0 | 110.9 | M68 I69 D70 Q86 P112 P114 H121 Q164 H165 | M68-F123 HydrophobicContact CE-CB 3.77Å; M68-F123 HydrophobicContact CE-CD1 4.03Å; M68-F123 HydrophobicContact CE-CG 4.08Å; I69-F123 CarbonylContact O-C 2.8Å; I69-F123 WeakPolarHBondContact O-CA 3.42Å; D70-F123 HydrophobicContact CB-CD1 3.86Å; D70-F123 HydrophobicContact CB-CE1 3.63Å; Q86-F123 HydrophobicContact CG-CD1 3.97Å; Q86-F123 HydrophobicContact CG-CE1 4.05Å; Q86-F123 VanDerWaalsContact NE2-CE1 3.26Å; P112-F123 HydrophobicContact CB-CD1 4.24Å; P112-F123 HydrophobicContact CB-CD2 3.85Å; P112-F123 HydrophobicContact CB-CE1 3.97Å; P112-F123 HydrophobicContact CB-CE2 3.57Å; P112-F123 HydrophobicContact CB-CG 4.18Å; P112-F123 HydrophobicContact CB-CZ 3.63Å; P112-F123 HydrophobicContact CG-CD1 4.22Å; P112-F123 HydrophobicContact CG-CD2 4.29Å; P112-F123 HydrophobicContact CG-CE1 4.36Å; P112-F123 HydrophobicContact CG-CE2 4.44Å; P112-F123 HydrophobicContact CG-CG 4.18Å; P112-F123 HydrophobicContact CG-CZ 4.46Å; P114-F123 HydrophobicContact CG-CE2 3.91Å; P114-F123 HydrophobicContact CG-CZ 3.91Å; H121-F123 HydrophobicContact CB-CD2 4.27Å; H121-F123 HydrophobicContact CB-CE2 3.61Å; H121-F123 HydrophobicContact CB-CZ 3.84Å; H121-F123 PolarHBondContact O-N 3.41Å; F123-Q164 CarbonylContact O-C 3.35Å; F123-H165 HydrophobicContact CB-CB 4.34Å; F123-H165 AromaticContact CD2-CD2 3.83Å; F123-H165 PolarHBondContact N-O 3.17Å; F123-H165 PolarHBondContact O-N 2.97Å |
| 124 | T | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.3 | -170.5 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | I14 M68 I69 R122 L126 A163 | I14-T124 HydrophobicContact CD1-CG2 4.44Å; I14-T124 WeakPolarHBondContact CD1-OG1 3.41Å; I14-T124 HydrophobicContact CG2-CG2 4.05Å; M68-T124 CarbonylContact C-O 3.55Å; M68-T124 WeakPolarHBondContact CA-O 3.14Å; I69-T124 PolarHBondContact N-O 2.88Å; I69-T124 PolarHBondContact O-N 2.86Å; R122-T124 PolarHBondContact O-N 3.47Å; R122-T124 VanDerWaalsContact O-N 3.12Å; R122-T124 PolarHBondContact O-OG1 3.22Å; T124-L126 HydrophobicContact CG2-CD2 3.93Å; T124-L126 HydrophobicContact CG2-CG 4.14Å; T124-A163 WeakPolarHBondContact CA-O 3.13Å |
| 125 | F | 93.8 | Very high | 91 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.5 | 169.8 | -64.8 | -95 | 0 | 0 | 0 | 110.7 | L27 V29 Y31 P52 I54 L66 L67 M68 W87 V162 A163 | L27-F125 HydrophobicContact CD2-CB 4.4Å; V29-F125 HydrophobicContact CG1-CD2 4.32Å; V29-F125 HydrophobicContact CG1-CE2 4.06Å; V29-F125 HydrophobicContact CG1-CZ 4.27Å; V29-F125 HydrophobicContact CG2-CD2 4.48Å; V29-F125 HydrophobicContact CG2-CG 4.46Å; Y31-F125 WeakPolarHBondContact OH-CZ 3.49Å; P52-F125 HydrophobicContact CG-CE1 3.83Å; P52-F125 HydrophobicContact CG-CZ 3.66Å; I54-F125 HydrophobicContact CD1-CD1 4.04Å; I54-F125 HydrophobicContact CD1-CE1 4.15Å; L66-F125 HydrophobicContact CD1-CB 4.48Å; L66-F125 HydrophobicContact CD1-CD1 4.28Å; L67-F125 CarbonylContact O-C 3.54Å; L67-F125 WeakPolarHBondContact O-CA 3.34Å; M68-F125 HydrophobicContact CB-CD1 3.9Å; M68-F125 HydrophobicContact CB-CE1 3.89Å; M68-F125 HydrophobicContact CB-CZ 4.49Å; M68-F125 HydrophobicContact CE-CE1 4.49Å; M68-F125 HydrophobicContact CE-CE2 4.02Å; M68-F125 HydrophobicContact CE-CZ 3.74Å; M68-F125 HydrophobicContact CG-CD1 3.98Å; M68-F125 HydrophobicContact CG-CD2 4.42Å; M68-F125 HydrophobicContact CG-CE1 3.72Å; M68-F125 HydrophobicContact CG-CE2 4.18Å; M68-F125 HydrophobicContact CG-CG 4.33Å; M68-F125 HydrophobicContact CG-CZ 3.82Å; M68-F125 HydrophobicContact SD-CE1 3.67Å; M68-F125 HydrophobicContact SD-CE2 4.22Å; M68-F125 HydrophobicContact SD-CZ 3.49Å; M68-F125 WeakPolarHBondContact SD-CZ 2.9Å; W87-F125 AromaticContact CE3-CE1 3.93Å; W87-F125 HydrophobicContact CE3-CE1 3.93Å; W87-F125 HydrophobicContact CZ3-CE1 4.14Å; F125-V162 WeakPolarHBondContact CB-O 3.25Å; F125-V162 CarbonylContact O-C 3.38Å; F125-A163 HydrophobicContact CB-CB 4.14Å; F125-A163 HydrophobicContact CD2-CB 3.9Å; F125-A163 HydrophobicContact CG-CB 4.42Å; F125-A163 PolarHBondContact N-O 3.04Å; F125-A163 PolarHBondContact O-N 3.07Å |
| 126 | L | 92.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 109.3 | 175.1 | -56.9 | 173.7 | 0 | 0 | 0 | 107 | V18 I19 L66 L67 I69 T124 F128 T148 | V18-L126 HydrophobicContact CG1-CD1 4.02Å; I19-L126 HydrophobicContact CD1-CD2 4.35Å; I19-L126 HydrophobicContact CG2-CD1 4.22Å; L66-L126 CarbonylContact C-O 3.51Å; L67-L126 HydrophobicContact CB-CB 4.43Å; L67-L126 PolarHBondContact N-O 3.35Å; L67-L126 PolarHBondContact O-N 3.05Å; I69-L126 HydrophobicContact CD1-CD1 4.18Å; T124-L126 HydrophobicContact CG2-CD2 3.93Å; T124-L126 HydrophobicContact CG2-CG 4.14Å; L126-F128 HydrophobicContact CB-CE2 3.76Å; L126-F128 HydrophobicContact CB-CZ 3.84Å; L126-F128 HydrophobicContact CD1-CZ 4.23Å; L126-T148 HydrophobicContact CD1-CG2 3.65Å |
| 127 | L | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -81.7 | 175.3 | 167.6 | 176.1 | 78.8 | 0 | 0 | 0 | 107.3 | L27 Y56 Y64 S65 L66 I92 I97 F161 | L27-L127 HydrophobicContact CD1-CB 4.47Å; L27-L127 HydrophobicContact CD1-CD2 3.61Å; L27-L127 HydrophobicContact CD2-CB 3.99Å; Y56-L127 HydrophobicContact CD1-CD2 4.45Å; Y56-L127 HydrophobicContact CG-CD2 4.06Å; Y64-L127 HydrophobicContact CD1-CD2 4.06Å; Y64-L127 HydrophobicContact CD1-CG 4.24Å; S65-L127 CarbonylContact O-C 3.53Å; S65-L127 VanDerWaalsContact O-CA 3.29Å; S65-L127 WeakPolarHBondContact O-CA 3.2Å; L66-L127 HydrophobicContact CB-CD1 3.88Å; L66-L127 HydrophobicContact CD1-CB 3.93Å; L66-L127 HydrophobicContact CD1-CD1 4.19Å; I92-L127 HydrophobicContact CD1-CD1 4.38Å; I97-L127 HydrophobicContact CD1-CD1 4.14Å; I97-L127 HydrophobicContact CD1-CD2 4.26Å; I97-L127 HydrophobicContact CG1-CD2 4.14Å; L127-F161 HydrophobicContact CB-CB 3.9Å; L127-F161 HydrophobicContact CB-CD1 3.05Å; L127-F161 HydrophobicContact CB-CD2 4.21Å; L127-F161 HydrophobicContact CB-CE1 3.43Å; L127-F161 VanDerWaalsContact CB-CE1 3.43Å; L127-F161 HydrophobicContact CB-CG 3.41Å; L127-F161 VanDerWaalsContact CB-CG 3.41Å; L127-F161 HydrophobicContact CB-CZ 4.21Å; L127-F161 HydrophobicContact CD2-CD1 3.54Å; L127-F161 HydrophobicContact CD2-CE1 3.38Å; L127-F161 HydrophobicContact CG-CD1 3.43Å; L127-F161 VanDerWaalsContact CG-CD1 3.43Å; L127-F161 HydrophobicContact CG-CE1 3.23Å; L127-F161 HydrophobicContact CG-CG 4.22Å; L127-F161 HydrophobicContact CG-CZ 4.04Å; L127-F161 VanDerWaalsContact N-CG 3.29Å; L127-F161 WeakPolarHBondContact O-CD2 3.22Å; L127-F161 WeakPolarHBondContact O-CE2 3.21Å; L127-F161 WeakPolarHBondContact O-CG 3.27Å | ||
| 128 | F | 92.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | trans | -153 | 122.4 | -179.6 | -71 | -73.5 | 0 | 0 | 0 | 107.7 | Y64 S65 L67 L126 H130 T148 F151 M152 L157 F161 | Y64-F128 CarbonylContact C-O 3.59Å; Y64-F128 WeakPolarHBondContact CA-O 3.46Å; S65-F128 PolarHBondContact N-O 3.21Å; S65-F128 WeakPolarHBondContact O-CB 3.29Å; S65-F128 WeakPolarHBondContact O-CD2 3.46Å; S65-F128 PolarHBondContact O-N 2.91Å; L67-F128 HydrophobicContact CB-CE2 4.33Å; L67-F128 HydrophobicContact CD1-CD2 4.42Å; L67-F128 HydrophobicContact CD1-CE2 3.62Å; L67-F128 HydrophobicContact CD1-CZ 4.39Å; L67-F128 HydrophobicContact CG-CD2 4.16Å; L67-F128 HydrophobicContact CG-CE2 3.68Å; L126-F128 HydrophobicContact CB-CE2 3.76Å; L126-F128 HydrophobicContact CB-CZ 3.84Å; L126-F128 HydrophobicContact CD1-CZ 4.23Å; F128-H130 PolarHBondContact O-CD2 3.34Å; F128-T148 HydrophobicContact CZ-CG2 4.18Å; F128-F151 HydrophobicContact CD2-CE1 4.15Å; F128-F151 HydrophobicContact CE2-CE1 4.32Å; F128-M152 HydrophobicContact CD1-CG 4.4Å; F128-M152 HydrophobicContact CE1-CE 4.43Å; F128-M152 HydrophobicContact CE1-CG 3.56Å; F128-M152 HydrophobicContact CE1-SD 3.86Å; F128-M152 HydrophobicContact CZ-CG 3.86Å; F128-M152 HydrophobicContact CZ-SD 4.1Å; F128-L157 HydrophobicContact CB-CD1 3.92Å; F128-L157 HydrophobicContact CB-CD2 4.34Å; F128-L157 HydrophobicContact CD1-CB 4.01Å; F128-L157 HydrophobicContact CD1-CD1 4.07Å; F128-L157 HydrophobicContact CD2-CD1 4.44Å; F128-L157 HydrophobicContact CG-CD1 3.86Å; F128-F161 HydrophobicContact CB-CE2 4.36Å; F128-F161 HydrophobicContact CD1-CE2 4.49Å | ||
| 129 | E | 91.4 | Very high | 92 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 132.9 | -177.9 | 179.8 | 178.8 | 134.5 | 0 | 0 | 107.8 | H62 Y64 Y160 F161 | H62-E129 HydrophobicContact CB-CG 4.27Å; H62-E129 IonicContact CE1-OE1 2.79Å; H62-E129 PolarHBondContact CE1-OE1 3.3Å; H62-E129 VanDerWaalsContact CE1-OE1 3.25Å; H62-E129 IonicContact CG-OE1 3.85Å; H62-E129 IonicContact ND1-OE1 3.77Å; H62-E129 PolarHBondContact ND1-OE1 3.24Å; Y64-E129 HydrophobicContact CD1-CB 3.95Å; Y64-E129 HydrophobicContact CD1-CG 4.23Å; Y64-E129 HydrophobicContact CE1-CB 3.58Å; Y64-E129 HydrophobicContact CE1-CG 3.53Å; Y64-E129 VanDerWaalsContact CE1-OE2 3.28Å; Y64-E129 WeakPolarHBondContact CE1-OE2 3.21Å; Y64-E129 VanDerWaalsContact OH-CD 3.28Å; Y64-E129 PolarHBondContact OH-OE2 3.49Å; E129-Y160 HydrophobicContact CB-CD2 3.63Å; E129-Y160 HydrophobicContact CB-CE2 3.56Å; E129-Y160 HydrophobicContact CG-CE2 4.23Å; E129-F161 HydrophobicContact CB-CZ 3.87Å |
| 130 | H | 91.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 125.9 | 177.9 | 49.2 | 103.3 | 0 | 0 | 0 | 110.5 | Y63 S65 N91 F128 R133 L157 | Y63-H130 WeakPolarHBondContact CB-CE1 3.47Å; Y63-H130 PolarHBondContact N-O 3.12Å; Y63-H130 PolarHBondContact O-CD2 3.31Å; Y63-H130 VanDerWaalsContact O-CD2 3.31Å; Y63-H130 PolarHBondContact O-N 3.35Å; S65-H130 PolarHBondContact OG-NE2 2.89Å; N91-H130 PolarHBondContact OD1-CE1 3.2Å; N91-H130 VanDerWaalsContact OD1-CE1 3.26Å; F128-H130 PolarHBondContact O-CD2 3.34Å; H130-R133 PolarHBondContact CE1-O 2.97Å; H130-R133 PolarHBondContact ND1-O 3.27Å; H130-L157 HydrophobicContact CB-CD2 3.87Å |
| 131 | P | 90.3 | Very high | 92.4 | Very high | 73 Ų | 73 | 49.1 Ų | 49.1 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 132.6 | -173.7 | 30 | -34 | 0 | 0 | 0 | 111.6 | R133 | P131-R133 PolarHBondContact O-N 3.39Å |
| 132 | G | 85.2 | Confident | 92.5 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 66% | 0.66 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 62.5 | -2.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | G61 | G61-G132 WeakPolarHBondContact O-CA 3.35Å; G61-G132 PolarHBondContact O-N 3.11Å |
| 133 | R | 90.5 | Very high | 92.7 | Very high | 109 Ų | 109 | 54.5 Ų | 54.5 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | trans | -125.2 | 146.8 | 179.9 | 70.6 | 179.8 | -175.2 | -126.2 | 1.5 | 110.4 | Y63 H130 P131 H155 K156 | Y63-R133 WeakPolarHBondContact CD2-O 3.39Å; H130-R133 PolarHBondContact CE1-O 2.97Å; H130-R133 PolarHBondContact ND1-O 3.27Å; P131-R133 PolarHBondContact O-N 3.39Å; R133-H155 PolarHBondContact NH2-O 3.21Å; R133-K156 PolarHBondContact NH2-O 3.31Å; R133-K156 VanDerWaalsContact NH2-O 3.11Å | ||
| 134 | K | 93.2 | Very high | 92.8 | Very high | 135 Ų | 135 | 55.1 Ų | 55.1 | 59% | 0.587 | 31% | 0.305 | S | S | * | . | trans | -94.9 | 139.6 | 168.8 | -68.9 | -176 | 178.2 | 175.5 | 0 | 109.1 | Y63 N91 | Y63-K134 HydrophobicContact CD1-CG 4.37Å; Y63-K134 HydrophobicContact CD2-CG 4.3Å; Y63-K134 HydrophobicContact CE1-CD 4.39Å; Y63-K134 HydrophobicContact CE1-CG 4.14Å; Y63-K134 HydrophobicContact CE2-CG 4.08Å; Y63-K134 HydrophobicContact CG-CG 4.44Å; Y63-K134 VanDerWaalsContact CZ-CE 3.42Å; Y63-K134 VanDerWaalsContact OH-CE 3.29Å; Y63-K134 WeakPolarHBondContact OH-CE 3.46Å; N91-K134 HydrophobicContact CB-CB 4.31Å; N91-K134 HydrophobicContact CB-CD 4.33Å; N91-K134 HydrophobicContact CB-CG 4.07Å; N91-K134 WeakPolarHBondContact OD1-CA 3.45Å | ||
| 135 | L | 93.9 | Very high | 93 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | trans | -70.6 | 131.1 | 172.1 | -52.7 | -171.1 | 0 | 0 | 0 | 109.8 | S65 N91 F151 H155 L157 | S65-L135 WeakPolarHBondContact OG-CD1 3.49Å; N91-L135 PolarHBondContact ND2-O 2.92Å; N91-L135 PolarHBondContact OD1-N 3.14Å; L135-F151 HydrophobicContact CD1-CZ 4Å; L135-H155 HydrophobicContact CD1-CB 4.27Å; L135-H155 HydrophobicContact CD2-CB 3.96Å; L135-L157 HydrophobicContact CD1-CD1 3.92Å; L135-L157 HydrophobicContact CD1-CD2 4.17Å; L135-L157 HydrophobicContact CD2-CD2 4.09Å | ||
| 136 | N | 93.2 | Very high | 93.1 | Very high | 144 Ų | 144 | 62.5 Ų | 62.5 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | trans | -101.3 | 88.1 | 170.7 | -173.6 | 8.4 | 0 | 0 | 0 | 109.4 | H155 | N136-H155 PolarHBondContact O-CE1 3.48Š| ||
| 137 | Q | 94.1 | Very high | 93.2 | Very high | 31 Ų | 31 | 66.5 Ų | 66.5 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | trans | -110.1 | 120.1 | 176.8 | 178.5 | 60.4 | 27.9 | 0 | 0 | 109.1 | L90 L106 F151 H155 | L90-Q137 HydrophobicContact CD1-CB 3.5Å; L90-Q137 HydrophobicContact CD1-CG 4.12Å; L106-Q137 HydrophobicContact CD2-CB 3.92Å; L106-Q137 HydrophobicContact CD2-CG 3.52Å; L106-Q137 WeakPolarHBondContact CD2-O 3.05Å; Q137-F151 HydrophobicContact CB-CE2 4.44Å; Q137-F151 HydrophobicContact CG-CE2 4.11Å; Q137-H155 PolarHBondContact OE1-NE2 3.31Å | ||
| 138 | P | 93.2 | Very high | 93.2 | Very high | 76 Ų | 76 | 66.5 Ų | 66.5 | 49% | 0.494 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 158.3 | 173.4 | 29.4 | -34.8 | 0 | 0 | 0 | 110.6 | I140 | P138-I140 PolarHBondContact O-N 3.27Š|
| 139 | A | 92.7 | Very high | 93.2 | Very high | 78 Ų | 78 | 70.3 Ų | 70.3 | 65% | 0.645 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 137.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L106 | L106-A139 HydrophobicContact CD1-CB 4.36Š|
| 140 | I | 93.7 | Very high | 93.4 | Very high | 46 Ų | 46 | 75.7 Ų | 75.7 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 145.6 | 175.4 | 66 | 178.6 | 0 | 0 | 0 | 109.6 | I85 V107 P138 S142 | I85-I140 HydrophobicContact CG2-CD1 3.33Å; V107-I140 HydrophobicContact CG2-CD1 3.4Å; V107-I140 VanDerWaalsContact CG2-CD1 3.4Å; V107-I140 HydrophobicContact CG2-CG1 3.78Å; P138-I140 PolarHBondContact O-N 3.27Å; I140-S142 WeakPolarHBondContact CD1-O 3.41Å |
| 141 | K | 93 | Very high | 93.5 | Very high | 220 Ų | 220 | 76 Ų | 76 | 96% | 0.957 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -83.8 | -22.2 | 178.4 | -63.9 | -176.8 | 179.6 | -179 | 0 | 113.2 | ||
| 142 | S | 95.6 | Very high | 93.6 | Very high | 73 Ų | 73 | 73.5 Ų | 73.5 | 51% | 0.51 | 38% | 0.378 | S | S | . | . | trans | -146.9 | 148.3 | -177.9 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | I140 A144 | I140-S142 WeakPolarHBondContact CD1-O 3.41Å; S142-A144 PolarHBondContact OG-N 3.39Å | ||
| 143 | R | 96.4 | Very high | 94 | Very high | 52 Ų | 52 | 74 Ų | 74 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -79.5 | -29.6 | 170.3 | -68.4 | 177.2 | 176.8 | -100.8 | 5.8 | 112.6 | W84 I85 Q86 V107 G108 | W84-R143 WeakPolarHBondContact CA-O 3.5Å; W84-R143 HydrophobicContact CD2-CB 3.9Å; W84-R143 HydrophobicContact CE3-CB 4.43Å; W84-R143 HydrophobicContact CG-CB 4.34Å; W84-R143 HydrophobicContact CH2-CB 4.36Å; W84-R143 HydrophobicContact CZ2-CB 3.81Å; W84-R143 HydrophobicContact CZ2-CG 4.5Å; I85-R143 HydrophobicContact CG2-CB 3.93Å; I85-R143 HydrophobicContact CG2-CG 4.04Å; I85-R143 PolarHBondContact N-O 2.75Å; I85-R143 WeakPolarHBondContact O-CD 3.43Å; I85-R143 WeakPolarHBondContact O-CG 3.34Å; I85-R143 PolarHBondContact O-NH1 3.29Å; Q86-R143 VanDerWaalsContact C-NH1 3.31Å; Q86-R143 PolarHBondContact O-NH1 3.45Å; V107-R143 HydrophobicContact CG1-CG 4.49Å; G108-R143 PolarHBondContact O-NH1 3.04Å; G108-R143 PolarHBondContact O-NH2 2.85Å |
| 144 | A | 96.4 | Very high | 94.1 | Very high | 14 Ų | 14 | 74.3 Ų | 74.3 | 12% | 0.116 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 151.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q81 W84 S142 F146 | Q81-A144 HydrophobicContact CB-CB 4.26Å; W84-A144 HydrophobicContact CE3-CB 3.65Å; W84-A144 HydrophobicContact CZ3-CB 3.63Å; S142-A144 PolarHBondContact OG-N 3.39Å; A144-F146 PolarHBondContact O-N 2.82Å; A144-F146 VanDerWaalsContact O-N 3.1Å |
| 145 | K | 95.6 | Very high | 94.2 | Very high | 133 Ų | 133 | 68.8 Ų | 68.8 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 28.4 | 174.3 | -56.7 | -177.4 | 177.5 | -176.4 | 0 | 112.7 | C80 Q81 E83 | C80-K145 VanDerWaalsContact O-CE 3.27Å; C80-K145 WeakPolarHBondContact O-CE 3.47Å; Q81-K145 PolarHBondContact O-N 2.62Å; E83-K145 PolarHBondContact O-N 3.05Å |
| 146 | F | 96.7 | Very high | 94 | Very high | 24 Ų | 24 | 76.5 Ų | 76.5 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | trans | -59.6 | 150 | 165.3 | -174 | -101 | 0 | 0 | 0 | 108.7 | L67 E83 I85 M88 A144 F151 | L67-F146 HydrophobicContact CD1-CE1 3.79Å; L67-F146 HydrophobicContact CD1-CZ 4.12Å; E83-F146 WeakPolarHBondContact CB-O 3.11Å; E83-F146 PolarHBondContact N-O 2.79Å; E83-F146 VanDerWaalsContact N-O 3.14Å; E83-F146 WeakPolarHBondContact O-CB 3.17Å; E83-F146 PolarHBondContact O-N 3.48Å; I85-F146 HydrophobicContact CB-CB 4.29Å; I85-F146 HydrophobicContact CB-CG 4.28Å; I85-F146 HydrophobicContact CD1-CD1 4.47Å; I85-F146 HydrophobicContact CD1-CE1 4.46Å; I85-F146 HydrophobicContact CG2-CB 4.41Å; M88-F146 HydrophobicContact CE-CD2 4.42Å; M88-F146 HydrophobicContact CE-CE1 4.34Å; M88-F146 HydrophobicContact CE-CE2 3.57Å; M88-F146 HydrophobicContact CE-CZ 3.51Å; A144-F146 PolarHBondContact O-N 2.82Å; A144-F146 VanDerWaalsContact O-N 3.1Å; F146-F151 HydrophobicContact CE1-CB 4.16Å; F146-F151 HydrophobicContact CE2-CB 4.32Å; F146-F151 HydrophobicContact CZ-CB 3.53Å; F146-F151 HydrophobicContact CZ-CD2 4Å; F146-F151 AromaticContact CZ-CG 3.78Å; F146-F151 HydrophobicContact CZ-CG 3.78Å | ||
| 147 | K | 93.9 | Very high | 93.8 | Very high | 87 Ų | 87 | 70.4 Ų | 70.4 | 38% | 0.378 | 36% | 0.356 | S | S | . | . | trans | -127.3 | 98.7 | -179.3 | -61.8 | -61.8 | 171.8 | -162.9 | 0 | 108.4 | A82 R149 E150 F151 | A82-K147 PolarHBondContact O-NZ 2.96Å; K147-R149 PolarHBondContact O-N 2.85Å; K147-E150 HydrophobicContact CB-CB 3.9Å; K147-E150 HydrophobicContact CB-CG 3.72Å; K147-E150 HydrophobicContact CG-CG 4.43Å; K147-E150 PolarHBondContact O-N 3.43Å; K147-E150 VanDerWaalsContact O-N 3.13Å; K147-F151 PolarHBondContact O-N 3.38Å | ||
| 148 | T | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.4 | -41.3 | -179.6 | -71.1 | 0 | 0 | 0 | 0 | 111.3 | V18 I19 E83 L126 F128 E150 F151 M152 | V18-T148 HydrophobicContact CG1-CG2 4.16Å; I19-T148 HydrophobicContact CG2-CG2 4.3Å; E83-T148 PolarHBondContact OE1-N 3.44Å; E83-T148 WeakPolarHBondContact OE2-CB 3.26Å; E83-T148 PolarHBondContact OE2-N 3.13Å; E83-T148 PolarHBondContact OE2-OG1 3.1Å; L126-T148 HydrophobicContact CD1-CG2 3.65Å; F128-T148 HydrophobicContact CZ-CG2 4.18Å; T148-E150 PolarHBondContact O-N 3.45Å; T148-F151 WeakPolarHBondContact O-CB 3.31Å; T148-F151 PolarHBondContact O-N 3.43Å; T148-M152 HydrophobicContact CG2-CG 4.24Å; T148-M152 HydrophobicContact CG2-SD 3.71Å; T148-M152 VanDerWaalsContact O-CG 3.26Å; T148-M152 WeakPolarHBondContact O-CG 3.43Å; T148-M152 PolarHBondContact O-N 3.06Å |
| 149 | R | 92.7 | Very high | 91.1 | Very high | 83 Ų | 83 | 69.3 Ų | 69.3 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 175.4 | -68 | -173.5 | 174.7 | 87.1 | 1.6 | 113.9 | P16 D17 V18 D20 K147 F151 M152 A153 | P16-R149 PolarHBondContact O-NH2 3.42Å; D17-R149 PolarHBondContact O-NH1 3.42Å; V18-R149 WeakPolarHBondContact O-CG 3.14Å; V18-R149 PolarHBondContact O-NH1 3.02Å; D20-R149 IonicContact OD1-CZ 3.75Å; D20-R149 VanDerWaalsContact OD1-CZ 3.3Å; D20-R149 IonicContact OD1-NE 3.2Å; D20-R149 PolarHBondContact OD1-NE 2.82Å; D20-R149 IonicContact OD1-NH2 2.91Å; D20-R149 PolarHBondContact OD1-NH2 3.06Å; D20-R149 IonicContact OD2-NE 3.97Å; K147-R149 PolarHBondContact O-N 2.85Å; R149-F151 VanDerWaalsContact C-N 3.31Å; R149-F151 PolarHBondContact O-N 3.18Å; R149-M152 PolarHBondContact O-N 2.98Å; R149-A153 WeakPolarHBondContact O-CB 3.04Å; R149-A153 PolarHBondContact O-N 3.25Å |
| 150 | E | 94.3 | Very high | 89.4 | Confident | 136 Ų | 136 | 69.7 Ų | 69.7 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.3 | -39.5 | 178.4 | -67.2 | -179.8 | -164.5 | 0 | 0 | 110.9 | K147 T148 A153 K154 | K147-E150 HydrophobicContact CB-CB 3.9Å; K147-E150 HydrophobicContact CB-CG 3.72Å; K147-E150 HydrophobicContact CG-CG 4.43Å; K147-E150 PolarHBondContact O-N 3.43Å; K147-E150 VanDerWaalsContact O-N 3.13Å; T148-E150 PolarHBondContact O-N 3.45Å; E150-A153 PolarHBondContact O-N 3.41Å; E150-K154 WeakPolarHBondContact O-CB 3.35Å; E150-K154 PolarHBondContact O-N 2.82Å |
| 151 | F | 94.5 | Very high | 87.4 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 173.9 | 174 | -94.8 | 0 | 0 | 0 | 111.7 | L67 L90 F128 L135 Q137 F146 K147 T148 R149 K154 H155 L157 | L67-F151 HydrophobicContact CD1-CD1 3.89Å; L67-F151 HydrophobicContact CD1-CE1 4.03Å; L67-F151 HydrophobicContact CD2-CE1 4.46Å; L67-F151 HydrophobicContact CG-CE1 4.47Å; L90-F151 HydrophobicContact CD2-CE2 4.44Å; L90-F151 HydrophobicContact CD2-CZ 3.96Å; F128-F151 HydrophobicContact CD2-CE1 4.15Å; F128-F151 HydrophobicContact CE2-CE1 4.32Å; L135-F151 HydrophobicContact CD1-CZ 4Å; Q137-F151 HydrophobicContact CB-CE2 4.44Å; Q137-F151 HydrophobicContact CG-CE2 4.11Å; F146-F151 HydrophobicContact CE1-CB 4.16Å; F146-F151 HydrophobicContact CE2-CB 4.32Å; F146-F151 HydrophobicContact CZ-CB 3.53Å; F146-F151 HydrophobicContact CZ-CD2 4Å; F146-F151 AromaticContact CZ-CG 3.78Å; F146-F151 HydrophobicContact CZ-CG 3.78Å; K147-F151 PolarHBondContact O-N 3.38Å; T148-F151 WeakPolarHBondContact O-CB 3.31Å; T148-F151 PolarHBondContact O-N 3.43Å; R149-F151 VanDerWaalsContact C-N 3.31Å; R149-F151 PolarHBondContact O-N 3.18Å; F151-K154 PolarHBondContact O-N 3.2Å; F151-H155 AromaticContact CD2-CD2 3.56Å; F151-H155 AromaticContact CD2-NE2 3.9Å; F151-H155 AromaticContact CE2-CD2 3.4Å; F151-H155 VanDerWaalsContact CE2-CD2 3.4Å; F151-H155 WeakPolarHBondContact CE2-CD2 3.28Å; F151-H155 AromaticContact CE2-NE2 3.64Å; F151-H155 AromaticContact CZ-CD2 3.88Å; F151-H155 PolarHBondContact O-CD2 3.05Å; F151-H155 VanDerWaalsContact O-CD2 3.27Å; F151-H155 PolarHBondContact O-N 3.27Å; F151-H155 VanDerWaalsContact O-N 3.12Å; F151-L157 HydrophobicContact CD1-CD1 4.04Å; F151-L157 HydrophobicContact CE1-CD1 3.46Å; F151-L157 VanDerWaalsContact CE1-CD1 3.46Å; F151-L157 HydrophobicContact CZ-CD1 4.13Å |
| 152 | M | 92.6 | Very high | 85.5 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 177 | -70.6 | 167.8 | 57 | 0 | 0 | 111.8 | I19 F128 T148 R149 H155 K156 L157 N159 | I19-M152 HydrophobicContact CG2-SD 4.1Å; F128-M152 HydrophobicContact CD1-CG 4.4Å; F128-M152 HydrophobicContact CE1-CE 4.43Å; F128-M152 HydrophobicContact CE1-CG 3.56Å; F128-M152 HydrophobicContact CE1-SD 3.86Å; F128-M152 HydrophobicContact CZ-CG 3.86Å; F128-M152 HydrophobicContact CZ-SD 4.1Å; T148-M152 HydrophobicContact CG2-CG 4.24Å; T148-M152 HydrophobicContact CG2-SD 3.71Å; T148-M152 VanDerWaalsContact O-CG 3.26Å; T148-M152 WeakPolarHBondContact O-CG 3.43Å; T148-M152 PolarHBondContact O-N 3.06Å; R149-M152 PolarHBondContact O-N 2.98Å; M152-H155 CarbonylContact O-C 3.52Å; M152-H155 PolarHBondContact O-N 3.48Å; M152-K156 WeakPolarHBondContact O-CA 3.27Å; M152-K156 PolarHBondContact O-N 2.77Å; M152-L157 PolarHBondContact O-N 3.38Å; M152-N159 WeakPolarHBondContact CE-OD1 3.38Å |
| 153 | A | 92.7 | Very high | 83.4 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 60% | 0.603 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.9 | -47.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R149 E150 H155 K156 | R149-A153 WeakPolarHBondContact O-CB 3.04Å; R149-A153 PolarHBondContact O-N 3.25Å; E150-A153 PolarHBondContact O-N 3.41Å; A153-H155 VanDerWaalsContact C-N 3.28Å; A153-H155 PolarHBondContact O-N 2.91Å; A153-K156 PolarHBondContact O-N 3.34Å |
| 154 | K | 94.6 | Very high | 81.2 | Confident | 116 Ų | 116 | 51.8 Ų | 51.8 | 50% | 0.504 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.9 | -42.7 | 177.9 | 177.7 | -177.5 | 176.1 | -173.5 | 0 | 112.2 | E150 F151 | E150-K154 WeakPolarHBondContact O-CB 3.35Å; E150-K154 PolarHBondContact O-N 2.82Å; F151-K154 PolarHBondContact O-N 3.2Å |
| 155 | H | 93.6 | Very high | 78.9 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 9% | 0.088 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -95.5 | 2.9 | -175.9 | -70 | -64.2 | 0 | 0 | 0 | 113.9 | R133 L135 N136 Q137 F151 M152 A153 L157 | R133-H155 PolarHBondContact NH2-O 3.21Å; L135-H155 HydrophobicContact CD1-CB 4.27Å; L135-H155 HydrophobicContact CD2-CB 3.96Å; N136-H155 PolarHBondContact O-CE1 3.48Å; Q137-H155 PolarHBondContact OE1-NE2 3.31Å; F151-H155 AromaticContact CD2-CD2 3.56Å; F151-H155 AromaticContact CD2-NE2 3.9Å; F151-H155 AromaticContact CE2-CD2 3.4Å; F151-H155 VanDerWaalsContact CE2-CD2 3.4Å; F151-H155 WeakPolarHBondContact CE2-CD2 3.28Å; F151-H155 AromaticContact CE2-NE2 3.64Å; F151-H155 AromaticContact CZ-CD2 3.88Å; F151-H155 PolarHBondContact O-CD2 3.05Å; F151-H155 VanDerWaalsContact O-CD2 3.27Å; F151-H155 PolarHBondContact O-N 3.27Å; F151-H155 VanDerWaalsContact O-N 3.12Å; M152-H155 CarbonylContact O-C 3.52Å; M152-H155 PolarHBondContact O-N 3.48Å; A153-H155 VanDerWaalsContact C-N 3.28Å; A153-H155 PolarHBondContact O-N 2.91Å; H155-L157 VanDerWaalsContact C-N 3.27Å; H155-L157 HydrophobicContact CB-CD1 3.74Å; H155-L157 HydrophobicContact CB-CD2 4.26Å; H155-L157 HydrophobicContact CB-CG 3.63Å; H155-L157 PolarHBondContact O-N 2.91Å |
| 156 | K | 90.3 | Very high | 76.7 | Confident | 173 Ų | 173 | 45.7 Ų | 45.7 | 75% | 0.752 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 50.2 | -176.3 | -54.8 | 179.1 | -177.8 | -176.5 | 0 | 111.2 | R133 M152 A153 | R133-K156 PolarHBondContact NH2-O 3.31Å; R133-K156 VanDerWaalsContact NH2-O 3.11Å; M152-K156 WeakPolarHBondContact O-CA 3.27Å; M152-K156 PolarHBondContact O-N 2.77Å; A153-K156 PolarHBondContact O-N 3.34Å |
| 157 | L | 88.4 | Confident | 74.3 | Confident | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -91.3 | 136.7 | -178.4 | -62.2 | 172.5 | 0 | 0 | 0 | 110.1 | F128 H130 L135 F151 M152 H155 | F128-L157 HydrophobicContact CB-CD1 3.92Å; F128-L157 HydrophobicContact CB-CD2 4.34Å; F128-L157 HydrophobicContact CD1-CB 4.01Å; F128-L157 HydrophobicContact CD1-CD1 4.07Å; F128-L157 HydrophobicContact CD2-CD1 4.44Å; F128-L157 HydrophobicContact CG-CD1 3.86Å; H130-L157 HydrophobicContact CB-CD2 3.87Å; L135-L157 HydrophobicContact CD1-CD1 3.92Å; L135-L157 HydrophobicContact CD1-CD2 4.17Å; L135-L157 HydrophobicContact CD2-CD2 4.09Å; F151-L157 HydrophobicContact CD1-CD1 4.04Å; F151-L157 HydrophobicContact CE1-CD1 3.46Å; F151-L157 VanDerWaalsContact CE1-CD1 3.46Å; F151-L157 HydrophobicContact CZ-CD1 4.13Å; M152-L157 PolarHBondContact O-N 3.38Å; H155-L157 VanDerWaalsContact C-N 3.27Å; H155-L157 HydrophobicContact CB-CD1 3.74Å; H155-L157 HydrophobicContact CB-CD2 4.26Å; H155-L157 HydrophobicContact CB-CG 3.63Å; H155-L157 PolarHBondContact O-N 2.91Å |
| 158 | G | 71.7 | Confident | 73.3 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 44% | 0.443 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -93.3 | 170 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 159 | N | 59 | Low | 72.2 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 22% | 0.219 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -90.3 | 137.4 | -177.8 | -60.8 | -12.1 | 0 | 0 | 0 | 111.4 | S21 M152 | S21-N159 PolarHBondContact O-ND2 3.26Å; M152-N159 WeakPolarHBondContact CE-OD1 3.38Å |
| 160 | Y | 56.9 | Low | 71.1 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | trans | -123.6 | -155.4 | 143.1 | -51.8 | -103.1 | 0 | 0 | 0 | 106.7 | P24 E129 | P24-Y160 HydrophobicContact CG-CD1 3.67Å; P24-Y160 HydrophobicContact CG-CE1 4.42Å; P24-Y160 HydrophobicContact CG-CG 4.17Å; E129-Y160 HydrophobicContact CB-CD2 3.63Å; E129-Y160 HydrophobicContact CB-CE2 3.56Å; E129-Y160 HydrophobicContact CG-CE2 4.23Å | ||
| 161 | F | 53 | Low | 69.7 | Low | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | trans | 91.2 | 151.2 | 145.1 | -34.7 | -67 | 0 | 0 | 0 | 122.1 | P23 A25 Y64 L127 F128 E129 | P23-F161 WeakPolarHBondContact CB-O 3.37Å; P23-F161 WeakPolarHBondContact CG-O 3.15Å; A25-F161 PolarHBondContact O-N 3.34Å; Y64-F161 HydrophobicContact CD1-CE1 4.28Å; L127-F161 HydrophobicContact CB-CB 3.9Å; L127-F161 HydrophobicContact CB-CD1 3.05Å; L127-F161 HydrophobicContact CB-CD2 4.21Å; L127-F161 HydrophobicContact CB-CE1 3.43Å; L127-F161 VanDerWaalsContact CB-CE1 3.43Å; L127-F161 HydrophobicContact CB-CG 3.41Å; L127-F161 VanDerWaalsContact CB-CG 3.41Å; L127-F161 HydrophobicContact CB-CZ 4.21Å; L127-F161 HydrophobicContact CD2-CD1 3.54Å; L127-F161 HydrophobicContact CD2-CE1 3.38Å; L127-F161 HydrophobicContact CG-CD1 3.43Å; L127-F161 VanDerWaalsContact CG-CD1 3.43Å; L127-F161 HydrophobicContact CG-CE1 3.23Å; L127-F161 HydrophobicContact CG-CG 4.22Å; L127-F161 HydrophobicContact CG-CZ 4.04Å; L127-F161 VanDerWaalsContact N-CG 3.29Å; L127-F161 WeakPolarHBondContact O-CD2 3.22Å; L127-F161 WeakPolarHBondContact O-CE2 3.21Å; L127-F161 WeakPolarHBondContact O-CG 3.27Å; F128-F161 HydrophobicContact CB-CE2 4.36Å; F128-F161 HydrophobicContact CD1-CE2 4.49Å; E129-F161 HydrophobicContact CB-CZ 3.87Å | ||
| 162 | V | 53.3 | Low | 68.2 | Low | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -145 | 151.3 | -169.9 | 159.1 | 0 | 0 | 0 | 0 | 113.4 | L5 F9 P23 A25 K26 L27 P39 F125 | L5-V162 HydrophobicContact CD1-CG1 4.48Å; L5-V162 HydrophobicContact CD1-CG2 3.41Å; L5-V162 VanDerWaalsContact CD1-CG2 3.41Å; L5-V162 HydrophobicContact CD2-CG2 3.56Å; L5-V162 HydrophobicContact CG-CG2 4.02Å; F9-V162 HydrophobicContact CE2-CG2 3.96Å; F9-V162 HydrophobicContact CZ-CB 4.39Å; F9-V162 HydrophobicContact CZ-CG2 4.12Å; P23-V162 HydrophobicContact CG-CG2 3.98Å; A25-V162 WeakPolarHBondContact O-CG2 3.4Å; K26-V162 HydrophobicContact CB-CG2 4.39Å; K26-V162 HydrophobicContact CG-CB 4.31Å; K26-V162 HydrophobicContact CG-CG1 3.87Å; K26-V162 HydrophobicContact CG-CG2 4.31Å; L27-V162 HydrophobicContact CB-CB 3.91Å; L27-V162 WeakPolarHBondContact CB-O 3.38Å; L27-V162 WeakPolarHBondContact CD2-O 3.5Å; P39-V162 HydrophobicContact CG-CG1 3.79Å; F125-V162 WeakPolarHBondContact CB-O 3.25Å; F125-V162 CarbonylContact O-C 3.38Å | ||
| 163 | A | 51.6 | Low | 66.5 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | 159.9 | 101.7 | 117.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | V29 T124 F125 | V29-A163 HydrophobicContact CB-CB 4.23Å; V29-A163 HydrophobicContact CG2-CB 3.57Å; T124-A163 WeakPolarHBondContact CA-O 3.13Å; F125-A163 HydrophobicContact CB-CB 4.14Å; F125-A163 HydrophobicContact CD2-CB 3.9Å; F125-A163 HydrophobicContact CG-CB 4.42Å; F125-A163 PolarHBondContact N-O 3.04Å; F125-A163 PolarHBondContact O-N 3.07Å | |||
| 164 | Q | 48.9 | Very low | 64.7 | Low | 13 Ų | 13 | 39.9 Ų | 39.9 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.6 | 167.8 | -177.7 | -162.4 | 11 | 0 | 0 | 107.8 | A12 G40 R122 F123 | A12-Q164 HydrophobicContact CB-CG 4.44Å; G40-Q164 PolarHBondContact N-O 2.69Å; R122-Q164 HydrophobicContact CB-CG 4.43Å; F123-Q164 CarbonylContact O-C 3.35Å |
| 165 | H | 48 | Very low | 62.4 | Low | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.5 | 169 | 159 | 41.4 | 0 | 0 | 0 | 107.3 | D41 L43 H121 R122 F123 | D41-H165 WeakPolarHBondContact O-CA 3.18Å; D41-H165 PolarHBondContact O-ND1 2.75Å; L43-H165 VanDerWaalsContact CA-CE1 3.4Å; L43-H165 WeakPolarHBondContact CA-CE1 3.4Å; L43-H165 WeakPolarHBondContact CB-CE1 3.47Å; L43-H165 WeakPolarHBondContact CB-ND1 3.37Å; L43-H165 HydrophobicContact CD1-CB 4.25Å; L43-H165 WeakPolarHBondContact CD1-ND1 3.28Å; L43-H165 WeakPolarHBondContact CG-ND1 3.34Å; L43-H165 PolarHBondContact N-CE1 2.82Å; L43-H165 PolarHBondContact N-ND1 2.95Å; L43-H165 PolarHBondContact O-CE1 3.22Å; H121-H165 VanDerWaalsContact O-O 3.06Å; R122-H165 CarbonylContact C-O 3.56Å; R122-H165 WeakPolarHBondContact CA-O 3.22Å; F123-H165 HydrophobicContact CB-CB 4.34Å; F123-H165 AromaticContact CD2-CD2 3.83Å; F123-H165 PolarHBondContact N-O 3.17Å; F123-H165 PolarHBondContact O-N 2.97Å |
| 166 | S | 48.9 | Very low | 59.8 | Low | 17 Ų | 17 | 35.3 Ų | 35.3 | 12% | 0.119 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.4 | 171.2 | -65.8 | 0 | 0 | 0 | 0 | 108.5 | D41 E42 L43 H121 | D41-S166 PolarHBondContact O-N 3.27Å; E42-S166 WeakPolarHBondContact CA-O 3.47Å; L43-S166 PolarHBondContact N-O 2.88Å; L43-S166 VanDerWaalsContact N-O 3.1Å; H121-S166 VanDerWaalsContact O-CA 3.29Å; H121-S166 WeakPolarHBondContact O-CA 3.02Å |
| 167 | G | 47.2 | Very low | 57 | Low | 29 Ų | 29 | 22.7 Ų | 22.7 | 30% | 0.299 | 14% | 0.144 | S | C | . | . | trans | -131.7 | 0 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L120 H121 | L120-G167 CarbonylContact C-O 3.56Å; L120-G167 VanDerWaalsContact CA-O 3.25Å; L120-G167 WeakPolarHBondContact CA-O 3.45Å; H121-G167 PolarHBondContact N-O 2.82Å; H121-G167 PolarHBondContact O-N 3.17Å; H121-G167 VanDerWaalsContact O-N 3.14Å |
Retrieved 167 of 167 residues in 92.1 ms
(Link to these results)