| 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 | 40.1 | Very low | 55.3 | Low | 106 Ų | 106 | 86.6 Ų | 86.6 | 52% | 0.522 | 46% | 0.456 | S | S | . | . | 0 | 107.7 | 0 | -157.7 | 150.7 | 176.5 | 0 | 0 | 108 | L3 A61 V87 | M1-L3 PolarHBondContact O-N 3.13Å; M1-A61 VanDerWaalsContact CE-C 3.49Å; M1-A61 WeakPolarHBondContact CE-O 3.26Å; M1-V87 HydrophobicContact CE-CB 3.66Å; M1-V87 HydrophobicContact CE-CG2 3.39Å; M1-V87 HydrophobicContact SD-CG2 3.97Å | |||
| 2 | R | 35.4 | Very low | 58.8 | Low | 213 Ų | 213 | 79.7 Ų | 79.7 | 80% | 0.804 | 42% | 0.42 | S | S | * | . | trans | -91.7 | 86.6 | -174.6 | -74.1 | -174 | 178.4 | -178 | 0.7 | 109.8 | N4 | R2-N4 VanDerWaalsContact C-N 3.26Š| ||
| 3 | L | 50.8 | Low | 61.8 | Low | 30 Ų | 30 | 73.7 Ų | 73.7 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.1 | 172.3 | -70.9 | 166.6 | 0 | 0 | 0 | 113.3 | M1 L10 A61 Y134 | M1-L3 PolarHBondContact O-N 3.13Å; L3-L10 HydrophobicContact CD2-CD1 4.17Å; L3-L10 VanDerWaalsContact O-CD1 3.26Å; L3-L10 WeakPolarHBondContact O-CD1 3.34Å; L3-A61 HydrophobicContact CD2-CB 3.32Å; L3-Y134 HydrophobicContact CB-CD1 3.64Å; L3-Y134 HydrophobicContact CB-CG 3.88Å; L3-Y134 VanDerWaalsContact CD1-CB 3.45Å; L3-Y134 HydrophobicContact CD1-CD1 4.01Å; L3-Y134 HydrophobicContact CD1-CD2 3.95Å; L3-Y134 HydrophobicContact CD1-CG 3.55Å; L3-Y134 HydrophobicContact CG-CD1 4.25Å; L3-Y134 HydrophobicContact CG-CG 4.25Å |
| 4 | N | 42.9 | Very low | 64.4 | Low | 101 Ų | 101 | 69.2 Ų | 69.2 | 54% | 0.54 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 20.6 | -176 | -69.5 | -2 | 0 | 0 | 0 | 114.2 | R2 S135 | R2-N4 VanDerWaalsContact C-N 3.26Å; N4-S135 PolarHBondContact OD1-O 2.66Å |
| 5 | G | 37.9 | Very low | 66.7 | Low | 15 Ų | 15 | 64.6 Ų | 64.6 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -77 | 134.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 6 | G | 44.4 | Very low | 68.7 | Low | 55 Ų | 55 | 61.1 Ų | 61.1 | 57% | 0.567 | 32% | 0.321 | S | S | * | . | trans | -46.2 | 150.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N8 Q9 | G6-N8 CarbonylContact O-C 3.55Å; G6-N8 PolarHBondContact O-N 3.32Å; G6-Q9 PolarHBondContact O-N 2.85Å | ||
| 7 | S | 50.5 | Low | 70.4 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -38.6 | -19.9 | -161.2 | 61 | 0 | 0 | 0 | 0 | 118.9 | ||
| 8 | N | 53.3 | Low | 71.9 | Confident | 133 Ų | 133 | 54.3 Ų | 54.3 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -1.9 | 174.2 | -82.9 | -0.5 | 0 | 0 | 0 | 116 | G6 | G6-N8 CarbonylContact O-C 3.55Å; G6-N8 PolarHBondContact O-N 3.32Å |
| 9 | Q | 71.6 | Confident | 73.2 | Confident | 123 Ų | 123 | 53.4 Ų | 53.4 | 58% | 0.575 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -108 | -19.9 | -179.8 | -72.9 | -169.4 | -2 | 0 | 0 | 115.2 | G6 K11 | G6-Q9 PolarHBondContact O-N 2.85Å; Q9-K11 PolarHBondContact O-N 3.44Å |
| 10 | L | 87.2 | Confident | 74.5 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | trans | -78.4 | 116.9 | -177.6 | -158 | 139.5 | 0 | 0 | 0 | 109.5 | L3 G32 Q33 A61 | L3-L10 HydrophobicContact CD2-CD1 4.17Å; L3-L10 VanDerWaalsContact O-CD1 3.26Å; L3-L10 WeakPolarHBondContact O-CD1 3.34Å; L10-G32 CarbonylContact O-C 3.52Å; L10-G32 VanDerWaalsContact O-CA 3.23Å; L10-G32 WeakPolarHBondContact O-CA 3.47Å; L10-Q33 PolarHBondContact O-N 3.42Å; L10-A61 HydrophobicContact CD2-CB 3.99Å; L10-A61 HydrophobicContact CG-CB 4.11Å | ||
| 11 | K | 95 | Very high | 75.6 | Confident | 76 Ų | 76 | 53 Ų | 53 | 33% | 0.33 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.9 | 176.8 | -67.7 | 178 | 178.3 | -174.5 | 0 | 109.4 | Q9 Q33 D59 S60 A61 | Q9-K11 PolarHBondContact O-N 3.44Å; K11-Q33 CarbonylContact C-O 3.47Å; K11-Q33 VanDerWaalsContact CA-O 3.28Å; K11-Q33 WeakPolarHBondContact CA-O 3.22Å; K11-Q33 HydrophobicContact CG-CB 4.11Å; K11-D59 WeakPolarHBondContact CD-OD2 3.41Å; K11-D59 WeakPolarHBondContact CE-OD2 3.17Å; K11-D59 IonicContact NZ-OD2 3.73Å; K11-D59 PolarHBondContact NZ-OD2 3.31Å; K11-S60 CarbonylContact O-C 3.54Å; K11-S60 WeakPolarHBondContact O-CA 3.5Å; K11-A61 WeakPolarHBondContact O-CB 3.49Å; K11-A61 PolarHBondContact O-N 3.19Å |
| 12 | A | 97 | Very high | 78.4 | Confident | 3 Ų | 3 | 52 Ų | 52 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y14 Q33 V34 R35 Y62 | A12-Y14 HydrophobicContact CB-CD2 4.2Å; A12-Y14 HydrophobicContact CB-CE2 3.78Å; A12-Q33 PolarHBondContact N-O 2.94Å; A12-V34 WeakPolarHBondContact O-CA 3.27Å; A12-R35 PolarHBondContact O-N 3.5Å; A12-Y62 HydrophobicContact CB-CD1 4.38Å; A12-Y62 HydrophobicContact CB-CD2 4.13Å; A12-Y62 HydrophobicContact CB-CE1 3.93Å; A12-Y62 HydrophobicContact CB-CE2 3.66Å; A12-Y62 HydrophobicContact CB-CG 4.46Å |
| 13 | D | 97.9 | Very high | 81.3 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.011 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.1 | 175.5 | -61.7 | -44.1 | 0 | 0 | 0 | 109 | R35 L37 V56 S57 S60 Y62 L63 Y64 | D13-R35 CarbonylContact C-O 3.57Å; D13-R35 WeakPolarHBondContact CA-O 3.42Å; D13-L37 HydrophobicContact CB-CD1 3.76Å; D13-L37 HydrophobicContact CB-CG 4.42Å; D13-V56 VanDerWaalsContact OD2-CG1 3.27Å; D13-V56 WeakPolarHBondContact OD2-CG1 3.46Å; D13-S57 PolarHBondContact OD1-OG 3.32Å; D13-S57 WeakPolarHBondContact OD2-CB 3.35Å; D13-S57 PolarHBondContact OD2-N 3.13Å; D13-S57 PolarHBondContact OD2-OG 3.29Å; D13-S60 WeakPolarHBondContact OD2-CB 3.49Å; D13-S60 PolarHBondContact OD2-OG 3.37Å; D13-Y62 PolarHBondContact N-O 3.42Å; D13-L63 HydrophobicContact CB-CD1 3.68Å; D13-L63 CarbonylContact O-C 3.52Å; D13-L63 WeakPolarHBondContact O-CA 3.42Å; D13-Y64 PolarHBondContact O-N 3.4Å |
| 14 | Y | 98.5 | Very high | 83.6 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 118.2 | -177.1 | -87.7 | -109.9 | 0 | 0 | 0 | 110.6 | A12 V16 A24 A25 A28 V34 R35 L37 Y62 Y64 | A12-Y14 HydrophobicContact CB-CD2 4.2Å; A12-Y14 HydrophobicContact CB-CE2 3.78Å; Y14-V16 PolarHBondContact O-N 3.05Å; Y14-A24 HydrophobicContact CD1-CB 4.44Å; Y14-A24 HydrophobicContact CE1-CB 3.83Å; Y14-A25 HydrophobicContact CD1-CB 3.7Å; Y14-A25 HydrophobicContact CE1-CB 4.34Å; Y14-A25 HydrophobicContact CG-CB 3.95Å; Y14-A28 HydrophobicContact CE1-CB 4.4Å; Y14-A28 HydrophobicContact CE2-CB 3.89Å; Y14-A28 VanDerWaalsContact OH-CB 3.23Å; Y14-A28 WeakPolarHBondContact OH-CB 3.47Å; Y14-V34 HydrophobicContact CD2-CG1 3.62Å; Y14-V34 HydrophobicContact CE2-CG1 4.25Å; Y14-V34 HydrophobicContact CE2-CG2 4.42Å; Y14-V34 HydrophobicContact CG-CG1 4Å; Y14-R35 PolarHBondContact N-O 3.41Å; Y14-L37 PolarHBondContact O-N 3.27Å; Y14-Y62 AromaticContact CE2-CE2 3.65Å; Y14-Y62 HydrophobicContact CE2-CE2 3.65Å; Y14-Y62 AromaticContact CZ-CE2 3.88Å; Y14-Y62 PolarHBondContact OH-OH 3.25Å; Y14-Y62 VanDerWaalsContact OH-OH 3.09Å; Y14-Y64 AromaticContact CD1-CD1 3.33Å; Y14-Y64 HydrophobicContact CD1-CD1 3.33Å; Y14-Y64 HydrophobicContact CD1-CD2 4.48Å; Y14-Y64 HydrophobicContact CD1-CE1 4.1Å; Y14-Y64 AromaticContact CD1-CG 3.58Å; Y14-Y64 HydrophobicContact CD1-CG 3.58Å; Y14-Y64 AromaticContact CE1-CD1 3.33Å; Y14-Y64 HydrophobicContact CE1-CD1 3.33Å; Y14-Y64 AromaticContact CE1-CD2 3.71Å; Y14-Y64 HydrophobicContact CE1-CD2 3.71Å; Y14-Y64 AromaticContact CE1-CE1 3.92Å; Y14-Y64 HydrophobicContact CE1-CE1 3.92Å; Y14-Y64 HydrophobicContact CE1-CE2 4.22Å; Y14-Y64 AromaticContact CE1-CG 3.22Å; Y14-Y64 HydrophobicContact CE1-CG 3.22Å; Y14-Y64 HydrophobicContact CE2-CG 4.47Å; Y14-Y64 HydrophobicContact CG-CD1 4.27Å; Y14-Y64 HydrophobicContact CG-CG 4.32Å; Y14-Y64 AromaticContact CZ-CD2 3.98Å; Y14-Y64 AromaticContact CZ-CG 3.72Å |
| 15 | L | 98.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 105 | 165.1 | -67 | 175.4 | 0 | 0 | 0 | 108.7 | S21 L37 F48 P49 Y54 L63 Y64 V80 | L15-S21 WeakPolarHBondContact O-CB 3.21Å; L15-L37 WeakPolarHBondContact CA-O 3.33Å; L15-L37 HydrophobicContact CD2-CB 3.81Å; L15-F48 HydrophobicContact CD1-CE1 4.32Å; L15-F48 HydrophobicContact CD1-CZ 3.97Å; L15-P49 HydrophobicContact CD2-CG 3.9Å; L15-Y54 HydrophobicContact CD1-CE1 4.2Å; L15-Y54 HydrophobicContact CD1-CE2 4.23Å; L15-Y54 HydrophobicContact CD2-CD1 3.7Å; L15-Y54 HydrophobicContact CD2-CD2 3.94Å; L15-Y54 HydrophobicContact CD2-CE1 3.94Å; L15-Y54 HydrophobicContact CD2-CE2 4.19Å; L15-Y54 HydrophobicContact CD2-CG 3.69Å; L15-L63 HydrophobicContact CD1-CD2 4.15Å; L15-L63 HydrophobicContact CG-CD1 4.08Å; L15-L63 HydrophobicContact CG-CD2 4.48Å; L15-Y64 PolarHBondContact N-O 3.46Å; L15-V80 HydrophobicContact CD1-CG2 4.25Å |
| 16 | V | 98.3 | Very high | 89.1 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | trans | -97.9 | 101.9 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | Y14 S21 Q22 A25 I36 L37 F45 | Y14-V16 PolarHBondContact O-N 3.05Å; V16-S21 WeakPolarHBondContact CA-OG 3.45Å; V16-Q22 HydrophobicContact CG1-CB 3.76Å; V16-Q22 HydrophobicContact CG1-CG 4.43Å; V16-A25 HydrophobicContact CG2-CB 4.13Å; V16-I36 HydrophobicContact CB-CG2 3.95Å; V16-I36 HydrophobicContact CG2-CB 4.46Å; V16-I36 HydrophobicContact CG2-CG1 4.18Å; V16-I36 HydrophobicContact CG2-CG2 3.77Å; V16-L37 PolarHBondContact N-O 3.35Å; V16-L37 VanDerWaalsContact N-O 3.07Å; V16-F45 HydrophobicContact CG1-CE1 3.81Å; V16-F45 HydrophobicContact CG1-CZ 3.95Å | ||
| 17 | T | 98.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -115.6 | -1.3 | -173.5 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | S21 L42 F45 F48 P49 E69 | T17-S21 PolarHBondContact N-OG 3.32Å; T17-L42 HydrophobicContact CG2-CD1 4.15Å; T17-F45 VanDerWaalsContact O-CB 3.3Å; T17-F45 WeakPolarHBondContact O-CB 3.5Å; T17-F48 HydrophobicContact CG2-CD2 3.72Å; T17-F48 HydrophobicContact CG2-CE2 3.93Å; T17-F48 HydrophobicContact CG2-CG 4.39Å; T17-P49 VanDerWaalsContact CG2-CD 3.45Å; T17-P49 HydrophobicContact CG2-CG 4.34Å; T17-E69 WeakPolarHBondContact OG1-CG 3.37Å | ||
| 18 | G | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -179.8 | -166.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W20 S21 Q22 F45 E69 N72 | G18-W20 PolarHBondContact O-N 3.18Å; G18-S21 PolarHBondContact N-OG 2.92Å; G18-S21 VanDerWaalsContact N-OG 3.17Å; G18-S21 PolarHBondContact O-OG 3.23Å; G18-Q22 VanDerWaalsContact O-CB 3.25Å; G18-Q22 WeakPolarHBondContact O-CB 3.41Å; G18-Q22 PolarHBondContact O-N 2.8Å; G18-Q22 VanDerWaalsContact O-N 3.12Å; G18-F45 VanDerWaalsContact CA-CG 3.49Å; G18-E69 VanDerWaalsContact C-CD 3.45Å; G18-E69 VanDerWaalsContact C-OE1 3.31Å; G18-E69 WeakPolarHBondContact CA-OE1 3.49Å; G18-E69 PolarHBondContact N-OE1 2.85Å; G18-N72 WeakPolarHBondContact CA-OD1 3.47Å |
| 19 | L | 96.4 | Very high | 95.8 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 20% | 0.199 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -38.3 | -174.8 | -168.2 | 67.7 | 0 | 0 | 0 | 112.5 | Q22 Q23 E69 I71 N72 | L19-Q22 PolarHBondContact O-N 3.33Å; L19-Q23 WeakPolarHBondContact O-CG 3.42Å; L19-Q23 PolarHBondContact O-N 3.19Å; L19-E69 PolarHBondContact N-OE2 2.91Å; L19-I71 HydrophobicContact CB-CD1 4.31Å; L19-I71 HydrophobicContact CD2-CD1 3.4Å; L19-I71 HydrophobicContact CG-CD1 4.4Å; L19-N72 PolarHBondContact N-OD1 2.89Å |
| 20 | W | 98.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 43 Ų | 43 | 37% | 0.371 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -74.3 | -45.3 | -174.4 | -65.7 | 123.1 | 0 | 0 | 0 | 112.4 | G18 Q22 Q23 A24 E69 T70 I71 | G18-W20 PolarHBondContact O-N 3.18Å; W20-Q22 VanDerWaalsContact C-N 3.27Å; W20-Q22 PolarHBondContact O-N 3.29Å; W20-Q23 PolarHBondContact O-N 2.91Å; W20-A24 WeakPolarHBondContact O-CB 3.24Å; W20-A24 PolarHBondContact O-N 3.43Å; W20-E69 WeakPolarHBondContact CB-OE2 3.46Å; W20-E69 PolarHBondContact N-OE1 3.44Å; W20-E69 PolarHBondContact N-OE2 2.92Å; W20-T70 PolarHBondContact NE1-OG1 2.95Å; W20-I71 HydrophobicContact CZ2-CD1 3.99Å |
| 21 | S | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -37.3 | 172.5 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | L15 V16 T17 G18 A24 A25 E69 | L15-S21 WeakPolarHBondContact O-CB 3.21Å; V16-S21 WeakPolarHBondContact CA-OG 3.45Å; T17-S21 PolarHBondContact N-OG 3.32Å; G18-S21 PolarHBondContact N-OG 2.92Å; G18-S21 VanDerWaalsContact N-OG 3.17Å; G18-S21 PolarHBondContact O-OG 3.23Å; S21-A24 PolarHBondContact O-N 3.35Å; S21-A25 WeakPolarHBondContact O-CB 3.48Å; S21-A25 PolarHBondContact O-N 3.29Å; S21-E69 WeakPolarHBondContact CB-OE1 3.45Å; S21-E69 PolarHBondContact N-OE1 3.4Å; S21-E69 PolarHBondContact OG-OE1 3.05Å |
| 22 | Q | 97.6 | Very high | 96.9 | Very high | 85 Ų | 85 | 45.5 Ų | 45.5 | 40% | 0.397 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 173.5 | -175.1 | -177.4 | 73.6 | 0 | 0 | 112 | V16 G18 L19 W20 A24 A25 K26 F45 | V16-Q22 HydrophobicContact CG1-CB 3.76Å; V16-Q22 HydrophobicContact CG1-CG 4.43Å; G18-Q22 VanDerWaalsContact O-CB 3.25Å; G18-Q22 WeakPolarHBondContact O-CB 3.41Å; G18-Q22 PolarHBondContact O-N 2.8Å; G18-Q22 VanDerWaalsContact O-N 3.12Å; L19-Q22 PolarHBondContact O-N 3.33Å; W20-Q22 VanDerWaalsContact C-N 3.27Å; W20-Q22 PolarHBondContact O-N 3.29Å; Q22-A24 VanDerWaalsContact C-N 3.34Å; Q22-A25 PolarHBondContact O-N 3.21Å; Q22-K26 WeakPolarHBondContact O-CB 3.47Å; Q22-K26 PolarHBondContact O-N 3.07Å; Q22-F45 HydrophobicContact CB-CZ 4.46Å |
| 23 | Q | 97.9 | Very high | 96.9 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 175.2 | -68.5 | -51.5 | -41.5 | 0 | 0 | 111.4 | L19 W20 A25 K26 H27 | L19-Q23 WeakPolarHBondContact O-CG 3.42Å; L19-Q23 PolarHBondContact O-N 3.19Å; W20-Q23 PolarHBondContact O-N 2.91Å; Q23-A25 PolarHBondContact O-N 3.46Å; Q23-K26 PolarHBondContact O-N 3.42Å; Q23-H27 PolarHBondContact O-CD2 3.02Å; Q23-H27 PolarHBondContact O-N 2.83Å |
| 24 | A | 98.5 | Very high | 96.8 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y14 W20 S21 Q22 K26 H27 A28 Y64 | Y14-A24 HydrophobicContact CD1-CB 4.44Å; Y14-A24 HydrophobicContact CE1-CB 3.83Å; W20-A24 WeakPolarHBondContact O-CB 3.24Å; W20-A24 PolarHBondContact O-N 3.43Å; S21-A24 PolarHBondContact O-N 3.35Å; Q22-A24 VanDerWaalsContact C-N 3.34Å; A24-K26 PolarHBondContact O-N 3.41Å; A24-H27 PolarHBondContact O-N 3.14Å; A24-A28 WeakPolarHBondContact O-CB 3.38Å; A24-A28 PolarHBondContact O-N 3.32Å; A24-Y64 HydrophobicContact CB-CD1 4.42Å; A24-Y64 HydrophobicContact CB-CE1 3.62Å; A24-Y64 HydrophobicContact CB-CE2 4.15Å; A24-Y64 VanDerWaalsContact CB-CZ 3.45Å; A24-Y64 VanDerWaalsContact CB-OH 3.28Å; A24-Y64 WeakPolarHBondContact CB-OH 3.4Å |
| 25 | A | 98.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y14 V16 S21 Q22 Q23 H27 A28 A29 V34 | Y14-A25 HydrophobicContact CD1-CB 3.7Å; Y14-A25 HydrophobicContact CE1-CB 4.34Å; Y14-A25 HydrophobicContact CG-CB 3.95Å; V16-A25 HydrophobicContact CG2-CB 4.13Å; S21-A25 WeakPolarHBondContact O-CB 3.48Å; S21-A25 PolarHBondContact O-N 3.29Å; Q22-A25 PolarHBondContact O-N 3.21Å; Q23-A25 PolarHBondContact O-N 3.46Å; A25-H27 VanDerWaalsContact C-N 3.32Å; A25-H27 PolarHBondContact O-N 3.01Å; A25-A28 PolarHBondContact O-N 3.25Å; A25-A29 PolarHBondContact O-N 3.33Å; A25-A29 VanDerWaalsContact O-N 3.09Å; A25-V34 HydrophobicContact CB-CG1 3.95Å |
| 26 | K | 97.9 | Very high | 96.7 | Very high | 143 Ų | 143 | 58.4 Ų | 58.4 | 62% | 0.622 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.1 | -40.4 | 177 | -179 | -178.2 | 178.2 | -178.6 | 0 | 112.5 | Q22 Q23 A24 | Q22-K26 WeakPolarHBondContact O-CB 3.47Å; Q22-K26 PolarHBondContact O-N 3.07Å; Q23-K26 PolarHBondContact O-N 3.42Å; A24-K26 PolarHBondContact O-N 3.41Å |
| 27 | H | 96.7 | Very high | 96.7 | Very high | 99 Ų | 99 | 58.1 Ų | 58.1 | 46% | 0.458 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -74.4 | -36.8 | 179 | -84.5 | -104.3 | 0 | 0 | 0 | 112.3 | Q23 A24 A25 A29 K30 | Q23-H27 PolarHBondContact O-CD2 3.02Å; Q23-H27 PolarHBondContact O-N 2.83Å; A24-H27 PolarHBondContact O-N 3.14Å; A25-H27 VanDerWaalsContact C-N 3.32Å; A25-H27 PolarHBondContact O-N 3.01Å; H27-A29 VanDerWaalsContact C-N 3.27Å; H27-A29 PolarHBondContact O-N 3.02Å; H27-K30 WeakPolarHBondContact O-CB 3.44Å; H27-K30 WeakPolarHBondContact O-CG 3.44Å; H27-K30 PolarHBondContact O-N 3.03Å |
| 28 | A | 96.3 | Very high | 96.6 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 11% | 0.107 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -31.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y14 A24 A25 K30 Y31 G32 V34 | Y14-A28 HydrophobicContact CE1-CB 4.4Å; Y14-A28 HydrophobicContact CE2-CB 3.89Å; Y14-A28 VanDerWaalsContact OH-CB 3.23Å; Y14-A28 WeakPolarHBondContact OH-CB 3.47Å; A24-A28 WeakPolarHBondContact O-CB 3.38Å; A24-A28 PolarHBondContact O-N 3.32Å; A25-A28 PolarHBondContact O-N 3.25Å; A28-K30 PolarHBondContact O-N 3.36Å; A28-Y31 PolarHBondContact O-N 3.11Å; A28-G32 PolarHBondContact O-N 2.97Å; A28-V34 HydrophobicContact CB-CG2 3.72Å |
| 29 | A | 95.8 | Very high | 96.4 | Very high | 58 Ų | 58 | 63.8 Ų | 63.8 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -13.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A25 H27 Y31 G32 V34 | A25-A29 PolarHBondContact O-N 3.33Å; A25-A29 VanDerWaalsContact O-N 3.09Å; H27-A29 VanDerWaalsContact C-N 3.27Å; H27-A29 PolarHBondContact O-N 3.02Å; A29-Y31 VanDerWaalsContact C-N 3.27Å; A29-G32 WeakPolarHBondContact CA-O 3.48Å; A29-V34 HydrophobicContact CB-CG2 4.19Å |
| 30 | K | 93 | Very high | 96.3 | Very high | 150 Ų | 150 | 67.4 Ų | 67.4 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -18.3 | 171.1 | -60.4 | -179.8 | -177.8 | -178.4 | 0 | 113.3 | H27 A28 | H27-K30 WeakPolarHBondContact O-CB 3.44Å; H27-K30 WeakPolarHBondContact O-CG 3.44Å; H27-K30 PolarHBondContact O-N 3.03Å; A28-K30 PolarHBondContact O-N 3.36Å |
| 31 | Y | 91.7 | Very high | 96 | Very high | 147 Ų | 147 | 66.8 Ų | 66.8 | 58% | 0.576 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | -7.8 | -172.1 | -60.3 | -82.2 | 0 | 0 | 0 | 113.5 | A28 A29 | A28-Y31 PolarHBondContact O-N 3.11Å; A29-Y31 VanDerWaalsContact C-N 3.27Å |
| 32 | G | 92.8 | Very high | 95.7 | Very high | 14 Ų | 14 | 67.7 Ų | 67.7 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 177.3 | -173.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L10 A28 A29 | L10-G32 CarbonylContact O-C 3.52Å; L10-G32 VanDerWaalsContact O-CA 3.23Å; L10-G32 WeakPolarHBondContact O-CA 3.47Å; A28-G32 PolarHBondContact O-N 2.97Å; A29-G32 WeakPolarHBondContact CA-O 3.48Å |
| 33 | Q | 95.8 | Very high | 95.1 | Very high | 102 Ų | 102 | 69.5 Ų | 69.5 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 129.8 | 173.5 | -64.2 | 177.2 | 7.5 | 0 | 0 | 109.6 | L10 K11 A12 | L10-Q33 PolarHBondContact O-N 3.42Å; K11-Q33 CarbonylContact C-O 3.47Å; K11-Q33 VanDerWaalsContact CA-O 3.28Å; K11-Q33 WeakPolarHBondContact CA-O 3.22Å; K11-Q33 HydrophobicContact CG-CB 4.11Å; A12-Q33 PolarHBondContact N-O 2.94Å |
| 34 | V | 96.9 | Very high | 94.6 | Very high | 41 Ų | 41 | 74 Ų | 74 | 25% | 0.248 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.5 | 178.8 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | A12 Y14 A25 A28 A29 | A12-V34 WeakPolarHBondContact O-CA 3.27Å; Y14-V34 HydrophobicContact CD2-CG1 3.62Å; Y14-V34 HydrophobicContact CE2-CG1 4.25Å; Y14-V34 HydrophobicContact CE2-CG2 4.42Å; Y14-V34 HydrophobicContact CG-CG1 4Å; A25-V34 HydrophobicContact CB-CG1 3.95Å; A28-V34 HydrophobicContact CB-CG2 3.72Å; A29-V34 HydrophobicContact CB-CG2 4.19Å |
| 35 | R | 97.2 | Very high | 94.5 | Very high | 75 Ų | 75 | 74.9 Ų | 74.9 | 28% | 0.283 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.5 | 170.4 | -174.5 | 177.7 | 175.7 | -142.4 | -5 | 108.9 | A12 D13 Y14 L37 E39 E55 S57 | A12-R35 PolarHBondContact O-N 3.5Å; D13-R35 CarbonylContact C-O 3.57Å; D13-R35 WeakPolarHBondContact CA-O 3.42Å; Y14-R35 PolarHBondContact N-O 3.41Å; R35-L37 HydrophobicContact CG-CD2 4.39Å; R35-E39 WeakPolarHBondContact CG-OE1 3.46Å; R35-E39 IonicContact CZ-OE1 3.24Å; R35-E39 IonicContact CZ-OE2 2.8Å; R35-E39 VanDerWaalsContact NE-CD 3.34Å; R35-E39 IonicContact NE-OE1 2.68Å; R35-E39 PolarHBondContact NE-OE1 3.11Å; R35-E39 IonicContact NE-OE2 3.22Å; R35-E39 PolarHBondContact NE-OE2 3.01Å; R35-E39 IonicContact NH2-OE1 3.38Å; R35-E39 IonicContact NH2-OE2 3.44Å; R35-E39 PolarHBondContact NH2-OE2 2.83Å; R35-E55 PolarHBondContact NH1-O 3.12Å; R35-S57 PolarHBondContact NH1-OG 3.26Å |
| 36 | I | 97.6 | Very high | 94.4 | Very high | 69 Ų | 69 | 77.5 Ų | 77.5 | 35% | 0.354 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.2 | 178.5 | -65.5 | 176.8 | 0 | 0 | 0 | 108.1 | V16 E39 P41 | V16-I36 HydrophobicContact CB-CG2 3.95Å; V16-I36 HydrophobicContact CG2-CB 4.46Å; V16-I36 HydrophobicContact CG2-CG1 4.18Å; V16-I36 HydrophobicContact CG2-CG2 3.77Å; I36-E39 VanDerWaalsContact O-CG 3.29Å; I36-E39 WeakPolarHBondContact O-CG 3.33Å; I36-P41 HydrophobicContact CG2-CB 4.27Å; I36-P41 HydrophobicContact CG2-CG 4.11Å |
| 37 | L | 97.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 148.9 | 176 | -63.7 | -179.4 | 0 | 0 | 0 | 110.1 | D13 Y14 L15 V16 R35 E39 Y54 L63 | D13-L37 HydrophobicContact CB-CD1 3.76Å; D13-L37 HydrophobicContact CB-CG 4.42Å; Y14-L37 PolarHBondContact O-N 3.27Å; L15-L37 WeakPolarHBondContact CA-O 3.33Å; L15-L37 HydrophobicContact CD2-CB 3.81Å; V16-L37 PolarHBondContact N-O 3.35Å; V16-L37 VanDerWaalsContact N-O 3.07Å; R35-L37 HydrophobicContact CG-CD2 4.39Å; L37-E39 HydrophobicContact CD2-CG 4.26Å; L37-Y54 HydrophobicContact CD1-CD2 4.5Å; L37-L63 HydrophobicContact CD1-CD1 4.09Å |
| 38 | P | 96.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 70.3 Ų | 70.3 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | S | Bend | cis | -68.3 | 169.4 | -7.9 | 32.2 | -36.4 | 0 | 0 | 0 | 112.3 | P40 P41 L42 P49 E53 | P38-P40 CarbonylContact C-O 3.52Å; P38-P40 CarbonylContact O-C 3.6Å; P38-P40 VanDerWaalsContact O-O 3.09Å; P38-P41 VanDerWaalsContact O-CA 3.29Å; P38-P41 WeakPolarHBondContact O-CA 3.21Å; P38-P41 VanDerWaalsContact O-N 3.17Å; P38-L42 HydrophobicContact CG-CD2 3.79Å; P38-L42 HydrophobicContact CG-CG 3.79Å; P38-P49 HydrophobicContact CG-CB 4.2Å; P38-E53 VanDerWaalsContact CB-O 3.23Å; P38-E53 WeakPolarHBondContact CB-O 3.49Å |
| 39 | E | 94.1 | Very high | 94.4 | Very high | 113 Ų | 113 | 69.9 Ų | 69.9 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -114.8 | 114.5 | 172.8 | -71.4 | 176.2 | 159 | 0 | 0 | 108.7 | R35 I36 L37 | R35-E39 WeakPolarHBondContact CG-OE1 3.46Å; R35-E39 IonicContact CZ-OE1 3.24Å; R35-E39 IonicContact CZ-OE2 2.8Å; R35-E39 VanDerWaalsContact NE-CD 3.34Å; R35-E39 IonicContact NE-OE1 2.68Å; R35-E39 PolarHBondContact NE-OE1 3.11Å; R35-E39 IonicContact NE-OE2 3.22Å; R35-E39 PolarHBondContact NE-OE2 3.01Å; R35-E39 IonicContact NH2-OE1 3.38Å; R35-E39 IonicContact NH2-OE2 3.44Å; R35-E39 PolarHBondContact NH2-OE2 2.83Å; I36-E39 VanDerWaalsContact O-CG 3.29Å; I36-E39 WeakPolarHBondContact O-CG 3.33Å; L37-E39 HydrophobicContact CD2-CG 4.26Å |
| 40 | P | 93.4 | Very high | 94.3 | Very high | 114 Ų | 114 | 72.7 Ų | 72.7 | 74% | 0.74 | 35% | 0.353 | S | S | * | . | S | Bend | cis | -70.2 | 156.7 | 1.4 | 31.2 | -36.3 | 0 | 0 | 0 | 113.3 | P38 | P38-P40 CarbonylContact C-O 3.52Å; P38-P40 CarbonylContact O-C 3.6Å; P38-P40 VanDerWaalsContact O-O 3.09Å |
| 41 | P | 93 | Very high | 94.3 | Very high | 84 Ų | 84 | 70.4 Ų | 70.4 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 150.4 | 176.8 | -24.8 | 34.4 | 0 | 0 | 0 | 112.8 | I36 P38 D43 | I36-P41 HydrophobicContact CG2-CB 4.27Å; I36-P41 HydrophobicContact CG2-CG 4.11Å; P38-P41 VanDerWaalsContact O-CA 3.29Å; P38-P41 WeakPolarHBondContact O-CA 3.21Å; P38-P41 VanDerWaalsContact O-N 3.17Å; P41-D43 PolarHBondContact O-N 2.78Å |
| 42 | L | 91.9 | Very high | 94.4 | Very high | 20 Ų | 20 | 70.5 Ų | 70.5 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 128.2 | 176.2 | -64.5 | 174.8 | 0 | 0 | 0 | 111.1 | T17 P38 R47 P49 | T17-L42 HydrophobicContact CG2-CD1 4.15Å; P38-L42 HydrophobicContact CG-CD2 3.79Å; P38-L42 HydrophobicContact CG-CG 3.79Å; L42-R47 WeakPolarHBondContact CD1-O 3.38Å; L42-R47 HydrophobicContact CD2-CG 4.42Å; L42-R47 VanDerWaalsContact CD2-CZ 3.48Å; L42-R47 VanDerWaalsContact CD2-NH2 3.33Å; L42-P49 HydrophobicContact CD1-CB 4.49Å; L42-P49 HydrophobicContact CD1-CG 4.45Å |
| 43 | D | 84.2 | Confident | 94.4 | Very high | 122 Ų | 122 | 72.9 Ų | 72.9 | 65% | 0.652 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -74.8 | 141.8 | 169.7 | -168.5 | 23.8 | 0 | 0 | 0 | 110.3 | P41 F45 | P41-D43 PolarHBondContact O-N 2.78Å; D43-F45 PolarHBondContact O-N 3.34Å |
| 44 | K | 87.9 | Confident | 94.4 | Very high | 159 Ų | 159 | 68.9 Ų | 68.9 | 69% | 0.691 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | -0.1 | 173.9 | -61.3 | 171.2 | -168.9 | 173.1 | 0 | 118.5 | I46 | K44-I46 HydrophobicContact CB-CG2 3.91Å; K44-I46 PolarHBondContact O-N 2.82Å |
| 45 | F | 95.6 | Very high | 94.2 | Very high | 36 Ų | 36 | 73.9 Ų | 73.9 | 16% | 0.158 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 53.4 | 177.8 | -58.9 | -37.7 | 0 | 0 | 0 | 113.3 | V16 T17 G18 Q22 D43 N72 V74 | V16-F45 HydrophobicContact CG1-CE1 3.81Å; V16-F45 HydrophobicContact CG1-CZ 3.95Å; T17-F45 VanDerWaalsContact O-CB 3.3Å; T17-F45 WeakPolarHBondContact O-CB 3.5Å; G18-F45 VanDerWaalsContact CA-CG 3.49Å; Q22-F45 HydrophobicContact CB-CZ 4.46Å; D43-F45 PolarHBondContact O-N 3.34Å; F45-N72 HydrophobicContact CB-CB 4.4Å; F45-N72 VanDerWaalsContact CB-ND2 3.35Å; F45-N72 WeakPolarHBondContact CB-ND2 3.42Å; F45-V74 WeakPolarHBondContact O-CG2 3.26Å |
| 46 | I | 96.6 | Very high | 94.1 | Very high | 61 Ų | 61 | 71.1 Ų | 71.1 | 31% | 0.313 | 35% | 0.346 | S | S | . | . | trans | -104.9 | -0.9 | -176.2 | 61.4 | 168.7 | 0 | 0 | 0 | 114.4 | K44 P207 I208 S209 | K44-I46 HydrophobicContact CB-CG2 3.91Å; K44-I46 PolarHBondContact O-N 2.82Å; I46-P207 WeakPolarHBondContact CB-O 3.13Å; I46-P207 VanDerWaalsContact CG2-O 3.29Å; I46-P207 WeakPolarHBondContact CG2-O 3.45Å; I46-I208 HydrophobicContact CB-CD1 4.42Å; I46-I208 HydrophobicContact CG2-CD1 4.46Å; I46-I208 WeakPolarHBondContact O-CA 3.39Å; I46-I208 WeakPolarHBondContact O-CG2 3.49Å; I46-S209 PolarHBondContact O-N 3.29Å | ||
| 47 | R | 97.2 | Very high | 93.9 | Very high | 63 Ų | 63 | 68.8 Ų | 68.8 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -158.4 | 162.2 | -178.8 | 67.3 | -175.7 | -178.8 | 85.5 | -3.1 | 112.3 | L42 E53 V74 | L42-R47 WeakPolarHBondContact CD1-O 3.38Å; L42-R47 HydrophobicContact CD2-CG 4.42Å; L42-R47 VanDerWaalsContact CD2-CZ 3.48Å; L42-R47 VanDerWaalsContact CD2-NH2 3.33Å; R47-E53 IonicContact CZ-OE1 3.78Å; R47-E53 IonicContact CZ-OE2 3.48Å; R47-E53 IonicContact NH1-OE1 3.31Å; R47-E53 PolarHBondContact NH1-OE1 2.62Å; R47-E53 IonicContact NH1-OE2 3.38Å; R47-E53 PolarHBondContact NH1-OE2 2.86Å; R47-E53 IonicContact NH2-OE1 2.74Å; R47-E53 PolarHBondContact NH2-OE1 2.91Å; R47-E53 IonicContact NH2-OE2 2.74Å; R47-V74 VanDerWaalsContact C-CG1 3.4Å |
| 48 | F | 97.6 | Very high | 93.6 | Very high | 27 Ų | 27 | 75 Ų | 75 | 12% | 0.118 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 138 | 165 | -159 | -90.7 | 0 | 0 | 0 | 109 | L15 T17 Y65 V74 A76 V80 S212 | L15-F48 HydrophobicContact CD1-CE1 4.32Å; L15-F48 HydrophobicContact CD1-CZ 3.97Å; T17-F48 HydrophobicContact CG2-CD2 3.72Å; T17-F48 HydrophobicContact CG2-CE2 3.93Å; T17-F48 HydrophobicContact CG2-CG 4.39Å; F48-Y65 AromaticContact CE2-CD2 3.92Å; F48-Y65 HydrophobicContact CE2-CD2 3.92Å; F48-Y65 AromaticContact CZ-CD2 3.76Å; F48-Y65 HydrophobicContact CZ-CD2 3.76Å; F48-Y65 HydrophobicContact CZ-CE2 4.46Å; F48-Y65 HydrophobicContact CZ-CG 4.35Å; F48-V74 HydrophobicContact CB-CG1 4.08Å; F48-A76 HydrophobicContact CD1-CB 4.23Å; F48-A76 HydrophobicContact CD2-CB 3.75Å; F48-A76 HydrophobicContact CE1-CB 4.08Å; F48-A76 HydrophobicContact CE2-CB 3.61Å; F48-A76 HydrophobicContact CG-CB 4.08Å; F48-A76 HydrophobicContact CZ-CB 3.77Å; F48-V80 HydrophobicContact CE1-CG2 4.04Å; F48-V80 HydrophobicContact CZ-CG2 3.83Å; F48-S212 PolarHBondContact N-OG 3.22Å |
| 49 | P | 96.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 79.1 Ų | 79.1 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 140.6 | -179.2 | 30.9 | -34.2 | 0 | 0 | 0 | 110.9 | L15 T17 P38 L42 E53 Y54 | L15-P49 HydrophobicContact CD2-CG 3.9Å; T17-P49 VanDerWaalsContact CG2-CD 3.45Å; T17-P49 HydrophobicContact CG2-CG 4.34Å; P38-P49 HydrophobicContact CG-CB 4.2Å; L42-P49 HydrophobicContact CD1-CB 4.49Å; L42-P49 HydrophobicContact CD1-CG 4.45Å; P49-E53 HydrophobicContact CB-CB 4.38Å; P49-Y54 HydrophobicContact CB-CD1 4.1Å; P49-Y54 HydrophobicContact CB-CE1 4.4Å; P49-Y54 HydrophobicContact CG-CD1 4.13Å; P49-Y54 HydrophobicContact CG-CE1 4.2Å |
| 50 | K | 94.2 | Very high | 93.4 | Very high | 117 Ų | 117 | 73.8 Ų | 73.8 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 158.8 | 172.2 | -58.5 | -178.5 | 179.7 | -178.7 | 0 | 110.6 | E52 E53 Y54 | K50-E52 HydrophobicContact CB-CG 4.3Å; K50-E52 VanDerWaalsContact CD-OE1 3.3Å; K50-E52 WeakPolarHBondContact CD-OE1 3.45Å; K50-E52 PolarHBondContact O-N 3.38Å; K50-E53 HydrophobicContact CB-CG 4.18Å; K50-E53 WeakPolarHBondContact CB-OE2 3.2Å; K50-E53 WeakPolarHBondContact CG-OE2 3.48Å; K50-E53 PolarHBondContact N-OE2 2.83Å; K50-E53 WeakPolarHBondContact O-CB 3.43Å; K50-E53 PolarHBondContact O-N 3.03Å; K50-Y54 VanDerWaalsContact O-CD1 3.24Å; K50-Y54 WeakPolarHBondContact O-CD1 3.36Å; K50-Y54 WeakPolarHBondContact O-CE1 3.45Å |
| 51 | R | 92.8 | Very high | 93.4 | Very high | 103 Ų | 103 | 68.7 Ų | 68.7 | 39% | 0.389 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -58.7 | -36.2 | -173.9 | 179.1 | 61.5 | -168.8 | 89.6 | -1.4 | 112.6 | E53 Y54 | R51-E53 VanDerWaalsContact C-N 3.25Å; R51-E53 PolarHBondContact O-N 3.12Å; R51-Y54 PolarHBondContact NH1-O 2.97Å |
| 52 | E | 92.9 | Very high | 93.6 | Very high | 148 Ų | 148 | 66.9 Ų | 66.9 | 69% | 0.692 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -72.1 | -12.2 | 179 | 59.6 | -89.4 | -156.2 | 0 | 0 | 114.3 | K50 | K50-E52 HydrophobicContact CB-CG 4.3Å; K50-E52 VanDerWaalsContact CD-OE1 3.3Å; K50-E52 WeakPolarHBondContact CD-OE1 3.45Å; K50-E52 PolarHBondContact O-N 3.38Å |
| 53 | E | 94.2 | Very high | 93.9 | Very high | 65 Ų | 65 | 65.9 Ų | 65.9 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -88.8 | -4.3 | -177.9 | -60.8 | -177.6 | 71.5 | 0 | 0 | 113.5 | P38 R47 P49 K50 R51 | P38-E53 VanDerWaalsContact CB-O 3.23Å; P38-E53 WeakPolarHBondContact CB-O 3.49Å; R47-E53 IonicContact CZ-OE1 3.78Å; R47-E53 IonicContact CZ-OE2 3.48Å; R47-E53 IonicContact NH1-OE1 3.31Å; R47-E53 PolarHBondContact NH1-OE1 2.62Å; R47-E53 IonicContact NH1-OE2 3.38Å; R47-E53 PolarHBondContact NH1-OE2 2.86Å; R47-E53 IonicContact NH2-OE1 2.74Å; R47-E53 PolarHBondContact NH2-OE1 2.91Å; R47-E53 IonicContact NH2-OE2 2.74Å; P49-E53 HydrophobicContact CB-CB 4.38Å; K50-E53 HydrophobicContact CB-CG 4.18Å; K50-E53 WeakPolarHBondContact CB-OE2 3.2Å; K50-E53 WeakPolarHBondContact CG-OE2 3.48Å; K50-E53 PolarHBondContact N-OE2 2.83Å; K50-E53 WeakPolarHBondContact O-CB 3.43Å; K50-E53 PolarHBondContact O-N 3.03Å; R51-E53 VanDerWaalsContact C-N 3.25Å; R51-E53 PolarHBondContact O-N 3.12Å |
| 54 | Y | 94.8 | Very high | 94.6 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | trans | -143.9 | 143.9 | -179.7 | 61.4 | -92.6 | 0 | 0 | 0 | 113.2 | L15 L37 P49 K50 R51 V56 L63 L82 | L15-Y54 HydrophobicContact CD1-CE1 4.2Å; L15-Y54 HydrophobicContact CD1-CE2 4.23Å; L15-Y54 HydrophobicContact CD2-CD1 3.7Å; L15-Y54 HydrophobicContact CD2-CD2 3.94Å; L15-Y54 HydrophobicContact CD2-CE1 3.94Å; L15-Y54 HydrophobicContact CD2-CE2 4.19Å; L15-Y54 HydrophobicContact CD2-CG 3.69Å; L37-Y54 HydrophobicContact CD1-CD2 4.5Å; P49-Y54 HydrophobicContact CB-CD1 4.1Å; P49-Y54 HydrophobicContact CB-CE1 4.4Å; P49-Y54 HydrophobicContact CG-CD1 4.13Å; P49-Y54 HydrophobicContact CG-CE1 4.2Å; K50-Y54 VanDerWaalsContact O-CD1 3.24Å; K50-Y54 WeakPolarHBondContact O-CD1 3.36Å; K50-Y54 WeakPolarHBondContact O-CE1 3.45Å; R51-Y54 PolarHBondContact NH1-O 2.97Å; Y54-V56 HydrophobicContact CD2-CG2 4.24Å; Y54-V56 HydrophobicContact CE2-CG2 4.38Å; Y54-L63 HydrophobicContact CE2-CD2 4.21Å; Y54-L82 HydrophobicContact CE2-CD2 4.27Å | ||
| 55 | E | 93.3 | Very high | 95.1 | Very high | 146 Ų | 146 | 53.1 Ų | 53.1 | 68% | 0.682 | 25% | 0.254 | S | S | * | . | trans | -118.1 | 120.2 | 175 | -171.2 | -178.8 | 175 | 0 | 0 | 110.1 | R35 | R35-E55 PolarHBondContact NH1-O 3.12Š| ||
| 56 | V | 94.6 | Very high | 95.3 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 11% | 0.109 | 25% | 0.248 | C | C | . | . | trans | -79 | 128.2 | 178.7 | -176 | 0 | 0 | 0 | 0 | 108.9 | D13 Y54 L63 L82 | D13-V56 VanDerWaalsContact OD2-CG1 3.27Å; D13-V56 WeakPolarHBondContact OD2-CG1 3.46Å; Y54-V56 HydrophobicContact CD2-CG2 4.24Å; Y54-V56 HydrophobicContact CE2-CG2 4.38Å; V56-L63 HydrophobicContact CG1-CB 4.3Å; V56-L63 HydrophobicContact CG2-CB 4.47Å; V56-L63 HydrophobicContact CG2-CD1 4.13Å; V56-L63 HydrophobicContact CG2-CD2 3.85Å; V56-L63 HydrophobicContact CG2-CG 4.39Å; V56-L82 HydrophobicContact CB-CD1 4.45Å; V56-L82 HydrophobicContact CG1-CD1 4.26Å; V56-L82 HydrophobicContact CG2-CD1 3.93Å; V56-L82 HydrophobicContact CG2-CD2 3.74Å | ||
| 57 | S | 92.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | trans | -64.1 | 135.4 | -177 | -43.7 | 0 | 0 | 0 | 0 | 110.5 | D13 R35 D59 S60 K86 | D13-S57 PolarHBondContact OD1-OG 3.32Å; D13-S57 WeakPolarHBondContact OD2-CB 3.35Å; D13-S57 PolarHBondContact OD2-N 3.13Å; D13-S57 PolarHBondContact OD2-OG 3.29Å; R35-S57 PolarHBondContact NH1-OG 3.26Å; S57-D59 WeakPolarHBondContact CB-OD1 3.3Å; S57-D59 PolarHBondContact O-N 3.12Å; S57-S60 PolarHBondContact O-N 3.46Å; S57-S60 PolarHBondContact O-OG 3.03Å; S57-K86 WeakPolarHBondContact O-CE 3.45Å; S57-K86 PolarHBondContact O-NZ 2.99Å | ||
| 58 | T | 91.4 | Very high | 95.4 | Very high | 131 Ų | 131 | 45.7 Ų | 45.7 | 80% | 0.804 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.5 | 179.2 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | K86 | T58-K86 WeakPolarHBondContact O-CE 3.48Å; T58-K86 PolarHBondContact O-NZ 3.38Å |
| 59 | D | 92.2 | Very high | 95.5 | Very high | 93 Ų | 93 | 44.4 Ų | 44.4 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -1.1 | 177 | 67.5 | -16.4 | 0 | 0 | 0 | 114.3 | K11 S57 | K11-D59 WeakPolarHBondContact CD-OD2 3.41Å; K11-D59 WeakPolarHBondContact CE-OD2 3.17Å; K11-D59 IonicContact NZ-OD2 3.73Å; K11-D59 PolarHBondContact NZ-OD2 3.31Å; S57-D59 WeakPolarHBondContact CB-OD1 3.3Å; S57-D59 PolarHBondContact O-N 3.12Å |
| 60 | S | 94.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | trans | -69.4 | 140.7 | 175.7 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | K11 D13 S57 Y62 K86 | K11-S60 CarbonylContact O-C 3.54Å; K11-S60 WeakPolarHBondContact O-CA 3.5Å; D13-S60 WeakPolarHBondContact OD2-CB 3.49Å; D13-S60 PolarHBondContact OD2-OG 3.37Å; S57-S60 PolarHBondContact O-N 3.46Å; S57-S60 PolarHBondContact O-OG 3.03Å; S60-Y62 VanDerWaalsContact C-N 3.33Å; S60-K86 PolarHBondContact O-NZ 3.24Å | ||
| 61 | A | 94.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 39 Ų | 39 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -66.5 | -30.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1 L3 L10 K11 | M1-A61 VanDerWaalsContact CE-C 3.49Å; M1-A61 WeakPolarHBondContact CE-O 3.26Å; L3-A61 HydrophobicContact CD2-CB 3.32Å; L10-A61 HydrophobicContact CD2-CB 3.99Å; L10-A61 HydrophobicContact CG-CB 4.11Å; K11-A61 WeakPolarHBondContact O-CB 3.49Å; K11-A61 PolarHBondContact O-N 3.19Å |
| 62 | Y | 96.7 | Very high | 95.9 | Very high | 45 Ų | 45 | 35 Ų | 35 | 18% | 0.176 | 18% | 0.179 | C | C | . | . | trans | -171.6 | 161.8 | 174.8 | 52 | -91.6 | 0 | 0 | 0 | 109 | A12 D13 Y14 S60 V87 V89 | A12-Y62 HydrophobicContact CB-CD1 4.38Å; A12-Y62 HydrophobicContact CB-CD2 4.13Å; A12-Y62 HydrophobicContact CB-CE1 3.93Å; A12-Y62 HydrophobicContact CB-CE2 3.66Å; A12-Y62 HydrophobicContact CB-CG 4.46Å; D13-Y62 PolarHBondContact N-O 3.42Å; Y14-Y62 AromaticContact CE2-CE2 3.65Å; Y14-Y62 HydrophobicContact CE2-CE2 3.65Å; Y14-Y62 AromaticContact CZ-CE2 3.88Å; Y14-Y62 PolarHBondContact OH-OH 3.25Å; Y14-Y62 VanDerWaalsContact OH-OH 3.09Å; S60-Y62 VanDerWaalsContact C-N 3.33Å; Y62-V87 CarbonylContact C-O 3.6Å; Y62-V87 WeakPolarHBondContact CA-O 3.42Å; Y62-V87 VanDerWaalsContact CB-O 3.29Å; Y62-V87 WeakPolarHBondContact CB-O 3.4Å; Y62-V89 HydrophobicContact CD2-CB 4.19Å; Y62-V89 HydrophobicContact CD2-CG2 3.73Å; Y62-V89 HydrophobicContact CE2-CG2 4.46Å; Y62-V89 HydrophobicContact CG-CG2 3.78Å | ||
| 63 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.9 | 158.7 | -179.4 | 67.9 | 0 | 0 | 0 | 108.7 | D13 L15 L37 Y54 V56 V80 L82 V87 V88 V89 | D13-L63 HydrophobicContact CB-CD1 3.68Å; D13-L63 CarbonylContact O-C 3.52Å; D13-L63 WeakPolarHBondContact O-CA 3.42Å; L15-L63 HydrophobicContact CD1-CD2 4.15Å; L15-L63 HydrophobicContact CG-CD1 4.08Å; L15-L63 HydrophobicContact CG-CD2 4.48Å; L37-L63 HydrophobicContact CD1-CD1 4.09Å; Y54-L63 HydrophobicContact CE2-CD2 4.21Å; V56-L63 HydrophobicContact CG1-CB 4.3Å; V56-L63 HydrophobicContact CG2-CB 4.47Å; V56-L63 HydrophobicContact CG2-CD1 4.13Å; V56-L63 HydrophobicContact CG2-CD2 3.85Å; V56-L63 HydrophobicContact CG2-CG 4.39Å; L63-V80 HydrophobicContact CD2-CG1 3.8Å; L63-L82 HydrophobicContact CB-CD1 4.2Å; L63-L82 HydrophobicContact CD2-CD1 4.03Å; L63-L82 HydrophobicContact CD2-CD2 3.83Å; L63-L82 HydrophobicContact CD2-CG 4.32Å; L63-V87 PolarHBondContact N-O 3.18Å; L63-V88 CarbonylContact O-C 3.52Å; L63-V88 WeakPolarHBondContact O-CA 3.47Å; L63-V89 PolarHBondContact O-N 3.19Å |
| 64 | Y | 98.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 25 Ų | 25 | 5% | 0.051 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.6 | 172.4 | 179.6 | -79 | 0 | 0 | 0 | 111 | D13 Y14 L15 A24 V89 D91 F110 | D13-Y64 PolarHBondContact O-N 3.4Å; Y14-Y64 AromaticContact CD1-CD1 3.33Å; Y14-Y64 HydrophobicContact CD1-CD1 3.33Å; Y14-Y64 HydrophobicContact CD1-CD2 4.48Å; Y14-Y64 HydrophobicContact CD1-CE1 4.1Å; Y14-Y64 AromaticContact CD1-CG 3.58Å; Y14-Y64 HydrophobicContact CD1-CG 3.58Å; Y14-Y64 AromaticContact CE1-CD1 3.33Å; Y14-Y64 HydrophobicContact CE1-CD1 3.33Å; Y14-Y64 AromaticContact CE1-CD2 3.71Å; Y14-Y64 HydrophobicContact CE1-CD2 3.71Å; Y14-Y64 AromaticContact CE1-CE1 3.92Å; Y14-Y64 HydrophobicContact CE1-CE1 3.92Å; Y14-Y64 HydrophobicContact CE1-CE2 4.22Å; Y14-Y64 AromaticContact CE1-CG 3.22Å; Y14-Y64 HydrophobicContact CE1-CG 3.22Å; Y14-Y64 HydrophobicContact CE2-CG 4.47Å; Y14-Y64 HydrophobicContact CG-CD1 4.27Å; Y14-Y64 HydrophobicContact CG-CG 4.32Å; Y14-Y64 AromaticContact CZ-CD2 3.98Å; Y14-Y64 AromaticContact CZ-CG 3.72Å; L15-Y64 PolarHBondContact N-O 3.46Å; A24-Y64 HydrophobicContact CB-CD1 4.42Å; A24-Y64 HydrophobicContact CB-CE1 3.62Å; A24-Y64 HydrophobicContact CB-CE2 4.15Å; A24-Y64 VanDerWaalsContact CB-CZ 3.45Å; A24-Y64 VanDerWaalsContact CB-OH 3.28Å; A24-Y64 WeakPolarHBondContact CB-OH 3.4Å; Y64-V89 CarbonylContact C-O 3.33Å; Y64-V89 WeakPolarHBondContact CA-O 3.42Å; Y64-V89 HydrophobicContact CD2-CB 4.11Å; Y64-V89 HydrophobicContact CD2-CG1 3.69Å; Y64-V89 HydrophobicContact CE2-CG1 4.17Å; Y64-D91 VanDerWaalsContact OH-CB 3.31Å; Y64-D91 WeakPolarHBondContact OH-CB 3.4Å; Y64-F110 AromaticContact CE2-CE1 3.93Å; Y64-F110 HydrophobicContact CE2-CE1 3.93Å; Y64-F110 HydrophobicContact CE2-CZ 4.23Å |
| 65 | Y | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 159.5 | 164.7 | 80.2 | -75.3 | 0 | 0 | 0 | 112.3 | F48 A76 V80 V88 V89 A90 D91 H106 | F48-Y65 AromaticContact CE2-CD2 3.92Å; F48-Y65 HydrophobicContact CE2-CD2 3.92Å; F48-Y65 AromaticContact CZ-CD2 3.76Å; F48-Y65 HydrophobicContact CZ-CD2 3.76Å; F48-Y65 HydrophobicContact CZ-CE2 4.46Å; F48-Y65 HydrophobicContact CZ-CG 4.35Å; Y65-A76 HydrophobicContact CD2-CB 4.43Å; Y65-A76 HydrophobicContact CE2-CB 4.05Å; Y65-V80 HydrophobicContact CD1-CB 4.06Å; Y65-V80 HydrophobicContact CD1-CG2 3.82Å; Y65-V80 HydrophobicContact CD2-CG2 3.84Å; Y65-V80 HydrophobicContact CE1-CB 3.81Å; Y65-V80 HydrophobicContact CE1-CG2 3.82Å; Y65-V80 HydrophobicContact CE2-CG2 3.84Å; Y65-V80 HydrophobicContact CG-CG2 3.83Å; Y65-V88 HydrophobicContact CD1-CG1 3.91Å; Y65-V88 HydrophobicContact CE1-CG1 3.68Å; Y65-V89 PolarHBondContact N-O 3.5Å; Y65-A90 HydrophobicContact CD1-CB 4.12Å; Y65-A90 HydrophobicContact CE1-CB 3.47Å; Y65-A90 VanDerWaalsContact CE1-CB 3.47Å; Y65-A90 WeakPolarHBondContact O-CA 3.23Å; Y65-D91 PolarHBondContact O-N 2.91Å; Y65-H106 AromaticContact CE1-NE2 3.94Å; Y65-H106 AromaticContact CZ-NE2 3.91Å; Y65-H106 PolarHBondContact OH-NE2 2.78Å |
| 66 | C | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.6 | 166.4 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | N68 E69 D91 | C66-N68 VanDerWaalsContact C-N 3.3Å; C66-N68 PolarHBondContact O-N 3.15Å; C66-N68 PolarHBondContact SG-O 3.3Å; C66-N68 VanDerWaalsContact SG-O 3.42Å; C66-E69 HydrophobicContact CB-CG 4.33Å; C66-D91 HydrophobicContact CB-CB 4.38Å |
| 67 | S | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -71.9 | -26 | -176.6 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | E75 A76 D91 T92 N95 | S67-E75 WeakPolarHBondContact O-CA 3.41Å; S67-E75 WeakPolarHBondContact O-CG 3.32Å; S67-A76 PolarHBondContact O-N 3.1Å; S67-D91 PolarHBondContact N-O 3.49Å; S67-D91 PolarHBondContact OG-O 3.04Å; S67-D91 VanDerWaalsContact OG-O 3.06Å; S67-T92 WeakPolarHBondContact OG-CA 3.36Å; S67-N95 PolarHBondContact OG-ND2 2.74Å; S67-N95 PolarHBondContact OG-OD1 2.84Å |
| 68 | N | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 106.8 | 176.3 | -178.5 | 88.5 | 0 | 0 | 0 | 110.3 | C66 T70 V74 E75 S94 N95 S214 N217 | C66-N68 VanDerWaalsContact C-N 3.3Å; C66-N68 PolarHBondContact O-N 3.15Å; C66-N68 PolarHBondContact SG-O 3.3Å; C66-N68 VanDerWaalsContact SG-O 3.42Å; N68-T70 PolarHBondContact O-N 3.19Å; N68-V74 CarbonylContact C-O 3.46Å; N68-E75 HydrophobicContact CB-CG 4.35Å; N68-S94 WeakPolarHBondContact ND2-CB 3.46Å; N68-S94 PolarHBondContact ND2-OG 3.1Å; N68-S94 PolarHBondContact O-OG 3.48Å; N68-N95 HydrophobicContact CB-CB 3.84Å; N68-S214 WeakPolarHBondContact OD1-CB 3.45Å; N68-S214 PolarHBondContact OD1-OG 3.41Å; N68-N217 PolarHBondContact ND2-OD1 3.49Å |
| 69 | E | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 91 | 176.4 | -78.1 | -73.2 | -177.5 | 0 | 0 | 110.5 | T17 G18 L19 W20 S21 C66 I71 N72 G73 V74 | T17-E69 WeakPolarHBondContact OG1-CG 3.37Å; G18-E69 VanDerWaalsContact C-CD 3.45Å; G18-E69 VanDerWaalsContact C-OE1 3.31Å; G18-E69 WeakPolarHBondContact CA-OE1 3.49Å; G18-E69 PolarHBondContact N-OE1 2.85Å; L19-E69 PolarHBondContact N-OE2 2.91Å; W20-E69 WeakPolarHBondContact CB-OE2 3.46Å; W20-E69 PolarHBondContact N-OE1 3.44Å; W20-E69 PolarHBondContact N-OE2 2.92Å; S21-E69 WeakPolarHBondContact CB-OE1 3.45Å; S21-E69 PolarHBondContact N-OE1 3.4Å; S21-E69 PolarHBondContact OG-OE1 3.05Å; C66-E69 HydrophobicContact CB-CG 4.33Å; E69-I71 PolarHBondContact O-N 3.46Å; E69-N72 HydrophobicContact CB-CB 4.07Å; E69-N72 PolarHBondContact O-N 2.83Å; E69-N72 VanDerWaalsContact O-N 3.09Å; E69-G73 PolarHBondContact O-N 3.33Å; E69-V74 HydrophobicContact CB-CB 4.19Å; E69-V74 PolarHBondContact N-O 3.22Å |
| 70 | T | 98.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.018 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -34.9 | -170.9 | -34 | 0 | 0 | 0 | 0 | 114.1 | W20 N68 S94 N217 R253 Y257 | W20-T70 PolarHBondContact NE1-OG1 2.95Å; N68-T70 PolarHBondContact O-N 3.19Å; T70-S94 WeakPolarHBondContact OG1-CB 3.42Å; T70-S94 PolarHBondContact OG1-OG 2.75Å; T70-N217 WeakPolarHBondContact CA-OD1 3.44Å; T70-N217 VanDerWaalsContact CG2-OD1 3.3Å; T70-N217 WeakPolarHBondContact CG2-OD1 3.31Å; T70-N217 WeakPolarHBondContact O-CB 3.29Å; T70-R253 PolarHBondContact O-NH1 3.06Å; T70-Y257 VanDerWaalsContact CG2-OH 3.25Å; T70-Y257 WeakPolarHBondContact CG2-OH 3.44Å |
| 71 | I | 96.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 19.9 Ų | 19.9 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -41.5 | -175.2 | -73.8 | 167 | 0 | 0 | 0 | 111 | L19 W20 E69 H246 V249 | L19-I71 HydrophobicContact CB-CD1 4.31Å; L19-I71 HydrophobicContact CD2-CD1 3.4Å; L19-I71 HydrophobicContact CG-CD1 4.4Å; W20-I71 HydrophobicContact CZ2-CD1 3.99Å; E69-I71 PolarHBondContact O-N 3.46Å; I71-H246 HydrophobicContact CB-CB 4.44Å; I71-H246 HydrophobicContact CD1-CB 4.47Å; I71-H246 HydrophobicContact CG1-CB 4Å; I71-H246 HydrophobicContact CG2-CB 3.82Å; I71-V249 HydrophobicContact CG2-CG2 3.51Å |
| 72 | N | 97.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 20.3 Ų | 20.3 | 10% | 0.102 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -21.3 | -175 | -62.2 | 81.2 | 0 | 0 | 0 | 112.5 | G18 L19 F45 E69 V74 I208 P219 | G18-N72 WeakPolarHBondContact CA-OD1 3.47Å; L19-N72 PolarHBondContact N-OD1 2.89Å; F45-N72 HydrophobicContact CB-CB 4.4Å; F45-N72 VanDerWaalsContact CB-ND2 3.35Å; F45-N72 WeakPolarHBondContact CB-ND2 3.42Å; E69-N72 HydrophobicContact CB-CB 4.07Å; E69-N72 PolarHBondContact O-N 2.83Å; E69-N72 VanDerWaalsContact O-N 3.09Å; N72-V74 VanDerWaalsContact C-N 3.32Å; N72-V74 HydrophobicContact CB-CG2 4.23Å; N72-I208 WeakPolarHBondContact O-CD1 3.36Å; N72-I208 WeakPolarHBondContact O-CG1 3.23Å; N72-P219 WeakPolarHBondContact O-CG 3.34Å |
| 73 | G | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 24.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | E69 S214 N217 | E69-G73 PolarHBondContact O-N 3.33Å; G73-S214 WeakPolarHBondContact O-CB 3.38Å; G73-S214 PolarHBondContact O-N 3.43Å; G73-N217 VanDerWaalsContact CA-O 3.24Å; G73-N217 WeakPolarHBondContact CA-O 3.4Å |
| 74 | V | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 122.7 | 174.3 | 176 | 0 | 0 | 0 | 0 | 109 | F45 R47 F48 N68 E69 N72 I208 S212 | F45-V74 WeakPolarHBondContact O-CG2 3.26Å; R47-V74 VanDerWaalsContact C-CG1 3.4Å; F48-V74 HydrophobicContact CB-CG1 4.08Å; N68-V74 CarbonylContact C-O 3.46Å; E69-V74 HydrophobicContact CB-CB 4.19Å; E69-V74 PolarHBondContact N-O 3.22Å; N72-V74 VanDerWaalsContact C-N 3.32Å; N72-V74 HydrophobicContact CB-CG2 4.23Å; V74-I208 HydrophobicContact CG2-CD1 4.09Å; V74-I208 HydrophobicContact CG2-CG2 4.13Å; V74-S212 CarbonylContact C-O 3.11Å; V74-S212 VanDerWaalsContact CA-O 3.32Å; V74-S212 WeakPolarHBondContact CA-O 3.34Å |
| 75 | E | 98.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.1 | 176.2 | -175.2 | 169.8 | -156.5 | 0 | 0 | 111.5 | S67 N68 H77 N95 R99 S212 S214 H215 | S67-E75 WeakPolarHBondContact O-CA 3.41Å; S67-E75 WeakPolarHBondContact O-CG 3.32Å; N68-E75 HydrophobicContact CB-CG 4.35Å; E75-H77 PolarHBondContact O-N 3.03Å; E75-N95 PolarHBondContact OE1-ND2 3.08Å; E75-R99 IonicContact OE1-NE 3.74Å; E75-S212 PolarHBondContact N-O 2.76Å; E75-S214 WeakPolarHBondContact OE2-CA 3.45Å; E75-H215 IonicContact OE2-CD2 3.28Å; E75-H215 PolarHBondContact OE2-CD2 3.22Å; E75-H215 IonicContact OE2-CG 2.93Å; E75-H215 PolarHBondContact OE2-N 2.81Å |
| 76 | A | 98 | Very high | 95.1 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | trans | -81.7 | 102.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | F48 Y65 S67 D78 R99 | F48-A76 HydrophobicContact CD1-CB 4.23Å; F48-A76 HydrophobicContact CD2-CB 3.75Å; F48-A76 HydrophobicContact CE1-CB 4.08Å; F48-A76 HydrophobicContact CE2-CB 3.61Å; F48-A76 HydrophobicContact CG-CB 4.08Å; F48-A76 HydrophobicContact CZ-CB 3.77Å; Y65-A76 HydrophobicContact CD2-CB 4.43Å; Y65-A76 HydrophobicContact CE2-CB 4.05Å; S67-A76 PolarHBondContact O-N 3.1Å; A76-D78 VanDerWaalsContact C-N 3.28Å; A76-D78 PolarHBondContact O-N 2.79Å; A76-R99 PolarHBondContact O-NH2 3.19Å | ||
| 77 | H | 96.4 | Very high | 95 | Very high | 70 Ų | 70 | 34.4 Ų | 34.4 | 32% | 0.324 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -64.5 | -36.4 | 179.3 | -67.3 | 178.1 | 0 | 0 | 0 | 111.7 | E75 R213 H215 | E75-H77 PolarHBondContact O-N 3.03Å; H77-R213 PolarHBondContact NE2-O 3.49Å; H77-H215 AromaticContact NE2-NE2 3.83Å |
| 78 | D | 95.1 | Very high | 95 | Very high | 137 Ų | 137 | 34.6 Ų | 34.6 | 73% | 0.733 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -101.4 | 152.3 | 171.8 | -64.4 | -60.6 | 0 | 0 | 0 | 111.8 | A76 | A76-D78 VanDerWaalsContact C-N 3.28Å; A76-D78 PolarHBondContact O-N 2.79Å |
| 79 | D | 96.4 | Very high | 95 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | trans | -71 | 137.4 | 169.8 | -63.7 | -28.5 | 0 | 0 | 0 | 110.6 | D81 R99 F101 A102 K105 H106 | D79-D81 PolarHBondContact O-N 2.76Å; D79-D81 VanDerWaalsContact O-N 3.08Å; D79-R99 IonicContact OD1-CZ 3.27Å; D79-R99 IonicContact OD1-NH1 2.73Å; D79-R99 PolarHBondContact OD1-NH1 3.08Å; D79-R99 IonicContact OD1-NH2 3.98Å; D79-R99 PolarHBondContact OD1-NH2 3.48Å; D79-F101 WeakPolarHBondContact OD1-CD1 3.49Å; D79-A102 WeakPolarHBondContact OD2-CB 3.43Å; D79-A102 PolarHBondContact OD2-N 3.39Å; D79-K105 HydrophobicContact CB-CD 4.1Å; D79-H106 IonicContact OD2-CE1 3.78Å | ||
| 80 | V | 95.7 | Very high | 95 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | trans | -66.2 | 113.5 | 178.2 | 174.6 | 0 | 0 | 0 | 0 | 109.1 | L15 F48 L63 Y65 L82 V88 | L15-V80 HydrophobicContact CD1-CG2 4.25Å; F48-V80 HydrophobicContact CE1-CG2 4.04Å; F48-V80 HydrophobicContact CZ-CG2 3.83Å; L63-V80 HydrophobicContact CD2-CG1 3.8Å; Y65-V80 HydrophobicContact CD1-CB 4.06Å; Y65-V80 HydrophobicContact CD1-CG2 3.82Å; Y65-V80 HydrophobicContact CD2-CG2 3.84Å; Y65-V80 HydrophobicContact CE1-CB 3.81Å; Y65-V80 HydrophobicContact CE1-CG2 3.82Å; Y65-V80 HydrophobicContact CE2-CG2 3.84Å; Y65-V80 HydrophobicContact CG-CG2 3.83Å; V80-L82 HydrophobicContact CG1-CD2 4.18Å; V80-V88 HydrophobicContact CB-CG1 4.29Å; V80-V88 HydrophobicContact CG1-CG1 4.38Å | ||
| 81 | D | 90.1 | Very high | 95 | Very high | 79 Ų | 79 | 36 Ų | 36 | 42% | 0.422 | 21% | 0.209 | S | C | . | . | trans | -117.9 | 117.7 | 177.8 | -164.6 | -20.1 | 0 | 0 | 0 | 109.7 | D79 G83 K105 | D79-D81 PolarHBondContact O-N 2.76Å; D79-D81 VanDerWaalsContact O-N 3.08Å; D81-G83 PolarHBondContact OD1-N 2.9Å; D81-K105 HydrophobicContact CB-CD 3.98Å; D81-K105 WeakPolarHBondContact OD2-CE 3.47Å; D81-K105 IonicContact OD2-NZ 2.98Å; D81-K105 PolarHBondContact OD2-NZ 2.96Å | ||
| 82 | L | 89.4 | Confident | 95.1 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | trans | -88.6 | -9.3 | -179.1 | -61.4 | -179.5 | 0 | 0 | 0 | 112.8 | Y54 V56 L63 V80 T84 K86 V88 | Y54-L82 HydrophobicContact CE2-CD2 4.27Å; V56-L82 HydrophobicContact CB-CD1 4.45Å; V56-L82 HydrophobicContact CG1-CD1 4.26Å; V56-L82 HydrophobicContact CG2-CD1 3.93Å; V56-L82 HydrophobicContact CG2-CD2 3.74Å; L63-L82 HydrophobicContact CB-CD1 4.2Å; L63-L82 HydrophobicContact CD2-CD1 4.03Å; L63-L82 HydrophobicContact CD2-CD2 3.83Å; L63-L82 HydrophobicContact CD2-CG 4.32Å; V80-L82 HydrophobicContact CG1-CD2 4.18Å; L82-T84 PolarHBondContact O-N 2.94Å; L82-K86 HydrophobicContact CD1-CB 3.66Å; L82-V88 HydrophobicContact CD1-CG2 3.88Å; L82-V88 HydrophobicContact CG-CG2 4.03Å | ||
| 83 | G | 85.6 | Confident | 95.2 | Very high | 71 Ų | 71 | 35.4 Ų | 35.4 | 73% | 0.732 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 60.5 | 20.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D81 | D81-G83 PolarHBondContact OD1-N 2.9Š|
| 84 | T | 87.8 | Confident | 95.2 | Very high | 86 Ų | 86 | 35.5 Ų | 35.5 | 53% | 0.528 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -140.5 | 166.9 | -177.8 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | L82 K86 | L82-T84 PolarHBondContact O-N 2.94Å; T84-K86 PolarHBondContact O-N 2.93Å; T84-K86 VanDerWaalsContact O-N 3.07Å; T84-K86 WeakPolarHBondContact OG1-CB 3.27Å; T84-K86 PolarHBondContact OG1-N 3.5Å |
| 85 | D | 86.7 | Confident | 95.2 | Very high | 151 Ų | 151 | 35.5 Ų | 35.5 | 81% | 0.807 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -73.8 | 8.3 | 176.1 | -64 | -32.6 | 0 | 0 | 0 | 114 | V87 | D85-V87 PolarHBondContact O-N 3.28Š|
| 86 | K | 93.8 | Very high | 95.1 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 133.4 | 176.8 | -80 | -69.8 | -173.5 | 164.3 | 0 | 110.4 | S57 T58 S60 L82 T84 V88 | S57-K86 WeakPolarHBondContact O-CE 3.45Å; S57-K86 PolarHBondContact O-NZ 2.99Å; T58-K86 WeakPolarHBondContact O-CE 3.48Å; T58-K86 PolarHBondContact O-NZ 3.38Å; S60-K86 PolarHBondContact O-NZ 3.24Å; L82-K86 HydrophobicContact CD1-CB 3.66Å; T84-K86 PolarHBondContact O-N 2.93Å; T84-K86 VanDerWaalsContact O-N 3.07Å; T84-K86 WeakPolarHBondContact OG1-CB 3.27Å; T84-K86 PolarHBondContact OG1-N 3.5Å; K86-V88 PolarHBondContact O-N 2.96Å |
| 87 | V | 96.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 121.7 | 179.1 | 172.3 | 0 | 0 | 0 | 0 | 109.2 | M1 Y62 L63 D85 V89 L131 | M1-V87 HydrophobicContact CE-CB 3.66Å; M1-V87 HydrophobicContact CE-CG2 3.39Å; M1-V87 HydrophobicContact SD-CG2 3.97Å; Y62-V87 CarbonylContact C-O 3.6Å; Y62-V87 WeakPolarHBondContact CA-O 3.42Å; Y62-V87 VanDerWaalsContact CB-O 3.29Å; Y62-V87 WeakPolarHBondContact CB-O 3.4Å; L63-V87 PolarHBondContact N-O 3.18Å; D85-V87 PolarHBondContact O-N 3.28Å; V87-V89 HydrophobicContact CG1-CG2 4.16Å; V87-L131 HydrophobicContact CG1-CD1 3.88Å; V87-L131 HydrophobicContact CG2-CD1 4Å; V87-L131 HydrophobicContact CG2-CD2 3.75Å |
| 88 | V | 97.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.5 | 170.4 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | L63 Y65 V80 L82 K86 G107 L108 | L63-V88 CarbonylContact O-C 3.52Å; L63-V88 WeakPolarHBondContact O-CA 3.47Å; Y65-V88 HydrophobicContact CD1-CG1 3.91Å; Y65-V88 HydrophobicContact CE1-CG1 3.68Å; V80-V88 HydrophobicContact CB-CG1 4.29Å; V80-V88 HydrophobicContact CG1-CG1 4.38Å; L82-V88 HydrophobicContact CD1-CG2 3.88Å; L82-V88 HydrophobicContact CG-CG2 4.03Å; K86-V88 PolarHBondContact O-N 2.96Å; V88-G107 PolarHBondContact O-N 3.31Å; V88-L108 PolarHBondContact O-N 3.19Å |
| 89 | V | 98.5 | Very high | 95.3 | Very high | 17 Ų | 17 | 28 Ų | 28 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.2 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | Y62 L63 Y64 Y65 V87 L108 | Y62-V89 HydrophobicContact CD2-CB 4.19Å; Y62-V89 HydrophobicContact CD2-CG2 3.73Å; Y62-V89 HydrophobicContact CE2-CG2 4.46Å; Y62-V89 HydrophobicContact CG-CG2 3.78Å; L63-V89 PolarHBondContact O-N 3.19Å; Y64-V89 CarbonylContact C-O 3.33Å; Y64-V89 WeakPolarHBondContact CA-O 3.42Å; Y64-V89 HydrophobicContact CD2-CB 4.11Å; Y64-V89 HydrophobicContact CD2-CG1 3.69Å; Y64-V89 HydrophobicContact CE2-CG1 4.17Å; Y65-V89 PolarHBondContact N-O 3.5Å; V87-V89 HydrophobicContact CG1-CG2 4.16Å; V89-L108 CarbonylContact C-O 3.6Å; V89-L108 VanDerWaalsContact CA-O 3.29Å; V89-L108 WeakPolarHBondContact CA-O 3.47Å; V89-L108 HydrophobicContact CG1-CB 4.37Å; V89-L108 HydrophobicContact CG1-CD2 3.86Å; V89-L108 HydrophobicContact CG2-CB 4.26Å |
| 90 | A | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y65 T92 L108 M109 F110 | Y65-A90 HydrophobicContact CD1-CB 4.12Å; Y65-A90 HydrophobicContact CE1-CB 3.47Å; Y65-A90 VanDerWaalsContact CE1-CB 3.47Å; Y65-A90 WeakPolarHBondContact O-CA 3.23Å; A90-T92 HydrophobicContact CB-CG2 3.87Å; A90-L108 PolarHBondContact N-O 3.45Å; A90-M109 HydrophobicContact CB-CG 4.32Å; A90-M109 WeakPolarHBondContact O-CA 3.05Å; A90-F110 WeakPolarHBondContact O-CD1 3.38Å; A90-F110 PolarHBondContact O-N 3.13Å |
| 91 | D | 98.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 9% | 0.086 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 111 | 156.9 | -176.5 | -2.8 | 0 | 0 | 0 | 109.1 | Y64 Y65 C66 S67 S93 F110 | Y64-D91 VanDerWaalsContact OH-CB 3.31Å; Y64-D91 WeakPolarHBondContact OH-CB 3.4Å; Y65-D91 PolarHBondContact O-N 2.91Å; C66-D91 HydrophobicContact CB-CB 4.38Å; S67-D91 PolarHBondContact N-O 3.49Å; S67-D91 PolarHBondContact OG-O 3.04Å; S67-D91 VanDerWaalsContact OG-O 3.06Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 3.42Å; D91-S93 PolarHBondContact OD1-OG 3.06Å; D91-F110 HydrophobicContact CB-CE1 3.82Å; D91-F110 HydrophobicContact CB-CE2 3.86Å; D91-F110 HydrophobicContact CB-CZ 3.36Å; D91-F110 VanDerWaalsContact CG-CE2 3.48Å; D91-F110 WeakPolarHBondContact OD1-CE2 3.47Å |
| 92 | T | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -109.4 | 11.6 | -179.7 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | S67 A90 S94 N95 F96 F101 M109 F110 | S67-T92 WeakPolarHBondContact OG-CA 3.36Å; A90-T92 HydrophobicContact CB-CG2 3.87Å; T92-S94 VanDerWaalsContact C-N 3.27Å; T92-S94 PolarHBondContact O-N 3.29Å; T92-N95 PolarHBondContact O-N 2.74Å; T92-N95 PolarHBondContact O-OD1 3.24Å; T92-F96 VanDerWaalsContact O-CB 3.23Å; T92-F96 WeakPolarHBondContact O-CB 3.34Å; T92-F96 PolarHBondContact O-N 2.92Å; T92-F96 WeakPolarHBondContact OG1-CD2 3.28Å; T92-F101 HydrophobicContact CG2-CD1 4.28Å; T92-F101 HydrophobicContact CG2-CE1 3.58Å; T92-F101 HydrophobicContact CG2-CZ 3.74Å; T92-M109 HydrophobicContact CG2-CE 3.77Å; T92-F110 PolarHBondContact N-O 3.08Å; T92-F110 PolarHBondContact OG1-O 3.21Å | ||
| 93 | S | 98.7 | Very high | 96.1 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -42.5 | -169.3 | -68.1 | 0 | 0 | 0 | 0 | 115.2 | D91 C112 K115 | D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 3.42Å; D91-S93 PolarHBondContact OD1-OG 3.06Å; S93-C112 VanDerWaalsContact CB-SG 3.52Å; S93-C112 PolarHBondContact OG-N 2.99Å; S93-C112 PolarHBondContact OG-SG 3.38Å; S93-K115 VanDerWaalsContact O-CB 3.31Å; S93-K115 WeakPolarHBondContact O-CB 3.26Å |
| 94 | S | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -5.1 | -177.2 | 39.2 | 0 | 0 | 0 | 0 | 116.5 | N68 T70 T92 V216 Y257 | N68-S94 WeakPolarHBondContact ND2-CB 3.46Å; N68-S94 PolarHBondContact ND2-OG 3.1Å; N68-S94 PolarHBondContact O-OG 3.48Å; T70-S94 WeakPolarHBondContact OG1-CB 3.42Å; T70-S94 PolarHBondContact OG1-OG 2.75Å; T92-S94 VanDerWaalsContact C-N 3.27Å; T92-S94 PolarHBondContact O-N 3.29Å; S94-V216 WeakPolarHBondContact O-CG1 3.44Å; S94-Y257 WeakPolarHBondContact O-CE1 3.19Å |
| 95 | N | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | 7.2 | 174.9 | 69.5 | -14.5 | 0 | 0 | 0 | 113.8 | S67 N68 E75 T92 G97 T98 R99 F101 V216 | S67-N95 PolarHBondContact OG-ND2 2.74Å; S67-N95 PolarHBondContact OG-OD1 2.84Å; N68-N95 HydrophobicContact CB-CB 3.84Å; E75-N95 PolarHBondContact OE1-ND2 3.08Å; T92-N95 PolarHBondContact O-N 2.74Å; T92-N95 PolarHBondContact O-OD1 3.24Å; N95-G97 PolarHBondContact O-N 3.15Å; N95-T98 WeakPolarHBondContact CA-OG1 3.49Å; N95-T98 WeakPolarHBondContact CB-OG1 3.35Å; N95-T98 PolarHBondContact O-N 2.85Å; N95-T98 PolarHBondContact O-OG1 2.96Å; N95-R99 PolarHBondContact ND2-NE 2.67Å; N95-F101 WeakPolarHBondContact OD1-CZ 3.48Å; N95-V216 HydrophobicContact CB-CG2 4Å |
| 96 | F | 98 | Very high | 97.4 | Very high | 37 Ų | 37 | 25.6 Ų | 25.6 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -64 | 121.3 | 172.7 | -166.4 | -102.8 | 0 | 0 | 0 | 110.5 | T92 T98 M109 A111 N116 L117 I124 I126 | T92-F96 VanDerWaalsContact O-CB 3.23Å; T92-F96 WeakPolarHBondContact O-CB 3.34Å; T92-F96 PolarHBondContact O-N 2.92Å; T92-F96 WeakPolarHBondContact OG1-CD2 3.28Å; F96-T98 VanDerWaalsContact C-N 3.33Å; F96-M109 HydrophobicContact CE2-CE 4.41Å; F96-A111 HydrophobicContact CB-CB 3.51Å; F96-A111 HydrophobicContact CD1-CB 3.98Å; F96-A111 HydrophobicContact CD2-CB 4.37Å; F96-A111 HydrophobicContact CG-CB 3.7Å; F96-N116 PolarHBondContact O-ND2 2.96Å; F96-L117 HydrophobicContact CD1-CD1 3.44Å; F96-L117 VanDerWaalsContact CD1-CD1 3.44Å; F96-L117 HydrophobicContact CE1-CD1 3.81Å; F96-I124 HydrophobicContact CD1-CD1 4.41Å; F96-I124 HydrophobicContact CE1-CD1 3.97Å; F96-I126 HydrophobicContact CE2-CD1 3.96Å; F96-I126 HydrophobicContact CZ-CD1 3.87Å |
| 97 | G | 97.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 0.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | N95 N258 | N95-G97 PolarHBondContact O-N 3.15Å; G97-N258 PolarHBondContact O-ND2 2.78Å |
| 98 | T | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -16 | 171.4 | 72 | 0 | 0 | 0 | 0 | 112.5 | N95 F96 N116 F183 V216 | N95-T98 WeakPolarHBondContact CA-OG1 3.49Å; N95-T98 WeakPolarHBondContact CB-OG1 3.35Å; N95-T98 PolarHBondContact O-N 2.85Å; N95-T98 PolarHBondContact O-OG1 2.96Å; F96-T98 VanDerWaalsContact C-N 3.33Å; T98-N116 HydrophobicContact CG2-CB 4.47Å; T98-N116 VanDerWaalsContact CG2-ND2 3.27Å; T98-N116 WeakPolarHBondContact CG2-ND2 3.39Å; T98-F183 WeakPolarHBondContact O-CA 3.13Å; T98-F183 PolarHBondContact O-N 2.81Å; T98-V216 HydrophobicContact CG2-CG2 4.02Å |
| 99 | R | 97.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 4% | 0.038 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -146 | 158 | 174.6 | 69.7 | 169.6 | -177.3 | 81.1 | -14.3 | 111 | E75 A76 D79 N95 F101 I179 F183 | E75-R99 IonicContact OE1-NE 3.74Å; A76-R99 PolarHBondContact O-NH2 3.19Å; D79-R99 IonicContact OD1-CZ 3.27Å; D79-R99 IonicContact OD1-NH1 2.73Å; D79-R99 PolarHBondContact OD1-NH1 3.08Å; D79-R99 IonicContact OD1-NH2 3.98Å; D79-R99 PolarHBondContact OD1-NH2 3.48Å; N95-R99 PolarHBondContact ND2-NE 2.67Å; R99-F101 HydrophobicContact CG-CD2 4.27Å; R99-F101 HydrophobicContact CG-CE2 3.75Å; R99-F101 HydrophobicContact CG-CZ 4.15Å; R99-F101 VanDerWaalsContact CZ-CZ 3.48Å; R99-F101 VanDerWaalsContact NH1-CD1 3.34Å; R99-F101 VanDerWaalsContact NH1-CE1 3.35Å; R99-F101 VanDerWaalsContact NH2-CE1 3.26Å; R99-F101 WeakPolarHBondContact O-CD2 3.32Å; R99-I179 VanDerWaalsContact C-CG2 3.42Å; R99-I179 WeakPolarHBondContact O-CG2 3.28Å; R99-F183 HydrophobicContact CB-CD2 3.45Å; R99-F183 VanDerWaalsContact CB-CD2 3.45Å; R99-F183 HydrophobicContact CB-CE2 3.77Å; R99-F183 HydrophobicContact CB-CG 4.06Å |
| 100 | P | 97.6 | Very high | 97.7 | Very high | 47 Ų | 47 | 25.6 Ų | 25.6 | 31% | 0.305 | 15% | 0.148 | S | C | . | . | trans | -63.8 | 147.6 | 168.3 | 27.1 | -34 | 0 | 0 | 0 | 110.9 | I179 F183 | P100-I179 HydrophobicContact CB-CG2 4.45Å; P100-F183 HydrophobicContact CG-CD1 4.29Å | ||
| 101 | F | 97.7 | Very high | 97.7 | Very high | 30 Ų | 30 | 25.8 Ų | 25.8 | 13% | 0.132 | 15% | 0.15 | C | C | . | . | trans | -127.2 | 133.9 | 171.9 | -77.9 | -93.5 | 0 | 0 | 0 | 109.1 | D79 T92 N95 R99 V103 M109 | D79-F101 WeakPolarHBondContact OD1-CD1 3.49Å; T92-F101 HydrophobicContact CG2-CD1 4.28Å; T92-F101 HydrophobicContact CG2-CE1 3.58Å; T92-F101 HydrophobicContact CG2-CZ 3.74Å; N95-F101 WeakPolarHBondContact OD1-CZ 3.48Å; R99-F101 HydrophobicContact CG-CD2 4.27Å; R99-F101 HydrophobicContact CG-CE2 3.75Å; R99-F101 HydrophobicContact CG-CZ 4.15Å; R99-F101 VanDerWaalsContact CZ-CZ 3.48Å; R99-F101 VanDerWaalsContact NH1-CD1 3.34Å; R99-F101 VanDerWaalsContact NH1-CE1 3.35Å; R99-F101 VanDerWaalsContact NH2-CE1 3.26Å; R99-F101 WeakPolarHBondContact O-CD2 3.32Å; F101-V103 VanDerWaalsContact C-N 3.28Å; F101-V103 PolarHBondContact O-N 2.96Å; F101-M109 HydrophobicContact CB-CE 3.69Å; F101-M109 HydrophobicContact CD1-CE 3.46Å; F101-M109 VanDerWaalsContact CD1-CE 3.46Å; F101-M109 HydrophobicContact CD2-CE 4.28Å; F101-M109 HydrophobicContact CE1-CE 4.13Å; F101-M109 HydrophobicContact CG-CE 3.56Å | ||
| 102 | A | 96.5 | Very high | 97.7 | Very high | 36 Ų | 36 | 26.1 Ų | 26.1 | 30% | 0.298 | 15% | 0.153 | S | C | . | . | trans | -75.3 | 82 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | D79 S104 K105 H106 | D79-A102 WeakPolarHBondContact OD2-CB 3.43Å; D79-A102 PolarHBondContact OD2-N 3.39Å; A102-S104 PolarHBondContact O-N 3.12Å; A102-K105 HydrophobicContact CB-CD 3.88Å; A102-K105 HydrophobicContact CB-CG 3.89Å; A102-K105 WeakPolarHBondContact O-CB 3.19Å; A102-K105 PolarHBondContact O-N 3.36Å; A102-H106 PolarHBondContact O-ND1 2.85Å; A102-H106 VanDerWaalsContact O-ND1 3.13Å | ||
| 103 | V | 96.2 | Very high | 97.6 | Very high | 69 Ų | 69 | 26.3 Ų | 26.3 | 42% | 0.418 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -52.5 | -33.9 | -176.9 | 178.6 | 0 | 0 | 0 | 0 | 112.4 | F101 K105 H106 M109 I126 | F101-V103 VanDerWaalsContact C-N 3.28Å; F101-V103 PolarHBondContact O-N 2.96Å; V103-K105 PolarHBondContact O-N 2.95Å; V103-H106 PolarHBondContact O-N 3.15Å; V103-H106 VanDerWaalsContact O-N 3.08Å; V103-M109 HydrophobicContact CB-SD 4.39Å; V103-M109 HydrophobicContact CG1-SD 4.29Å; V103-M109 HydrophobicContact CG2-SD 4.18Å; V103-I126 HydrophobicContact CG1-CG2 3.79Å |
| 104 | S | 95 | Very high | 97.6 | Very high | 109 Ų | 109 | 29.5 Ų | 29.5 | 76% | 0.762 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -62.2 | -21.7 | 178.6 | 53.3 | 0 | 0 | 0 | 0 | 114.8 | A102 H106 | A102-S104 PolarHBondContact O-N 3.12Å; S104-H106 PolarHBondContact O-N 2.87Å |
| 105 | K | 95.6 | Very high | 97.5 | Very high | 82 Ų | 82 | 32.5 Ų | 32.5 | 36% | 0.357 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -76.5 | -10.2 | 176.2 | -61.6 | -171.4 | 178.4 | -152.3 | 0 | 113.3 | D79 D81 A102 V103 | D79-K105 HydrophobicContact CB-CD 4.1Å; D81-K105 HydrophobicContact CB-CD 3.98Å; D81-K105 WeakPolarHBondContact OD2-CE 3.47Å; D81-K105 IonicContact OD2-NZ 2.98Å; D81-K105 PolarHBondContact OD2-NZ 2.96Å; A102-K105 HydrophobicContact CB-CD 3.88Å; A102-K105 HydrophobicContact CB-CG 3.89Å; A102-K105 WeakPolarHBondContact O-CB 3.19Å; A102-K105 PolarHBondContact O-N 3.36Å; V103-K105 PolarHBondContact O-N 2.95Å |
| 106 | H | 97.4 | Very high | 97.5 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | trans | -111.3 | 136.8 | -173.1 | -56.6 | 87.1 | 0 | 0 | 0 | 110.7 | Y65 D79 A102 V103 S104 M109 | Y65-H106 AromaticContact CE1-NE2 3.94Å; Y65-H106 AromaticContact CZ-NE2 3.91Å; Y65-H106 PolarHBondContact OH-NE2 2.78Å; D79-H106 IonicContact OD2-CE1 3.78Å; A102-H106 PolarHBondContact O-ND1 2.85Å; A102-H106 VanDerWaalsContact O-ND1 3.13Å; V103-H106 PolarHBondContact O-N 3.15Å; V103-H106 VanDerWaalsContact O-N 3.08Å; S104-H106 PolarHBondContact O-N 2.87Å; H106-M109 HydrophobicContact CB-CG 3.46Å; H106-M109 VanDerWaalsContact CB-CG 3.46Å; H106-M109 HydrophobicContact CB-SD 3.97Å | ||
| 107 | G | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -78.6 | -35.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V88 R128 L131 | V88-G107 PolarHBondContact O-N 3.31Å; G107-R128 WeakPolarHBondContact O-CB 3.25Å; G107-R128 PolarHBondContact O-N 3.3Å; G107-L131 WeakPolarHBondContact O-CD1 3.3Å |
| 108 | L | 98.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 7% | 0.068 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 135.3 | 175.2 | -170.6 | 148.3 | 0 | 0 | 0 | 110.9 | V88 V89 A90 F110 V125 I126 V127 Y145 | V88-L108 PolarHBondContact O-N 3.19Å; V89-L108 CarbonylContact C-O 3.6Å; V89-L108 VanDerWaalsContact CA-O 3.29Å; V89-L108 WeakPolarHBondContact CA-O 3.47Å; V89-L108 HydrophobicContact CG1-CB 4.37Å; V89-L108 HydrophobicContact CG1-CD2 3.86Å; V89-L108 HydrophobicContact CG2-CB 4.26Å; A90-L108 PolarHBondContact N-O 3.45Å; L108-F110 HydrophobicContact CD2-CB 4.37Å; L108-F110 HydrophobicContact CD2-CD1 3.8Å; L108-V125 HydrophobicContact CD1-CG1 4.11Å; L108-V125 HydrophobicContact CD2-CG1 4.33Å; L108-V125 HydrophobicContact CG-CG1 4.12Å; L108-I126 CarbonylContact C-O 3.55Å; L108-I126 WeakPolarHBondContact CA-O 3.45Å; L108-V127 HydrophobicContact CD1-CB 4.26Å; L108-V127 HydrophobicContact CD1-CG2 4.08Å; L108-V127 HydrophobicContact CG-CB 4.45Å; L108-Y145 HydrophobicContact CD1-CD2 4.18Å; L108-Y145 HydrophobicContact CD1-CE1 4.43Å; L108-Y145 HydrophobicContact CD1-CE2 3.43Å; L108-Y145 VanDerWaalsContact CD1-CE2 3.43Å |
| 109 | M | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.8 | 166.4 | -56.6 | 170.7 | 69.2 | 0 | 0 | 108.5 | A90 T92 F96 F101 V103 H106 V125 I126 | A90-M109 HydrophobicContact CB-CG 4.32Å; A90-M109 WeakPolarHBondContact O-CA 3.05Å; T92-M109 HydrophobicContact CG2-CE 3.77Å; F96-M109 HydrophobicContact CE2-CE 4.41Å; F101-M109 HydrophobicContact CB-CE 3.69Å; F101-M109 HydrophobicContact CD1-CE 3.46Å; F101-M109 VanDerWaalsContact CD1-CE 3.46Å; F101-M109 HydrophobicContact CD2-CE 4.28Å; F101-M109 HydrophobicContact CE1-CE 4.13Å; F101-M109 HydrophobicContact CG-CE 3.56Å; V103-M109 HydrophobicContact CB-SD 4.39Å; V103-M109 HydrophobicContact CG1-SD 4.29Å; V103-M109 HydrophobicContact CG2-SD 4.18Å; H106-M109 HydrophobicContact CB-CG 3.46Å; H106-M109 VanDerWaalsContact CB-CG 3.46Å; H106-M109 HydrophobicContact CB-SD 3.97Å; M109-V125 WeakPolarHBondContact O-CA 3.45Å; M109-I126 HydrophobicContact CB-CB 4.41Å; M109-I126 PolarHBondContact N-O 3.44Å; M109-I126 PolarHBondContact O-N 2.92Å |
| 110 | F | 98.8 | Very high | 97.5 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 23% | 0.228 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.8 | 169.5 | 69.6 | -86.8 | 0 | 0 | 0 | 112.1 | Y64 A90 D91 T92 L108 T123 I124 V125 | Y64-F110 AromaticContact CE2-CE1 3.93Å; Y64-F110 HydrophobicContact CE2-CE1 3.93Å; Y64-F110 HydrophobicContact CE2-CZ 4.23Å; A90-F110 WeakPolarHBondContact O-CD1 3.38Å; A90-F110 PolarHBondContact O-N 3.13Å; D91-F110 HydrophobicContact CB-CE1 3.82Å; D91-F110 HydrophobicContact CB-CE2 3.86Å; D91-F110 HydrophobicContact CB-CZ 3.36Å; D91-F110 VanDerWaalsContact CG-CE2 3.48Å; D91-F110 WeakPolarHBondContact OD1-CE2 3.47Å; T92-F110 PolarHBondContact N-O 3.08Å; T92-F110 PolarHBondContact OG1-O 3.21Å; L108-F110 HydrophobicContact CD2-CB 4.37Å; L108-F110 HydrophobicContact CD2-CD1 3.8Å; F110-T123 HydrophobicContact CB-CG2 4.34Å; F110-I124 CarbonylContact C-O 3.4Å; F110-I124 WeakPolarHBondContact CA-O 3.47Å; F110-I124 WeakPolarHBondContact CB-O 3.38Å; F110-V125 HydrophobicContact CB-CG2 4.06Å |
| 111 | A | 98.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 125 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F96 T123 I124 | F96-A111 HydrophobicContact CB-CB 3.51Å; F96-A111 HydrophobicContact CD1-CB 3.98Å; F96-A111 HydrophobicContact CD2-CB 4.37Å; F96-A111 HydrophobicContact CG-CB 3.7Å; A111-T123 CarbonylContact O-C 3.57Å; A111-T123 WeakPolarHBondContact O-CA 3.16Å; A111-I124 PolarHBondContact N-O 3.3Å; A111-I124 PolarHBondContact O-N 2.91Å |
| 112 | C | 98.3 | Very high | 97.5 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.4 | 165.5 | 64.7 | 0 | 0 | 0 | 0 | 109.7 | S93 Q114 | S93-C112 VanDerWaalsContact CB-SG 3.52Å; S93-C112 PolarHBondContact OG-N 2.99Å; S93-C112 PolarHBondContact OG-SG 3.38Å; C112-Q114 VanDerWaalsContact C-N 3.29Å; C112-Q114 VanDerWaalsContact CB-OE1 3.26Å; C112-Q114 PolarHBondContact O-N 3.36Å; C112-Q114 PolarHBondContact SG-NE2 3.11Å |
| 113 | V | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -72.2 | -22.1 | -164.8 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | K115 N116 L117 G118 V119 L122 I124 L166 | V113-K115 PolarHBondContact O-N 3.3Å; V113-N116 PolarHBondContact O-N 3.36Å; V113-L117 HydrophobicContact CB-CB 4.33Å; V113-L117 CarbonylContact O-C 3.52Å; V113-L117 PolarHBondContact O-N 3.44Å; V113-G118 PolarHBondContact O-N 3.13Å; V113-V119 VanDerWaalsContact CG2-O 3.23Å; V113-V119 WeakPolarHBondContact CG2-O 3.27Å; V113-L122 HydrophobicContact CG1-CB 4.38Å; V113-L122 HydrophobicContact CG1-CD2 4.14Å; V113-L122 HydrophobicContact CG1-CG 4.06Å; V113-L122 HydrophobicContact CG2-CB 3.91Å; V113-L122 HydrophobicContact CG2-CG 4.45Å; V113-L122 WeakPolarHBondContact CG2-O 3.45Å; V113-L122 PolarHBondContact N-O 3.43Å; V113-I124 HydrophobicContact CG1-CD1 3.91Å; V113-I124 HydrophobicContact CG1-CG1 3.86Å; V113-L166 HydrophobicContact CG1-CD1 4.22Å; V113-L166 HydrophobicContact CG1-CD2 4.34Å |
| 114 | Q | 98 | Very high | 97.7 | Very high | 81 Ų | 81 | 39.1 Ų | 39.1 | 38% | 0.379 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -68.8 | -9.4 | -169.7 | 71.9 | -82.9 | 7.5 | 0 | 0 | 116.2 | C112 G118 A120 | C112-Q114 VanDerWaalsContact C-N 3.29Å; C112-Q114 VanDerWaalsContact CB-OE1 3.26Å; C112-Q114 PolarHBondContact O-N 3.36Å; C112-Q114 PolarHBondContact SG-NE2 3.11Å; Q114-G118 WeakPolarHBondContact CA-O 3.34Å; Q114-A120 HydrophobicContact CB-CB 3.8Å; Q114-A120 HydrophobicContact CG-CB 3.99Å |
| 115 | K | 97.2 | Very high | 97.9 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -76.9 | -46.6 | 174.7 | -64.1 | -61.4 | -172.5 | 179.8 | 0 | 110.9 | S93 V113 Y257 | S93-K115 VanDerWaalsContact O-CB 3.31Å; S93-K115 WeakPolarHBondContact O-CB 3.26Å; V113-K115 PolarHBondContact O-N 3.3Å; K115-Y257 HydrophobicContact CB-CE1 3.93Å; K115-Y257 VanDerWaalsContact O-CD1 3.32Å; K115-Y257 WeakPolarHBondContact O-CD1 3.5Å; K115-Y257 WeakPolarHBondContact O-CD2 3.31Å |
| 116 | N | 98.1 | Very high | 98 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 8% | 0.08 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.1 | -28 | -166.2 | -168.4 | 52.7 | 0 | 0 | 0 | 114.8 | F96 T98 V113 Y257 N258 | F96-N116 PolarHBondContact O-ND2 2.96Å; T98-N116 HydrophobicContact CG2-CB 4.47Å; T98-N116 VanDerWaalsContact CG2-ND2 3.27Å; T98-N116 WeakPolarHBondContact CG2-ND2 3.39Å; V113-N116 PolarHBondContact O-N 3.36Å; N116-Y257 HydrophobicContact CB-CD1 4.1Å; N116-N258 PolarHBondContact ND2-ND2 3.5Å; N116-N258 WeakPolarHBondContact OD1-CB 3.42Å; N116-N258 VanDerWaalsContact OD1-CG 3.29Å; N116-N258 PolarHBondContact OD1-N 2.85Å |
| 117 | L | 97.4 | Very high | 98 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 3.9 | -167 | -65.1 | -171.8 | 0 | 0 | 0 | 115 | F96 V113 I124 L166 V169 L170 | F96-L117 HydrophobicContact CD1-CD1 3.44Å; F96-L117 VanDerWaalsContact CD1-CD1 3.44Å; F96-L117 HydrophobicContact CE1-CD1 3.81Å; V113-L117 HydrophobicContact CB-CB 4.33Å; V113-L117 CarbonylContact O-C 3.52Å; V113-L117 PolarHBondContact O-N 3.44Å; L117-I124 HydrophobicContact CD1-CD1 4.29Å; L117-L166 HydrophobicContact CB-CD1 3.77Å; L117-L166 HydrophobicContact CD1-CD1 4.3Å; L117-L166 WeakPolarHBondContact O-CD1 3.36Å; L117-V169 HydrophobicContact CD2-CG1 4.39Å; L117-V169 WeakPolarHBondContact O-CB 3.4Å; L117-L170 HydrophobicContact CD1-CD2 4.3Å; L117-L170 HydrophobicContact CD2-CD2 4.4Å |
| 118 | G | 96.8 | Very high | 98 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 167.1 | -144.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V113 Q114 | V113-G118 PolarHBondContact O-N 3.13Å; Q114-G118 WeakPolarHBondContact CA-O 3.34Å |
| 119 | V | 97.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 38% | 0.376 | 27% | 0.27 | S | S | . | . | trans | -116.2 | 152.6 | -174.9 | -67.4 | 0 | 0 | 0 | 0 | 111.7 | V113 N162 V165 | V113-V119 VanDerWaalsContact CG2-O 3.23Å; V113-V119 WeakPolarHBondContact CG2-O 3.27Å; V119-N162 PolarHBondContact O-ND2 3.49Å; V119-V165 HydrophobicContact CG1-CG1 4.25Å; V119-V165 HydrophobicContact CG2-CB 4.11Å; V119-V165 HydrophobicContact CG2-CG1 4.15Å; V119-V165 HydrophobicContact CG2-CG2 4.13Å | ||
| 120 | A | 98.1 | Very high | 97.8 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 60% | 0.595 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 135.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q114 N162 | Q114-A120 HydrophobicContact CB-CB 3.8Å; Q114-A120 HydrophobicContact CG-CB 3.99Å; A120-N162 PolarHBondContact O-ND2 3.16Å |
| 121 | G | 97.8 | Very high | 97.7 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 58% | 0.577 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 128.5 | -2.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | P159 N162 | G121-P159 WeakPolarHBondContact O-CG 3.19Å; G121-N162 WeakPolarHBondContact CA-ND2 3.35Å |
| 122 | L | 98.3 | Very high | 97.6 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | trans | -133.2 | 139.8 | 177.8 | 175.7 | 66.1 | 0 | 0 | 0 | 111.3 | V113 P159 N162 I163 L166 | V113-L122 HydrophobicContact CG1-CB 4.38Å; V113-L122 HydrophobicContact CG1-CD2 4.14Å; V113-L122 HydrophobicContact CG1-CG 4.06Å; V113-L122 HydrophobicContact CG2-CB 3.91Å; V113-L122 HydrophobicContact CG2-CG 4.45Å; V113-L122 WeakPolarHBondContact CG2-O 3.45Å; V113-L122 PolarHBondContact N-O 3.43Å; L122-P159 HydrophobicContact CB-CG 4.2Å; L122-P159 HydrophobicContact CD1-CG 3.87Å; L122-N162 HydrophobicContact CB-CB 3.66Å; L122-N162 HydrophobicContact CD2-CB 4.26Å; L122-I163 HydrophobicContact CD1-CG1 4.18Å; L122-I163 HydrophobicContact CD2-CG1 3.83Å; L122-L166 HydrophobicContact CD2-CB 4.19Å; L122-L166 HydrophobicContact CD2-CD2 3.71Å | ||
| 123 | T | 98.6 | Very high | 97.4 | Very high | 76 Ų | 76 | 51.3 Ų | 51.3 | 47% | 0.466 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.2 | 172.1 | -61.2 | 0 | 0 | 0 | 0 | 108.8 | F110 A111 V125 | F110-T123 HydrophobicContact CB-CG2 4.34Å; A111-T123 CarbonylContact O-C 3.57Å; A111-T123 WeakPolarHBondContact O-CA 3.16Å; T123-V125 HydrophobicContact CG2-CG2 4.19Å |
| 124 | I | 98.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 55.6 Ų | 55.6 | 21% | 0.205 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 133.6 | 169.3 | -60.9 | 169.4 | 0 | 0 | 0 | 107.4 | F96 F110 A111 V113 L117 I126 L166 | F96-I124 HydrophobicContact CD1-CD1 4.41Å; F96-I124 HydrophobicContact CE1-CD1 3.97Å; F110-I124 CarbonylContact C-O 3.4Å; F110-I124 WeakPolarHBondContact CA-O 3.47Å; F110-I124 WeakPolarHBondContact CB-O 3.38Å; A111-I124 PolarHBondContact N-O 3.3Å; A111-I124 PolarHBondContact O-N 2.91Å; V113-I124 HydrophobicContact CG1-CD1 3.91Å; V113-I124 HydrophobicContact CG1-CG1 3.86Å; L117-I124 HydrophobicContact CD1-CD1 4.29Å; I124-I126 HydrophobicContact CG2-CG1 4.23Å; I124-L166 HydrophobicContact CD1-CD1 4.05Å; I124-L166 HydrophobicContact CD1-CD2 3.83Å; I124-L166 HydrophobicContact CG1-CD2 4.08Å |
| 125 | V | 98.6 | Very high | 96.7 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.4 | 170.1 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | L108 M109 F110 T123 V127 Y145 | L108-V125 HydrophobicContact CD1-CG1 4.11Å; L108-V125 HydrophobicContact CD2-CG1 4.33Å; L108-V125 HydrophobicContact CG-CG1 4.12Å; M109-V125 WeakPolarHBondContact O-CA 3.45Å; F110-V125 HydrophobicContact CB-CG2 4.06Å; T123-V125 HydrophobicContact CG2-CG2 4.19Å; V125-V127 HydrophobicContact CG1-CB 4.42Å; V125-Y145 HydrophobicContact CG1-CD1 4.29Å; V125-Y145 HydrophobicContact CG1-CE1 3.91Å; V125-Y145 HydrophobicContact CG2-CE1 4.49Å |
| 126 | I | 98.5 | Very high | 96.4 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 30% | 0.303 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115.8 | 171.1 | -57 | 171.3 | 0 | 0 | 0 | 106 | F96 V103 L108 M109 I124 | F96-I126 HydrophobicContact CE2-CD1 3.96Å; F96-I126 HydrophobicContact CZ-CD1 3.87Å; V103-I126 HydrophobicContact CG1-CG2 3.79Å; L108-I126 CarbonylContact C-O 3.55Å; L108-I126 WeakPolarHBondContact CA-O 3.45Å; M109-I126 HydrophobicContact CB-CB 4.41Å; M109-I126 PolarHBondContact N-O 3.44Å; M109-I126 PolarHBondContact O-N 2.92Å; I124-I126 HydrophobicContact CG2-CG1 4.23Å |
| 127 | V | 98.1 | Very high | 95.9 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.4 | -176 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | L108 V125 L131 L132 | L108-V127 HydrophobicContact CD1-CB 4.26Å; L108-V127 HydrophobicContact CD1-CG2 4.08Å; L108-V127 HydrophobicContact CG-CB 4.45Å; V125-V127 HydrophobicContact CG1-CB 4.42Å; V127-L131 HydrophobicContact CG2-CB 4.23Å; V127-L132 HydrophobicContact CG1-CD2 3.55Å; V127-L132 HydrophobicContact CG2-CD2 4.32Å |
| 128 | R | 97.1 | Very high | 95.7 | Very high | 92 Ų | 92 | 67 Ų | 67 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | trans | -67.9 | 131.9 | 176.5 | -152.5 | 174.7 | 64.9 | -173.7 | 3.1 | 109.4 | G107 D130 L131 | G107-R128 WeakPolarHBondContact O-CB 3.25Å; G107-R128 PolarHBondContact O-N 3.3Å; R128-D130 WeakPolarHBondContact CB-OD1 3.48Å; R128-D130 WeakPolarHBondContact CD-OD1 3.16Å; R128-D130 WeakPolarHBondContact CG-OD1 3.45Å; R128-D130 IonicContact CZ-OD1 2.78Å; R128-D130 IonicContact CZ-OD2 2.78Å; R128-D130 IonicContact NE-OD1 3.89Å; R128-D130 PolarHBondContact NE-OD1 2.81Å; R128-D130 IonicContact NE-OD2 2.98Å; R128-D130 PolarHBondContact NE-OD2 2.84Å; R128-D130 IonicContact NH2-OD1 3.92Å; R128-D130 IonicContact NH2-OD2 2.68Å; R128-D130 PolarHBondContact NH2-OD2 2.95Å; R128-D130 PolarHBondContact O-N 3.25Å; R128-D130 VanDerWaalsContact O-N 3.15Å; R128-L131 HydrophobicContact CB-CD1 4.09Å; R128-L131 HydrophobicContact CB-CG 4.29Å; R128-L131 WeakPolarHBondContact O-CB 3.26Å; R128-L131 PolarHBondContact O-N 3.39Å | ||
| 129 | S | 96.4 | Very high | 95.6 | Very high | 89 Ų | 89 | 67.9 Ų | 67.9 | 62% | 0.622 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -60.4 | -30 | -168.5 | -56.3 | 0 | 0 | 0 | 0 | 114.3 | L131 L132 | S129-L131 PolarHBondContact O-N 3.16Å; S129-L132 WeakPolarHBondContact O-CD1 3.4Å; S129-L132 WeakPolarHBondContact O-CG 3.46Å; S129-L132 PolarHBondContact O-N 3.36Å |
| 130 | D | 96.2 | Very high | 95.6 | Very high | 86 Ų | 86 | 68.5 Ų | 68.5 | 46% | 0.46 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -68.5 | -14 | 176.8 | 65.9 | -50.8 | 0 | 0 | 0 | 113.4 | R128 Y134 | R128-D130 WeakPolarHBondContact CB-OD1 3.48Å; R128-D130 WeakPolarHBondContact CD-OD1 3.16Å; R128-D130 WeakPolarHBondContact CG-OD1 3.45Å; R128-D130 IonicContact CZ-OD1 2.78Å; R128-D130 IonicContact CZ-OD2 2.78Å; R128-D130 IonicContact NE-OD1 3.89Å; R128-D130 PolarHBondContact NE-OD1 2.81Å; R128-D130 IonicContact NE-OD2 2.98Å; R128-D130 PolarHBondContact NE-OD2 2.84Å; R128-D130 IonicContact NH2-OD1 3.92Å; R128-D130 IonicContact NH2-OD2 2.68Å; R128-D130 PolarHBondContact NH2-OD2 2.95Å; R128-D130 PolarHBondContact O-N 3.25Å; R128-D130 VanDerWaalsContact O-N 3.15Å; D130-Y134 WeakPolarHBondContact O-CE2 3.12Å |
| 131 | L | 96.3 | Very high | 95.5 | Very high | 20 Ų | 20 | 68.1 Ų | 68.1 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -94.9 | -7.8 | -178.6 | -57.8 | 179.1 | 0 | 0 | 0 | 113.7 | V87 G107 V127 R128 S129 T133 Y134 | V87-L131 HydrophobicContact CG1-CD1 3.88Å; V87-L131 HydrophobicContact CG2-CD1 4Å; V87-L131 HydrophobicContact CG2-CD2 3.75Å; G107-L131 WeakPolarHBondContact O-CD1 3.3Å; V127-L131 HydrophobicContact CG2-CB 4.23Å; R128-L131 HydrophobicContact CB-CD1 4.09Å; R128-L131 HydrophobicContact CB-CG 4.29Å; R128-L131 WeakPolarHBondContact O-CB 3.26Å; R128-L131 PolarHBondContact O-N 3.39Å; S129-L131 PolarHBondContact O-N 3.16Å; L131-T133 VanDerWaalsContact C-N 3.31Å; L131-T133 PolarHBondContact O-N 2.95Å; L131-Y134 PolarHBondContact O-N 3.36Å |
| 132 | L | 96.4 | Very high | 95.5 | Very high | 20 Ų | 20 | 68.7 Ų | 68.7 | 11% | 0.105 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -33.8 | -169.4 | -69 | 172.8 | 0 | 0 | 0 | 113.9 | V127 S129 Y134 L146 K149 | V127-L132 HydrophobicContact CG1-CD2 3.55Å; V127-L132 HydrophobicContact CG2-CD2 4.32Å; S129-L132 WeakPolarHBondContact O-CD1 3.4Å; S129-L132 WeakPolarHBondContact O-CG 3.46Å; S129-L132 PolarHBondContact O-N 3.36Å; L132-Y134 VanDerWaalsContact C-N 3.3Å; L132-Y134 PolarHBondContact O-N 2.94Å; L132-L146 HydrophobicContact CB-CB 4.27Å; L132-L146 HydrophobicContact CB-CD1 4.2Å; L132-L146 WeakPolarHBondContact O-CB 3.41Å; L132-K149 HydrophobicContact CD1-CB 4.25Å; L132-K149 HydrophobicContact CD1-CG 3.87Å; L132-K149 HydrophobicContact CD2-CB 4.29Å |
| 133 | T | 94.1 | Very high | 95.5 | Very high | 91 Ų | 91 | 72.9 Ų | 72.9 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -2.9 | -172.6 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | L131 S135 L146 | L131-T133 VanDerWaalsContact C-N 3.31Å; L131-T133 PolarHBondContact O-N 2.95Å; T133-S135 PolarHBondContact O-N 3.21Å; T133-L146 HydrophobicContact CG2-CD2 4.27Å |
| 134 | Y | 90.7 | Very high | 95.4 | Very high | 93 Ų | 93 | 70.5 Ų | 70.5 | 37% | 0.365 | 39% | 0.388 | S | S | . | . | trans | -95.8 | 78.4 | -177.1 | -65.5 | -75.7 | 0 | 0 | 0 | 111.8 | L3 D130 L131 L132 | L3-Y134 HydrophobicContact CB-CD1 3.64Å; L3-Y134 HydrophobicContact CB-CG 3.88Å; L3-Y134 VanDerWaalsContact CD1-CB 3.45Å; L3-Y134 HydrophobicContact CD1-CD1 4.01Å; L3-Y134 HydrophobicContact CD1-CD2 3.95Å; L3-Y134 HydrophobicContact CD1-CG 3.55Å; L3-Y134 HydrophobicContact CG-CD1 4.25Å; L3-Y134 HydrophobicContact CG-CG 4.25Å; D130-Y134 WeakPolarHBondContact O-CE2 3.12Å; L131-Y134 PolarHBondContact O-N 3.36Å; L132-Y134 VanDerWaalsContact C-N 3.3Å; L132-Y134 PolarHBondContact O-N 2.94Å | ||
| 135 | S | 91.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 73.4 Ų | 73.4 | 27% | 0.266 | 40% | 0.397 | S | S | . | . | trans | -121.6 | 143.2 | 178.6 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | N4 T133 N144 | N4-S135 PolarHBondContact OD1-O 2.66Å; T133-S135 PolarHBondContact O-N 3.21Å; S135-N144 VanDerWaalsContact CB-ND2 3.34Å; S135-N144 WeakPolarHBondContact CB-ND2 3.48Å; S135-N144 PolarHBondContact OG-ND2 2.89Å | ||
| 136 | H | 89.9 | Confident | 95.4 | Very high | 71 Ų | 71 | 73 Ų | 73 | 33% | 0.329 | 39% | 0.393 | S | S | . | . | trans | -63 | 140 | 172 | -167.6 | -89.3 | 0 | 0 | 0 | 109.9 | F138 C139 | H136-F138 AromaticContact CE1-CD2 3.51Å; H136-F138 AromaticContact ND1-CD2 3.98Å; H136-F138 PolarHBondContact ND1-N 3.49Å; H136-F138 VanDerWaalsContact ND1-N 3.2Å; H136-F138 PolarHBondContact O-N 2.98Å; H136-F138 VanDerWaalsContact O-N 3.09Å; H136-C139 WeakPolarHBondContact O-CB 3.34Å; H136-C139 PolarHBondContact O-N 3.42Å | ||
| 137 | P | 88.7 | Confident | 95.3 | Very high | 115 Ų | 115 | 71.1 Ų | 71.1 | 75% | 0.747 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -28.1 | -178.9 | -28.4 | 35.3 | 0 | 0 | 0 | 115 | ||
| 138 | F | 91.5 | Very high | 95.3 | Very high | 182 Ų | 182 | 71.1 Ų | 71.1 | 80% | 0.798 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 9.9 | 175.3 | -59.1 | -53.6 | 0 | 0 | 0 | 114.4 | H136 P140 | H136-F138 AromaticContact CE1-CD2 3.51Å; H136-F138 AromaticContact ND1-CD2 3.98Å; H136-F138 PolarHBondContact ND1-N 3.49Å; H136-F138 VanDerWaalsContact ND1-N 3.2Å; H136-F138 PolarHBondContact O-N 2.98Å; H136-F138 VanDerWaalsContact O-N 3.09Å; F138-P140 WeakPolarHBondContact O-CD 3.43Å |
| 139 | C | 95.1 | Very high | 95.3 | Very high | 41 Ų | 41 | 72.5 Ų | 72.5 | 28% | 0.277 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -66 | 122.8 | 174.3 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | H136 S141 | H136-C139 WeakPolarHBondContact O-CB 3.34Å; H136-C139 PolarHBondContact O-N 3.42Å; C139-S141 PolarHBondContact O-N 3.4Å |
| 140 | P | 97.4 | Very high | 95.4 | Very high | 74 Ų | 74 | 74.6 Ų | 74.6 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | trans | -56.2 | 135.6 | 175.6 | -24.9 | 34.8 | 0 | 0 | 0 | 110.9 | F138 V142 L143 N144 | F138-P140 WeakPolarHBondContact O-CD 3.43Å; P140-V142 HydrophobicContact CB-CG2 4.1Å; P140-V142 PolarHBondContact O-N 2.77Å; P140-V142 VanDerWaalsContact O-N 3.12Å; P140-L143 HydrophobicContact CG-CD1 4.42Å; P140-L143 CarbonylContact O-C 3.49Å; P140-L143 WeakPolarHBondContact O-CA 3.41Å; P140-L143 PolarHBondContact O-N 3.28Å; P140-N144 PolarHBondContact O-N 3.23Å; P140-N144 VanDerWaalsContact O-N 3.08Å | ||
| 141 | S | 97 | Very high | 95.5 | Very high | 65 Ų | 65 | 73.6 Ų | 73.6 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -56.2 | -34.4 | -177 | -52.8 | 0 | 0 | 0 | 0 | 113 | C139 L143 N144 F155 | C139-S141 PolarHBondContact O-N 3.4Å; S141-L143 PolarHBondContact O-N 3.46Å; S141-N144 WeakPolarHBondContact O-CB 3.35Å; S141-N144 PolarHBondContact O-N 3.31Å; S141-N144 VanDerWaalsContact O-N 3.11Å; S141-F155 VanDerWaalsContact CB-CE1 3.5Å; S141-F155 VanDerWaalsContact CB-CZ 3.4Å |
| 142 | V | 97.7 | Very high | 95.5 | Very high | 67 Ų | 67 | 78.8 Ų | 78.8 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -64.3 | -20 | 175.1 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | P140 Q148 F155 | P140-V142 HydrophobicContact CB-CG2 4.1Å; P140-V142 PolarHBondContact O-N 2.77Å; P140-V142 VanDerWaalsContact O-N 3.12Å; V142-Q148 PolarHBondContact O-NE2 2.78Å; V142-F155 HydrophobicContact CG1-CD1 3.91Å; V142-F155 HydrophobicContact CG1-CE1 3.92Å |
| 143 | L | 97.4 | Very high | 95.6 | Very high | 116 Ų | 116 | 81.5 Ų | 81.5 | 61% | 0.607 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -107.9 | -0.4 | 175.2 | -64.3 | 176.3 | 0 | 0 | 0 | 112.6 | P140 S141 Y145 | P140-L143 HydrophobicContact CG-CD1 4.42Å; P140-L143 CarbonylContact O-C 3.49Å; P140-L143 WeakPolarHBondContact O-CA 3.41Å; P140-L143 PolarHBondContact O-N 3.28Å; S141-L143 PolarHBondContact O-N 3.46Å; L143-Y145 PolarHBondContact O-N 2.8Å |
| 144 | N | 97.7 | Very high | 95.7 | Very high | 25 Ų | 25 | 81.5 Ų | 81.5 | 13% | 0.134 | 43% | 0.433 | C | S | . | . | trans | -79.5 | 118.4 | 178.6 | -176.8 | -58.5 | 0 | 0 | 0 | 109.8 | S135 P140 S141 L146 C147 Q148 | S135-N144 VanDerWaalsContact CB-ND2 3.34Å; S135-N144 WeakPolarHBondContact CB-ND2 3.48Å; S135-N144 PolarHBondContact OG-ND2 2.89Å; P140-N144 PolarHBondContact O-N 3.23Å; P140-N144 VanDerWaalsContact O-N 3.08Å; S141-N144 WeakPolarHBondContact O-CB 3.35Å; S141-N144 PolarHBondContact O-N 3.31Å; S141-N144 VanDerWaalsContact O-N 3.11Å; N144-L146 PolarHBondContact O-N 2.88Å; N144-L146 WeakPolarHBondContact OD1-CB 3.46Å; N144-L146 PolarHBondContact OD1-N 3.48Å; N144-C147 HydrophobicContact CB-CB 3.75Å; N144-C147 WeakPolarHBondContact O-CB 3.12Å; N144-C147 PolarHBondContact O-N 2.92Å; N144-C147 PolarHBondContact OD1-N 3.28Å; N144-Q148 PolarHBondContact O-N 3.44Å | ||
| 145 | Y | 97.9 | Very high | 96 | Very high | 101 Ų | 101 | 80.8 Ų | 80.8 | 40% | 0.396 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | -174.6 | -56.4 | -44.1 | 0 | 0 | 0 | 113.7 | L108 V125 L143 K149 | L108-Y145 HydrophobicContact CD1-CD2 4.18Å; L108-Y145 HydrophobicContact CD1-CE1 4.43Å; L108-Y145 HydrophobicContact CD1-CE2 3.43Å; L108-Y145 VanDerWaalsContact CD1-CE2 3.43Å; V125-Y145 HydrophobicContact CG1-CD1 4.29Å; V125-Y145 HydrophobicContact CG1-CE1 3.91Å; V125-Y145 HydrophobicContact CG2-CE1 4.49Å; L143-Y145 PolarHBondContact O-N 2.8Å; Y145-K149 VanDerWaalsContact O-CB 3.27Å; Y145-K149 WeakPolarHBondContact O-CB 3.24Å; Y145-K149 PolarHBondContact O-N 3.01Å |
| 146 | L | 97.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 82.9 Ų | 82.9 | 27% | 0.272 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 174.4 | 178 | 63.1 | 0 | 0 | 0 | 110.4 | L132 T133 N144 Q148 K149 E150 | L132-L146 HydrophobicContact CB-CB 4.27Å; L132-L146 HydrophobicContact CB-CD1 4.2Å; L132-L146 WeakPolarHBondContact O-CB 3.41Å; T133-L146 HydrophobicContact CG2-CD2 4.27Å; N144-L146 PolarHBondContact O-N 2.88Å; N144-L146 WeakPolarHBondContact OD1-CB 3.46Å; N144-L146 PolarHBondContact OD1-N 3.48Å; L146-Q148 PolarHBondContact O-N 2.81Å; L146-K149 PolarHBondContact O-N 3.07Å; L146-K149 VanDerWaalsContact O-N 3.12Å; L146-E150 HydrophobicContact CD1-CG 3.93Å; L146-E150 HydrophobicContact CG-CG 4.27Å; L146-E150 WeakPolarHBondContact O-CB 3.03Å; L146-E150 WeakPolarHBondContact O-CG 3.42Å; L146-E150 PolarHBondContact O-N 3.27Å |
| 147 | C | 97.2 | Very high | 96.7 | Very high | 19 Ų | 19 | 85.4 Ų | 85.4 | 13% | 0.128 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 180 | -165.2 | 0 | 0 | 0 | 0 | 111.9 | N144 K149 N151 F155 | N144-C147 HydrophobicContact CB-CB 3.75Å; N144-C147 WeakPolarHBondContact O-CB 3.12Å; N144-C147 PolarHBondContact O-N 2.92Å; N144-C147 PolarHBondContact OD1-N 3.28Å; C147-K149 PolarHBondContact O-N 3.25Å; C147-N151 WeakPolarHBondContact O-CB 3.4Å; C147-N151 PolarHBondContact O-N 2.83Å; C147-N151 PolarHBondContact O-ND2 3.15Å; C147-F155 WeakPolarHBondContact SG-CD2 3.41Å; C147-F155 WeakPolarHBondContact SG-CE2 2.98Å |
| 148 | Q | 98.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 81.4 Ų | 81.4 | 17% | 0.168 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 174.6 | -71.5 | -64.2 | -16.9 | 0 | 0 | 111.8 | V142 N144 L146 N151 N152 S153 | V142-Q148 PolarHBondContact O-NE2 2.78Å; N144-Q148 PolarHBondContact O-N 3.44Å; L146-Q148 PolarHBondContact O-N 2.81Å; Q148-N151 CarbonylContact O-C 3.58Å; Q148-N151 PolarHBondContact O-N 2.96Å; Q148-N152 PolarHBondContact O-N 2.75Å; Q148-N152 VanDerWaalsContact O-N 3.1Å; Q148-S153 PolarHBondContact O-N 2.86Å; Q148-S153 VanDerWaalsContact OE1-CA 3.31Å |
| 149 | K | 97.4 | Very high | 97.4 | Very high | 122 Ų | 122 | 75.1 Ų | 75.1 | 53% | 0.53 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 179.4 | 177.1 | 58.9 | 179.5 | 171.9 | 0 | 112.6 | L132 Y145 L146 C147 N151 N152 | L132-K149 HydrophobicContact CD1-CB 4.25Å; L132-K149 HydrophobicContact CD1-CG 3.87Å; L132-K149 HydrophobicContact CD2-CB 4.29Å; Y145-K149 VanDerWaalsContact O-CB 3.27Å; Y145-K149 WeakPolarHBondContact O-CB 3.24Å; Y145-K149 PolarHBondContact O-N 3.01Å; L146-K149 PolarHBondContact O-N 3.07Å; L146-K149 VanDerWaalsContact O-N 3.12Å; C147-K149 PolarHBondContact O-N 3.25Å; K149-N151 PolarHBondContact O-N 3.25Å; K149-N152 PolarHBondContact O-N 3.07Å; K149-N152 VanDerWaalsContact O-N 3.14Å |
| 150 | E | 97.7 | Very high | 97.5 | Very high | 133 Ų | 133 | 77.8 Ų | 77.8 | 62% | 0.621 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.6 | -28.8 | 179.2 | -73.1 | 177.8 | 156.1 | 0 | 0 | 112.2 | L146 | L146-E150 HydrophobicContact CD1-CG 3.93Å; L146-E150 HydrophobicContact CG-CG 4.27Å; L146-E150 WeakPolarHBondContact O-CB 3.03Å; L146-E150 WeakPolarHBondContact O-CG 3.42Å; L146-E150 PolarHBondContact O-N 3.27Å |
| 151 | N | 98 | Very high | 97.6 | Very high | 65 Ų | 65 | 80.8 Ų | 80.8 | 35% | 0.348 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 15.6 | 178.9 | -66 | -86.4 | 0 | 0 | 0 | 113.2 | C147 Q148 K149 S153 V154 F155 | C147-N151 WeakPolarHBondContact O-CB 3.4Å; C147-N151 PolarHBondContact O-N 2.83Å; C147-N151 PolarHBondContact O-ND2 3.15Å; Q148-N151 CarbonylContact O-C 3.58Å; Q148-N151 PolarHBondContact O-N 2.96Å; K149-N151 PolarHBondContact O-N 3.25Å; N151-S153 PolarHBondContact O-N 3.42Å; N151-S153 VanDerWaalsContact O-N 3.13Å; N151-V154 WeakPolarHBondContact O-CG2 3.47Å; N151-V154 PolarHBondContact O-N 3.43Å; N151-F155 HydrophobicContact CB-CB 3.89Å |
| 152 | N | 97.3 | Very high | 97.6 | Very high | 129 Ų | 129 | 78.8 Ų | 78.8 | 69% | 0.69 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 43.8 | -179.4 | -64.3 | -48 | 0 | 0 | 0 | 114 | Q148 K149 V154 | Q148-N152 PolarHBondContact O-N 2.75Å; Q148-N152 VanDerWaalsContact O-N 3.1Å; K149-N152 PolarHBondContact O-N 3.07Å; K149-N152 VanDerWaalsContact O-N 3.14Å; N152-V154 PolarHBondContact O-N 3.21Å |
| 153 | S | 97.8 | Very high | 97.7 | Very high | 76 Ų | 76 | 79.1 Ų | 79.1 | 53% | 0.531 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 17.3 | -177.6 | -53.5 | 0 | 0 | 0 | 0 | 115.6 | Q148 N151 | Q148-S153 PolarHBondContact O-N 2.86Å; Q148-S153 VanDerWaalsContact OE1-CA 3.31Å; N151-S153 PolarHBondContact O-N 3.42Å; N151-S153 VanDerWaalsContact O-N 3.13Å |
| 154 | V | 97.4 | Very high | 97.7 | Very high | 91 Ų | 91 | 80 Ų | 80 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | trans | -118.7 | 32.7 | 174.3 | -61 | 0 | 0 | 0 | 0 | 111.9 | N151 N152 N156 P158 | N151-V154 WeakPolarHBondContact O-CG2 3.47Å; N151-V154 PolarHBondContact O-N 3.43Å; N152-V154 PolarHBondContact O-N 3.21Å; V154-N156 CarbonylContact C-O 3.48Å; V154-N156 PolarHBondContact O-N 2.88Å; V154-P158 HydrophobicContact CG1-CG 4.1Å | ||
| 155 | F | 96.6 | Very high | 97.8 | Very high | 79 Ų | 79 | 80 Ų | 80 | 35% | 0.346 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -54.1 | -38.5 | 172.9 | 171.8 | -104.8 | 0 | 0 | 0 | 111.8 | S141 V142 C147 N151 | S141-F155 VanDerWaalsContact CB-CE1 3.5Å; S141-F155 VanDerWaalsContact CB-CZ 3.4Å; V142-F155 HydrophobicContact CG1-CD1 3.91Å; V142-F155 HydrophobicContact CG1-CE1 3.92Å; C147-F155 WeakPolarHBondContact SG-CD2 3.41Å; C147-F155 WeakPolarHBondContact SG-CE2 2.98Å; N151-F155 HydrophobicContact CB-CB 3.89Å |
| 156 | N | 96.8 | Very high | 97.8 | Very high | 81 Ų | 81 | 76.1 Ų | 76.1 | 43% | 0.433 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -131.2 | -172.9 | 166.3 | 71.3 | -30.9 | 0 | 0 | 0 | 109.3 | V154 P158 | V154-N156 CarbonylContact C-O 3.48Å; V154-N156 PolarHBondContact O-N 2.88Å; N156-P158 WeakPolarHBondContact O-CD 3.47Å; N156-P158 VanDerWaalsContact O-N 3.12Å |
| 157 | T | 98.1 | Very high | 97.9 | Very high | 125 Ų | 125 | 77.2 Ų | 77.2 | 77% | 0.767 | 41% | 0.406 | S | S | * | . | trans | -60.6 | 113.5 | 175.2 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 158 | P | 97.4 | Very high | 97.9 | Very high | 30 Ų | 30 | 79.6 Ų | 79.6 | 20% | 0.195 | 42% | 0.417 | C | S | . | . | trans | -76.4 | 164.6 | 178.9 | 35.5 | -38.8 | 0 | 0 | 0 | 110.6 | V154 N156 T160 I163 | V154-P158 HydrophobicContact CG1-CG 4.1Å; N156-P158 WeakPolarHBondContact O-CD 3.47Å; N156-P158 VanDerWaalsContact O-N 3.12Å; P158-T160 HydrophobicContact CG-CG2 3.98Å; P158-T160 PolarHBondContact O-N 3.07Å; P158-I163 HydrophobicContact CB-CD1 3.78Å; P158-I163 HydrophobicContact CG-CD1 4.29Å | ||
| 159 | P | 97.6 | Very high | 98 | Very high | 50 Ų | 50 | 79.7 Ų | 79.7 | 33% | 0.325 | 42% | 0.42 | S | S | . | . | trans | -72.3 | 75.7 | 172.7 | 32.8 | -37.2 | 0 | 0 | 0 | 110.5 | G121 L122 F161 N162 I163 | G121-P159 WeakPolarHBondContact O-CG 3.19Å; L122-P159 HydrophobicContact CB-CG 4.2Å; L122-P159 HydrophobicContact CD1-CG 3.87Å; P159-F161 VanDerWaalsContact C-N 3.34Å; P159-F161 PolarHBondContact O-N 2.71Å; P159-N162 HydrophobicContact CB-CB 4.06Å; P159-N162 HydrophobicContact CG-CB 4.45Å; P159-N162 WeakPolarHBondContact O-CB 3.43Å; P159-N162 PolarHBondContact O-N 2.83Å; P159-I163 PolarHBondContact O-N 2.93Å | ||
| 160 | T | 98.2 | Very high | 98 | Very high | 97 Ų | 97 | 77.7 Ų | 77.7 | 60% | 0.595 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -56.1 | -42.7 | -169.1 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | P158 I163 Y164 | P158-T160 HydrophobicContact CG-CG2 3.98Å; P158-T160 PolarHBondContact O-N 3.07Å; T160-I163 PolarHBondContact O-N 3.37Å; T160-Y164 PolarHBondContact O-N 2.95Å |
| 161 | F | 98.5 | Very high | 98 | Very high | 137 Ų | 137 | 76.3 Ų | 76.3 | 60% | 0.601 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 178 | -171.5 | -103.2 | 0 | 0 | 0 | 112 | P159 I163 Y164 V165 | P159-F161 VanDerWaalsContact C-N 3.34Å; P159-F161 PolarHBondContact O-N 2.71Å; F161-I163 VanDerWaalsContact C-N 3.35Å; F161-I163 PolarHBondContact O-N 2.78Å; F161-Y164 WeakPolarHBondContact O-CB 3.41Å; F161-Y164 PolarHBondContact O-N 3.25Å; F161-V165 HydrophobicContact CD1-CG2 4.26Å; F161-V165 HydrophobicContact CE1-CG2 3.9Å; F161-V165 HydrophobicContact CZ-CG2 4.15Å; F161-V165 WeakPolarHBondContact O-CG2 3.45Å; F161-V165 PolarHBondContact O-N 3.43Å |
| 162 | N | 98.5 | Very high | 98.1 | Very high | 24 Ų | 24 | 77.7 Ų | 77.7 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176 | -60.2 | 72.5 | 0 | 0 | 0 | 111.8 | V119 A120 G121 L122 P159 Y164 V165 L166 | V119-N162 PolarHBondContact O-ND2 3.49Å; A120-N162 PolarHBondContact O-ND2 3.16Å; G121-N162 WeakPolarHBondContact CA-ND2 3.35Å; L122-N162 HydrophobicContact CB-CB 3.66Å; L122-N162 HydrophobicContact CD2-CB 4.26Å; P159-N162 HydrophobicContact CB-CB 4.06Å; P159-N162 HydrophobicContact CG-CB 4.45Å; P159-N162 WeakPolarHBondContact O-CB 3.43Å; P159-N162 PolarHBondContact O-N 2.83Å; N162-Y164 VanDerWaalsContact C-N 3.34Å; N162-V165 PolarHBondContact O-N 2.89Å; N162-L166 WeakPolarHBondContact O-CB 3.23Å; N162-L166 PolarHBondContact O-N 2.82Å |
| 163 | I | 98.5 | Very high | 98.1 | Very high | 74 Ų | 74 | 72 Ų | 72 | 38% | 0.379 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 175.7 | -67.5 | 169.7 | 0 | 0 | 0 | 110.4 | L122 P158 P159 T160 F161 L166 N167 | L122-I163 HydrophobicContact CD1-CG1 4.18Å; L122-I163 HydrophobicContact CD2-CG1 3.83Å; P158-I163 HydrophobicContact CB-CD1 3.78Å; P158-I163 HydrophobicContact CG-CD1 4.29Å; P159-I163 PolarHBondContact O-N 2.93Å; T160-I163 PolarHBondContact O-N 3.37Å; F161-I163 VanDerWaalsContact C-N 3.35Å; F161-I163 PolarHBondContact O-N 2.78Å; I163-L166 PolarHBondContact O-N 2.83Å; I163-N167 PolarHBondContact O-N 3.32Å |
| 164 | Y | 98.6 | Very high | 98.1 | Very high | 133 Ų | 133 | 78.6 Ų | 78.6 | 52% | 0.522 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -48.7 | 175.7 | 171.2 | -106.7 | 0 | 0 | 0 | 112.1 | T160 F161 N162 L166 N167 L168 | T160-Y164 PolarHBondContact O-N 2.95Å; F161-Y164 WeakPolarHBondContact O-CB 3.41Å; F161-Y164 PolarHBondContact O-N 3.25Å; N162-Y164 VanDerWaalsContact C-N 3.34Å; Y164-L166 PolarHBondContact O-N 3.31Å; Y164-N167 WeakPolarHBondContact O-CB 3.38Å; Y164-N167 PolarHBondContact O-N 2.92Å; Y164-L168 HydrophobicContact CD1-CD1 4.29Å; Y164-L168 HydrophobicContact CE1-CD1 3.6Å; Y164-L168 HydrophobicContact CE1-CG 4.33Å; Y164-L168 HydrophobicContact CE2-CD1 4.3Å; Y164-L168 HydrophobicContact CE2-CD2 4.28Å; Y164-L168 HydrophobicContact CE2-CG 4.26Å; Y164-L168 PolarHBondContact O-N 3.13Å; Y164-L168 VanDerWaalsContact O-N 3.08Å |
| 165 | V | 98.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 78.3 Ų | 78.3 | 16% | 0.158 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.3 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | V119 F161 N162 N167 L168 V169 | V119-V165 HydrophobicContact CG1-CG1 4.25Å; V119-V165 HydrophobicContact CG2-CB 4.11Å; V119-V165 HydrophobicContact CG2-CG1 4.15Å; V119-V165 HydrophobicContact CG2-CG2 4.13Å; F161-V165 HydrophobicContact CD1-CG2 4.26Å; F161-V165 HydrophobicContact CE1-CG2 3.9Å; F161-V165 HydrophobicContact CZ-CG2 4.15Å; F161-V165 WeakPolarHBondContact O-CG2 3.45Å; F161-V165 PolarHBondContact O-N 3.43Å; N162-V165 PolarHBondContact O-N 2.89Å; V165-N167 VanDerWaalsContact C-N 3.28Å; V165-N167 PolarHBondContact O-N 3.4Å; V165-L168 PolarHBondContact O-N 3.44Å; V165-L168 VanDerWaalsContact O-N 3.15Å; V165-V169 HydrophobicContact CG1-CG2 4.29Å; V165-V169 WeakPolarHBondContact O-CG2 3.45Å; V165-V169 PolarHBondContact O-N 3.21Å |
| 166 | L | 98.4 | Very high | 98.2 | Very high | 20 Ų | 20 | 77.7 Ų | 77.7 | 11% | 0.105 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55.3 | -45.8 | 174.3 | 172.1 | 64.3 | 0 | 0 | 0 | 111.1 | V113 L117 L122 I124 N162 I163 Y164 L168 V169 L170 | V113-L166 HydrophobicContact CG1-CD1 4.22Å; V113-L166 HydrophobicContact CG1-CD2 4.34Å; L117-L166 HydrophobicContact CB-CD1 3.77Å; L117-L166 HydrophobicContact CD1-CD1 4.3Å; L117-L166 WeakPolarHBondContact O-CD1 3.36Å; L122-L166 HydrophobicContact CD2-CB 4.19Å; L122-L166 HydrophobicContact CD2-CD2 3.71Å; I124-L166 HydrophobicContact CD1-CD1 4.05Å; I124-L166 HydrophobicContact CD1-CD2 3.83Å; I124-L166 HydrophobicContact CG1-CD2 4.08Å; N162-L166 WeakPolarHBondContact O-CB 3.23Å; N162-L166 PolarHBondContact O-N 2.82Å; I163-L166 PolarHBondContact O-N 2.83Å; Y164-L166 PolarHBondContact O-N 3.31Å; L166-L168 PolarHBondContact O-N 2.88Å; L166-V169 PolarHBondContact O-N 2.89Å; L166-L170 HydrophobicContact CD1-CD1 3.87Å; L166-L170 HydrophobicContact CD1-CD2 4.44Å; L166-L170 HydrophobicContact CD1-CG 3.91Å; L166-L170 HydrophobicContact CG-CD1 3.91Å; L166-L170 HydrophobicContact CG-CG 4.33Å; L166-L170 WeakPolarHBondContact O-CB 3.37Å; L166-L170 VanDerWaalsContact O-CG 3.27Å; L166-L170 WeakPolarHBondContact O-CG 3.33Å; L166-L170 PolarHBondContact O-N 2.97Å |
| 167 | N | 98.5 | Very high | 98.3 | Very high | 74 Ų | 74 | 76.5 Ų | 76.5 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 177.4 | 173.4 | 65.3 | 0 | 0 | 0 | 112 | I163 Y164 V165 L170 Q171 | I163-N167 PolarHBondContact O-N 3.32Å; Y164-N167 WeakPolarHBondContact O-CB 3.38Å; Y164-N167 PolarHBondContact O-N 2.92Å; V165-N167 VanDerWaalsContact C-N 3.28Å; V165-N167 PolarHBondContact O-N 3.4Å; N167-L170 PolarHBondContact O-N 2.84Å; N167-Q171 PolarHBondContact ND2-NE2 2.88Å; N167-Q171 VanDerWaalsContact ND2-NE2 3.11Å; N167-Q171 VanDerWaalsContact O-CG 3.26Å; N167-Q171 WeakPolarHBondContact O-CG 3.34Å; N167-Q171 PolarHBondContact O-N 3.49Å; N167-Q171 PolarHBondContact OD1-NE2 3.36Å |
| 168 | L | 98.7 | Very high | 98.3 | Very high | 70 Ų | 70 | 71.4 Ų | 71.4 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.2 | -65.1 | -179.1 | 0 | 0 | 0 | 112.5 | Y164 V165 L166 L170 Q171 W172 | Y164-L168 HydrophobicContact CD1-CD1 4.29Å; Y164-L168 HydrophobicContact CE1-CD1 3.6Å; Y164-L168 HydrophobicContact CE1-CG 4.33Å; Y164-L168 HydrophobicContact CE2-CD1 4.3Å; Y164-L168 HydrophobicContact CE2-CD2 4.28Å; Y164-L168 HydrophobicContact CE2-CG 4.26Å; Y164-L168 PolarHBondContact O-N 3.13Å; Y164-L168 VanDerWaalsContact O-N 3.08Å; V165-L168 PolarHBondContact O-N 3.44Å; V165-L168 VanDerWaalsContact O-N 3.15Å; L166-L168 PolarHBondContact O-N 2.88Å; L168-L170 PolarHBondContact O-N 3.38Å; L168-Q171 PolarHBondContact O-N 2.91Å; L168-W172 PolarHBondContact O-N 3.35Å |
| 169 | V | 98.4 | Very high | 98.3 | Very high | 37 Ų | 37 | 73.9 Ų | 73.9 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 179 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | L117 V165 L166 W172 V173 | L117-V169 HydrophobicContact CD2-CG1 4.39Å; L117-V169 WeakPolarHBondContact O-CB 3.4Å; V165-V169 HydrophobicContact CG1-CG2 4.29Å; V165-V169 WeakPolarHBondContact O-CG2 3.45Å; V165-V169 PolarHBondContact O-N 3.21Å; L166-V169 PolarHBondContact O-N 2.89Å; V169-W172 WeakPolarHBondContact O-CB 3.37Å; V169-W172 PolarHBondContact O-N 3.4Å; V169-V173 WeakPolarHBondContact O-CG2 3.17Å; V169-V173 PolarHBondContact O-N 3.06Å |
| 170 | L | 98.3 | Very high | 98.3 | Very high | 80 Ų | 80 | 76.9 Ų | 76.9 | 42% | 0.419 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 175.4 | -69.7 | 175.8 | 0 | 0 | 0 | 112.5 | L117 L166 N167 L168 W172 V173 R174 | L117-L170 HydrophobicContact CD1-CD2 4.3Å; L117-L170 HydrophobicContact CD2-CD2 4.4Å; L166-L170 HydrophobicContact CD1-CD1 3.87Å; L166-L170 HydrophobicContact CD1-CD2 4.44Å; L166-L170 HydrophobicContact CD1-CG 3.91Å; L166-L170 HydrophobicContact CG-CD1 3.91Å; L166-L170 HydrophobicContact CG-CG 4.33Å; L166-L170 WeakPolarHBondContact O-CB 3.37Å; L166-L170 VanDerWaalsContact O-CG 3.27Å; L166-L170 WeakPolarHBondContact O-CG 3.33Å; L166-L170 PolarHBondContact O-N 2.97Å; N167-L170 PolarHBondContact O-N 2.84Å; L168-L170 PolarHBondContact O-N 3.38Å; L170-W172 VanDerWaalsContact C-N 3.35Å; L170-V173 PolarHBondContact O-N 3.09Å; L170-R174 WeakPolarHBondContact O-CB 3.39Å; L170-R174 PolarHBondContact O-N 2.96Å |
| 171 | Q | 98.6 | Very high | 98.3 | Very high | 105 Ų | 105 | 75.1 Ų | 75.1 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 172.6 | -73.4 | 176.1 | 8.5 | 0 | 0 | 111.4 | N167 L168 R174 S175 | N167-Q171 PolarHBondContact ND2-NE2 2.88Å; N167-Q171 VanDerWaalsContact ND2-NE2 3.11Å; N167-Q171 VanDerWaalsContact O-CG 3.26Å; N167-Q171 WeakPolarHBondContact O-CG 3.34Å; N167-Q171 PolarHBondContact O-N 3.49Å; N167-Q171 PolarHBondContact OD1-NE2 3.36Å; L168-Q171 PolarHBondContact O-N 2.91Å; Q171-R174 PolarHBondContact O-N 3.29Å; Q171-S175 PolarHBondContact O-N 3.43Å |
| 172 | W | 98.5 | Very high | 98.3 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 36% | 0.356 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 173.8 | 173.2 | 85.8 | 0 | 0 | 0 | 111.3 | L168 V169 L170 R174 S175 Q176 M182 N258 | L168-W172 PolarHBondContact O-N 3.35Å; V169-W172 WeakPolarHBondContact O-CB 3.37Å; V169-W172 PolarHBondContact O-N 3.4Å; L170-W172 VanDerWaalsContact C-N 3.35Å; W172-R174 PolarHBondContact O-N 3.44Å; W172-S175 WeakPolarHBondContact O-CA 3.47Å; W172-S175 WeakPolarHBondContact O-CB 3.25Å; W172-S175 PolarHBondContact O-N 3.21Å; W172-S175 PolarHBondContact O-OG 3.27Å; W172-Q176 HydrophobicContact CD2-CG 3.89Å; W172-Q176 VanDerWaalsContact CE2-CG 3.48Å; W172-Q176 HydrophobicContact CE3-CG 4.42Å; W172-Q176 HydrophobicContact CG-CG 4.35Å; W172-Q176 HydrophobicContact CH2-CG 4.21Å; W172-Q176 HydrophobicContact CZ2-CG 3.68Å; W172-Q176 WeakPolarHBondContact O-CG 3.45Å; W172-Q176 PolarHBondContact O-N 2.81Å; W172-M182 HydrophobicContact CH2-SD 4.12Å; W172-M182 HydrophobicContact CZ3-SD 3.95Å; W172-N258 WeakPolarHBondContact CH2-O 3.47Å; W172-N258 HydrophobicContact CZ3-CB 4.18Å |
| 173 | V | 98.3 | Very high | 98.3 | Very high | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -52.9 | -45.3 | 176.1 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | V169 L170 S175 Q176 G177 G178 M182 | V169-V173 WeakPolarHBondContact O-CG2 3.17Å; V169-V173 PolarHBondContact O-N 3.06Å; L170-V173 PolarHBondContact O-N 3.09Å; V173-S175 PolarHBondContact O-N 3.01Å; V173-Q176 PolarHBondContact O-N 3.2Å; V173-G177 PolarHBondContact O-N 3.03Å; V173-G178 WeakPolarHBondContact O-CA 3.44Å; V173-G178 PolarHBondContact O-N 3.4Å; V173-M182 HydrophobicContact CG1-CG 3.85Å; V173-M182 HydrophobicContact CG2-CG 4.43Å; V173-M182 HydrophobicContact CG2-SD 4.44Å |
| 174 | R | 98.2 | Very high | 98.3 | Very high | 214 Ų | 214 | 70.8 Ų | 70.8 | 81% | 0.808 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.1 | -44.1 | 176.5 | -174.9 | 177.9 | 179 | 174.9 | 0.2 | 112.3 | L170 Q171 W172 Q176 G177 | L170-R174 WeakPolarHBondContact O-CB 3.39Å; L170-R174 PolarHBondContact O-N 2.96Å; Q171-R174 PolarHBondContact O-N 3.29Å; W172-R174 PolarHBondContact O-N 3.44Å; R174-Q176 PolarHBondContact O-N 2.65Å; R174-G177 PolarHBondContact O-N 2.98Å |
| 175 | S | 98.4 | Very high | 98.3 | Very high | 86 Ų | 86 | 67.7 Ų | 67.7 | 60% | 0.601 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.6 | -25.4 | 177.3 | 74.6 | 0 | 0 | 0 | 0 | 113.6 | Q171 W172 V173 G177 | Q171-S175 PolarHBondContact O-N 3.43Å; W172-S175 WeakPolarHBondContact O-CA 3.47Å; W172-S175 WeakPolarHBondContact O-CB 3.25Å; W172-S175 PolarHBondContact O-N 3.21Å; W172-S175 PolarHBondContact O-OG 3.27Å; V173-S175 PolarHBondContact O-N 3.01Å; S175-G177 VanDerWaalsContact C-N 3.31Å |
| 176 | Q | 97.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 66.4 Ų | 66.4 | 31% | 0.308 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -4.2 | 179.1 | -67.7 | -60.9 | -57.6 | 0 | 0 | 113.5 | W172 V173 R174 E181 M182 R185 | W172-Q176 HydrophobicContact CD2-CG 3.89Å; W172-Q176 VanDerWaalsContact CE2-CG 3.48Å; W172-Q176 HydrophobicContact CE3-CG 4.42Å; W172-Q176 HydrophobicContact CG-CG 4.35Å; W172-Q176 HydrophobicContact CH2-CG 4.21Å; W172-Q176 HydrophobicContact CZ2-CG 3.68Å; W172-Q176 WeakPolarHBondContact O-CG 3.45Å; W172-Q176 PolarHBondContact O-N 2.81Å; V173-Q176 PolarHBondContact O-N 3.2Å; R174-Q176 PolarHBondContact O-N 2.65Å; Q176-E181 WeakPolarHBondContact O-CG 3.41Å; Q176-M182 HydrophobicContact CB-CE 3.58Å; Q176-M182 HydrophobicContact CG-CE 4.38Å; Q176-R185 VanDerWaalsContact OE1-NH2 3.17Å |
| 177 | G | 98.1 | Very high | 98.3 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.5 | 1.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V173 R174 S175 | V173-G177 PolarHBondContact O-N 3.03Å; R174-G177 PolarHBondContact O-N 2.98Å; S175-G177 VanDerWaalsContact C-N 3.31Å |
| 178 | G | 98.2 | Very high | 98.3 | Very high | 19 Ų | 19 | 66.7 Ų | 66.7 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | 81.5 | -167.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V173 E180 E181 M182 | V173-G178 WeakPolarHBondContact O-CA 3.44Å; V173-G178 PolarHBondContact O-N 3.4Å; G178-E180 VanDerWaalsContact C-N 3.35Å; G178-E180 PolarHBondContact O-N 2.92Å; G178-E181 PolarHBondContact O-N 2.84Å; G178-M182 WeakPolarHBondContact O-CG 3.36Å; G178-M182 PolarHBondContact O-N 2.96Å; G178-M182 VanDerWaalsContact O-N 3.09Å |
| 179 | I | 97.9 | Very high | 98.4 | Very high | 81 Ų | 81 | 63.5 Ų | 63.5 | 42% | 0.415 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.8 | -37 | -172.7 | -64.8 | 175 | 0 | 0 | 0 | 112.1 | R99 P100 E181 M182 F183 | R99-I179 VanDerWaalsContact C-CG2 3.42Å; R99-I179 WeakPolarHBondContact O-CG2 3.28Å; P100-I179 HydrophobicContact CB-CG2 4.45Å; I179-E181 VanDerWaalsContact C-N 3.32Å; I179-E181 PolarHBondContact O-N 2.99Å; I179-M182 PolarHBondContact O-N 2.79Å; I179-F183 PolarHBondContact O-N 3.09Å |
| 180 | E | 98.1 | Very high | 98.4 | Very high | 114 Ų | 114 | 61.8 Ų | 61.8 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60 | -43 | 176.8 | -65.3 | -58.7 | 153 | 0 | 0 | 111.6 | G178 F183 N184 | G178-E180 VanDerWaalsContact C-N 3.35Å; G178-E180 PolarHBondContact O-N 2.92Å; E180-F183 WeakPolarHBondContact O-CB 3.3Å; E180-F183 PolarHBondContact O-N 3.35Å; E180-N184 PolarHBondContact O-N 2.82Å; E180-N184 PolarHBondContact O-ND2 3.02Å |
| 181 | E | 98.4 | Very high | 98.4 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.6 | -35.4 | 177 | 178.6 | 50.1 | -159.1 | 0 | 0 | 112.1 | Q176 G178 I179 F183 N184 R185 | Q176-E181 WeakPolarHBondContact O-CG 3.41Å; G178-E181 PolarHBondContact O-N 2.84Å; I179-E181 VanDerWaalsContact C-N 3.32Å; I179-E181 PolarHBondContact O-N 2.99Å; E181-F183 VanDerWaalsContact C-N 3.25Å; E181-F183 PolarHBondContact O-N 3.09Å; E181-N184 PolarHBondContact O-N 2.92Å; E181-R185 WeakPolarHBondContact O-CG 3.29Å; E181-R185 PolarHBondContact O-N 2.85Å; E181-R185 WeakPolarHBondContact OE1-CG 3.26Å; E181-R185 IonicContact OE1-CZ 3.86Å; E181-R185 IonicContact OE1-NE 2.75Å; E181-R185 PolarHBondContact OE1-NE 3.4Å; E181-R185 IonicContact OE1-NH2 2.78Å; E181-R185 PolarHBondContact OE1-NH2 2.64Å |
| 182 | M | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 170.8 | -63.8 | -58.7 | 95.6 | 0 | 0 | 111.4 | W172 V173 Q176 G178 I179 R185 S186 N258 | W172-M182 HydrophobicContact CH2-SD 4.12Å; W172-M182 HydrophobicContact CZ3-SD 3.95Å; V173-M182 HydrophobicContact CG1-CG 3.85Å; V173-M182 HydrophobicContact CG2-CG 4.43Å; V173-M182 HydrophobicContact CG2-SD 4.44Å; Q176-M182 HydrophobicContact CB-CE 3.58Å; Q176-M182 HydrophobicContact CG-CE 4.38Å; G178-M182 WeakPolarHBondContact O-CG 3.36Å; G178-M182 PolarHBondContact O-N 2.96Å; G178-M182 VanDerWaalsContact O-N 3.09Å; I179-M182 PolarHBondContact O-N 2.79Å; M182-R185 PolarHBondContact O-N 3.42Å; M182-S186 WeakPolarHBondContact O-CB 3.17Å; M182-S186 PolarHBondContact O-N 2.81Å; M182-S186 PolarHBondContact O-OG 3.01Å; M182-N258 HydrophobicContact SD-CB 3.94Å |
| 183 | F | 98.4 | Very high | 98.4 | Very high | 53 Ų | 53 | 52.5 Ų | 52.5 | 23% | 0.232 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 176.8 | -172.5 | -139.1 | 0 | 0 | 0 | 112.4 | T98 R99 P100 I179 E180 E181 R185 S186 I187 | T98-F183 WeakPolarHBondContact O-CA 3.13Å; T98-F183 PolarHBondContact O-N 2.81Å; R99-F183 HydrophobicContact CB-CD2 3.45Å; R99-F183 VanDerWaalsContact CB-CD2 3.45Å; R99-F183 HydrophobicContact CB-CE2 3.77Å; R99-F183 HydrophobicContact CB-CG 4.06Å; P100-F183 HydrophobicContact CG-CD1 4.29Å; I179-F183 PolarHBondContact O-N 3.09Å; E180-F183 WeakPolarHBondContact O-CB 3.3Å; E180-F183 PolarHBondContact O-N 3.35Å; E181-F183 VanDerWaalsContact C-N 3.25Å; E181-F183 PolarHBondContact O-N 3.09Å; F183-R185 VanDerWaalsContact C-N 3.27Å; F183-R185 PolarHBondContact O-N 2.89Å; F183-S186 PolarHBondContact O-N 3.19Å; F183-S186 VanDerWaalsContact O-N 3.13Å; F183-I187 HydrophobicContact CD1-CD1 4.22Å; F183-I187 HydrophobicContact CD2-CD1 4.19Å; F183-I187 HydrophobicContact CD2-CG1 4.27Å; F183-I187 HydrophobicContact CE1-CD1 3.88Å; F183-I187 HydrophobicContact CE2-CD1 3.85Å; F183-I187 HydrophobicContact CE2-CG1 4Å; F183-I187 HydrophobicContact CG-CD1 4.37Å; F183-I187 HydrophobicContact CZ-CD1 3.69Å; F183-I187 HydrophobicContact CZ-CG1 4.33Å; F183-I187 WeakPolarHBondContact O-CG1 3.33Å; F183-I187 PolarHBondContact O-N 3.13Å |
| 184 | N | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 52.9 Ų | 52.9 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.6 | -43.7 | 174.5 | -68.3 | -26.3 | 0 | 0 | 0 | 111.6 | E180 E181 I187 A188 | E180-N184 PolarHBondContact O-N 2.82Å; E180-N184 PolarHBondContact O-ND2 3.02Å; E181-N184 PolarHBondContact O-N 2.92Å; N184-I187 PolarHBondContact O-N 2.8Å; N184-A188 WeakPolarHBondContact O-CB 3.44Å; N184-A188 PolarHBondContact O-N 2.89Å |
| 185 | R | 98.5 | Very high | 98.4 | Very high | 68 Ų | 68 | 44.8 Ų | 44.8 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 176.9 | -68.9 | 178.1 | -170.4 | -167.6 | 5.7 | 112.5 | Q176 E181 M182 F183 I187 A188 K189 V262 | Q176-R185 VanDerWaalsContact OE1-NH2 3.17Å; E181-R185 WeakPolarHBondContact O-CG 3.29Å; E181-R185 PolarHBondContact O-N 2.85Å; E181-R185 WeakPolarHBondContact OE1-CG 3.26Å; E181-R185 IonicContact OE1-CZ 3.86Å; E181-R185 IonicContact OE1-NE 2.75Å; E181-R185 PolarHBondContact OE1-NE 3.4Å; E181-R185 IonicContact OE1-NH2 2.78Å; E181-R185 PolarHBondContact OE1-NH2 2.64Å; M182-R185 PolarHBondContact O-N 3.42Å; F183-R185 VanDerWaalsContact C-N 3.27Å; F183-R185 PolarHBondContact O-N 2.89Å; R185-I187 VanDerWaalsContact C-N 3.34Å; R185-A188 PolarHBondContact O-N 2.58Å; R185-K189 WeakPolarHBondContact O-CB 3.45Å; R185-K189 WeakPolarHBondContact O-CE 3.31Å; R185-K189 VanDerWaalsContact O-CG 3.28Å; R185-K189 WeakPolarHBondContact O-CG 3.46Å; R185-K189 PolarHBondContact O-N 3.02Å; R185-V262 HydrophobicContact CB-CG2 4.19Å; R185-V262 HydrophobicContact CG-CG2 4.12Å |
| 186 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.1 | -78.2 | 0 | 0 | 0 | 0 | 111.8 | M182 F183 S190 | M182-S186 WeakPolarHBondContact O-CB 3.17Å; M182-S186 PolarHBondContact O-N 2.81Å; M182-S186 PolarHBondContact O-OG 3.01Å; F183-S186 PolarHBondContact O-N 3.19Å; F183-S186 VanDerWaalsContact O-N 3.13Å; S186-S190 WeakPolarHBondContact O-CB 3.45Å; S186-S190 PolarHBondContact O-N 3.06Å; S186-S190 PolarHBondContact O-OG 3Å |
| 187 | I | 98.5 | Very high | 98.5 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 29% | 0.292 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.8 | -50.3 | 173.2 | -66.2 | 169.9 | 0 | 0 | 0 | 110.4 | F183 N184 R185 K189 S190 S191 | F183-I187 HydrophobicContact CD1-CD1 4.22Å; F183-I187 HydrophobicContact CD2-CD1 4.19Å; F183-I187 HydrophobicContact CD2-CG1 4.27Å; F183-I187 HydrophobicContact CE1-CD1 3.88Å; F183-I187 HydrophobicContact CE2-CD1 3.85Å; F183-I187 HydrophobicContact CE2-CG1 4Å; F183-I187 HydrophobicContact CG-CD1 4.37Å; F183-I187 HydrophobicContact CZ-CD1 3.69Å; F183-I187 HydrophobicContact CZ-CG1 4.33Å; F183-I187 WeakPolarHBondContact O-CG1 3.33Å; F183-I187 PolarHBondContact O-N 3.13Å; N184-I187 PolarHBondContact O-N 2.8Å; R185-I187 VanDerWaalsContact C-N 3.34Å; I187-K189 PolarHBondContact O-N 3.34Å; I187-S190 PolarHBondContact O-N 3.44Å; I187-S190 PolarHBondContact O-OG 3.07Å; I187-S191 WeakPolarHBondContact O-CB 3.35Å; I187-S191 PolarHBondContact O-N 3.21Å; I187-S191 PolarHBondContact O-OG 3.03Å |
| 188 | A | 98.7 | Very high | 98.5 | Very high | 43 Ų | 43 | 39.7 Ų | 39.7 | 36% | 0.355 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.5 | -47.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N184 R185 A192 V262 | N184-A188 WeakPolarHBondContact O-CB 3.44Å; N184-A188 PolarHBondContact O-N 2.89Å; R185-A188 PolarHBondContact O-N 2.58Å; A188-A192 WeakPolarHBondContact O-CB 3.49Å; A188-A192 PolarHBondContact O-N 2.97Å; A188-A192 VanDerWaalsContact O-N 3.16Å; A188-V262 HydrophobicContact CB-CG2 4.48Å |
| 189 | K | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -51.6 | 178.1 | -72 | -177.4 | -71.3 | -174.9 | 0 | 112.3 | R185 I187 L193 L256 Y257 L260 V262 A265 | R185-K189 WeakPolarHBondContact O-CB 3.45Å; R185-K189 WeakPolarHBondContact O-CE 3.31Å; R185-K189 VanDerWaalsContact O-CG 3.28Å; R185-K189 WeakPolarHBondContact O-CG 3.46Å; R185-K189 PolarHBondContact O-N 3.02Å; I187-K189 PolarHBondContact O-N 3.34Å; K189-L193 PolarHBondContact O-N 2.91Å; K189-L256 HydrophobicContact CB-CB 4.42Å; K189-L256 HydrophobicContact CB-CD1 4.13Å; K189-L256 HydrophobicContact CD-CB 4.47Å; K189-L256 WeakPolarHBondContact CE-O 3.42Å; K189-L256 PolarHBondContact NZ-O 2.87Å; K189-Y257 PolarHBondContact NZ-O 3.4Å; K189-L260 HydrophobicContact CD-CD2 3.99Å; K189-L260 WeakPolarHBondContact CD-O 3.3Å; K189-L260 PolarHBondContact NZ-O 2.8Å; K189-V262 HydrophobicContact CG-CB 4.48Å; K189-V262 HydrophobicContact CG-CG2 4.08Å; K189-A265 HydrophobicContact CB-CB 3.89Å; K189-A265 HydrophobicContact CD-CB 4.13Å; K189-A265 HydrophobicContact CG-CB 3.64Å |
| 190 | S | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.5 | -41.7 | -175.9 | 56 | 0 | 0 | 0 | 0 | 112 | S186 I187 A192 L193 Y194 H215 | S186-S190 WeakPolarHBondContact O-CB 3.45Å; S186-S190 PolarHBondContact O-N 3.06Å; S186-S190 PolarHBondContact O-OG 3Å; I187-S190 PolarHBondContact O-N 3.44Å; I187-S190 PolarHBondContact O-OG 3.07Å; S190-A192 PolarHBondContact O-N 3.15Å; S190-L193 PolarHBondContact O-N 2.84Å; S190-Y194 WeakPolarHBondContact O-CB 3.22Å; S190-Y194 WeakPolarHBondContact O-CD2 3.42Å; S190-Y194 PolarHBondContact O-N 2.73Å; S190-H215 PolarHBondContact OG-ND1 3.47Å |
| 191 | S | 98.5 | Very high | 98.4 | Very high | 62 Ų | 62 | 43.4 Ų | 43.4 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -42.3 | 176.7 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | I187 L193 Y194 A195 | I187-S191 WeakPolarHBondContact O-CB 3.35Å; I187-S191 PolarHBondContact O-N 3.21Å; I187-S191 PolarHBondContact O-OG 3.03Å; S191-L193 VanDerWaalsContact C-N 3.32Å; S191-L193 PolarHBondContact O-N 3.48Å; S191-Y194 PolarHBondContact O-N 2.78Å; S191-A195 VanDerWaalsContact O-CB 3.26Å; S191-A195 WeakPolarHBondContact O-CB 3.34Å; S191-A195 PolarHBondContact O-N 3.45Å |
| 192 | A | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A188 S190 V196 V269 | A188-A192 WeakPolarHBondContact O-CB 3.49Å; A188-A192 PolarHBondContact O-N 2.97Å; A188-A192 VanDerWaalsContact O-N 3.16Å; S190-A192 PolarHBondContact O-N 3.15Å; A192-V196 PolarHBondContact O-N 3.28Å; A192-V269 HydrophobicContact CB-CG2 4.06Å |
| 193 | L | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.1 | -46 | 178.5 | -165.4 | 69.3 | 0 | 0 | 0 | 112.2 | K189 S190 S191 A195 V196 I197 V218 A254 L256 L268 V269 M272 | K189-L193 PolarHBondContact O-N 2.91Å; S190-L193 PolarHBondContact O-N 2.84Å; S191-L193 VanDerWaalsContact C-N 3.32Å; S191-L193 PolarHBondContact O-N 3.48Å; L193-A195 VanDerWaalsContact C-N 3.3Å; L193-A195 PolarHBondContact O-N 3.48Å; L193-V196 PolarHBondContact O-N 3.49Å; L193-I197 HydrophobicContact CG-CD1 4.49Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 3.21Å; L193-I197 VanDerWaalsContact O-N 3.13Å; L193-V218 HydrophobicContact CD2-CB 3.63Å; L193-V218 HydrophobicContact CD2-CG1 3.66Å; L193-V218 HydrophobicContact CD2-CG2 3.92Å; L193-V218 HydrophobicContact CG-CG1 4.31Å; L193-A254 HydrophobicContact CD2-CB 3.47Å; L193-A254 VanDerWaalsContact CD2-CB 3.47Å; L193-L256 HydrophobicContact CD2-CD1 4.28Å; L193-L268 HydrophobicContact CD1-CD2 3.79Å; L193-L268 HydrophobicContact CD1-CG 3.97Å; L193-L268 HydrophobicContact CD2-CD2 4.39Å; L193-V269 HydrophobicContact CD1-CG2 4.15Å; L193-M272 HydrophobicContact CD1-CE 4.2Å; L193-M272 HydrophobicContact CD1-SD 3.27Å; L193-M272 WeakPolarHBondContact CD1-SD 3.38Å; L193-M272 HydrophobicContact CG-SD 4.38Å |
| 194 | Y | 98.8 | Very high | 98.3 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -37.1 | 176.3 | -77.2 | -56.1 | 0 | 0 | 0 | 112 | S190 S191 V196 I197 D198 N206 R213 S214 V218 | S190-Y194 WeakPolarHBondContact O-CB 3.22Å; S190-Y194 WeakPolarHBondContact O-CD2 3.42Å; S190-Y194 PolarHBondContact O-N 2.73Å; S191-Y194 PolarHBondContact O-N 2.78Å; Y194-V196 VanDerWaalsContact C-N 3.3Å; Y194-V196 PolarHBondContact O-N 2.93Å; Y194-I197 HydrophobicContact CD1-CD1 4.15Å; Y194-I197 PolarHBondContact O-N 2.96Å; Y194-I197 VanDerWaalsContact O-N 3.08Å; Y194-D198 WeakPolarHBondContact O-CB 3.45Å; Y194-D198 VanDerWaalsContact O-CG 3.26Å; Y194-D198 PolarHBondContact O-N 2.8Å; Y194-N206 HydrophobicContact CE1-CB 4.46Å; Y194-R213 HydrophobicContact CD1-CG 4.4Å; Y194-R213 HydrophobicContact CE1-CB 4.09Å; Y194-R213 VanDerWaalsContact CE1-CD 3.41Å; Y194-R213 HydrophobicContact CE1-CG 3.7Å; Y194-R213 HydrophobicContact CE2-CB 3.75Å; Y194-R213 HydrophobicContact CE2-CG 4.29Å; Y194-R213 VanDerWaalsContact CZ-CB 3.49Å; Y194-R213 WeakPolarHBondContact OH-CB 3.15Å; Y194-S214 WeakPolarHBondContact CE2-O 3.41Å; Y194-S214 PolarHBondContact OH-N 3.11Å; Y194-S214 PolarHBondContact OH-O 2.74Å; Y194-V218 HydrophobicContact CD1-CG1 4.08Å; Y194-V218 HydrophobicContact CE1-CB 4.45Å; Y194-V218 HydrophobicContact CE1-CG1 3.48Å; Y194-V218 VanDerWaalsContact CE1-CG1 3.48Å; Y194-V218 HydrophobicContact CE1-CG2 4.36Å; Y194-V218 HydrophobicContact CE2-CG1 4.42Å; Y194-V218 HydrophobicContact CE2-CG2 3.82Å |
| 195 | A | 98.7 | Very high | 98.2 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 37% | 0.372 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S191 L193 N199 | S191-A195 VanDerWaalsContact O-CB 3.26Å; S191-A195 WeakPolarHBondContact O-CB 3.34Å; S191-A195 PolarHBondContact O-N 3.45Å; L193-A195 VanDerWaalsContact C-N 3.3Å; L193-A195 PolarHBondContact O-N 3.48Å; A195-N199 WeakPolarHBondContact O-CB 3.41Å; A195-N199 PolarHBondContact O-N 3.23Å; A195-N199 VanDerWaalsContact O-N 3.16Å; A195-N199 PolarHBondContact O-ND2 3.21Å |
| 196 | V | 98.5 | Very high | 98.2 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 9% | 0.085 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 172.9 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | A192 L193 Y194 S200 Y204 V269 M272 K273 | A192-V196 PolarHBondContact O-N 3.28Å; L193-V196 PolarHBondContact O-N 3.49Å; Y194-V196 VanDerWaalsContact C-N 3.3Å; Y194-V196 PolarHBondContact O-N 2.93Å; V196-S200 VanDerWaalsContact O-CB 3.31Å; V196-S200 WeakPolarHBondContact O-CB 3.32Å; V196-S200 PolarHBondContact O-N 3.12Å; V196-S200 VanDerWaalsContact O-N 3.13Å; V196-Y204 HydrophobicContact CG1-CD2 4.11Å; V196-Y204 HydrophobicContact CG1-CE2 4.1Å; V196-V269 HydrophobicContact CG2-CB 4.28Å; V196-V269 HydrophobicContact CG2-CG1 3.67Å; V196-V269 HydrophobicContact CG2-CG2 4.23Å; V196-M272 HydrophobicContact CB-CE 4.46Å; V196-M272 HydrophobicContact CG1-CB 3.9Å; V196-M272 HydrophobicContact CG1-CE 3.99Å; V196-K273 HydrophobicContact CG1-CG 4.45Å; V196-K273 HydrophobicContact CG2-CG 4.3Å |
| 197 | I | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | -179 | -65.7 | 167.4 | 0 | 0 | 0 | 110.8 | L193 Y194 N199 S200 N206 V218 F220 M272 | L193-I197 HydrophobicContact CG-CD1 4.49Å; L193-I197 WeakPolarHBondContact O-CG1 3.43Å; L193-I197 PolarHBondContact O-N 3.21Å; L193-I197 VanDerWaalsContact O-N 3.13Å; Y194-I197 HydrophobicContact CD1-CD1 4.15Å; Y194-I197 PolarHBondContact O-N 2.96Å; Y194-I197 VanDerWaalsContact O-N 3.08Å; I197-N199 VanDerWaalsContact C-N 3.34Å; I197-N199 PolarHBondContact O-N 3.04Å; I197-S200 VanDerWaalsContact O-CB 3.29Å; I197-S200 WeakPolarHBondContact O-CB 3.42Å; I197-S200 PolarHBondContact O-N 3.48Å; I197-S200 PolarHBondContact O-OG 3.08Å; I197-N206 HydrophobicContact CD1-CB 4.47Å; I197-N206 HydrophobicContact CG2-CB 3.81Å; I197-V218 HydrophobicContact CD1-CG1 3.73Å; I197-F220 HydrophobicContact CD1-CB 4.05Å; I197-F220 HydrophobicContact CD1-CD1 4.41Å; I197-F220 HydrophobicContact CD1-CG 4.3Å; I197-M272 HydrophobicContact CG1-CE 3.93Å |
| 198 | D | 98.3 | Very high | 98 | Very high | 81 Ų | 81 | 37.9 Ų | 37.9 | 43% | 0.433 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.4 | -32.2 | -174.3 | -64.7 | -26.6 | 0 | 0 | 0 | 112.4 | Y194 S200 R213 | Y194-D198 WeakPolarHBondContact O-CB 3.45Å; Y194-D198 VanDerWaalsContact O-CG 3.26Å; Y194-D198 PolarHBondContact O-N 2.8Å; D198-S200 VanDerWaalsContact C-N 3.34Å; D198-R213 IonicContact OD1-CZ 3.4Å; D198-R213 VanDerWaalsContact OD1-CZ 3.27Å; D198-R213 IonicContact OD1-NH1 3.66Å; D198-R213 PolarHBondContact OD1-NH1 2.82Å; D198-R213 IonicContact OD1-NH2 3.48Å; D198-R213 PolarHBondContact OD1-NH2 3.21Å; D198-R213 IonicContact OD2-CZ 3.53Å; D198-R213 IonicContact OD2-NH1 3.81Å; D198-R213 PolarHBondContact OD2-NH1 3.42Å; D198-R213 IonicContact OD2-NH2 2.77Å |
| 199 | N | 97.9 | Very high | 98 | Very high | 136 Ų | 136 | 37.3 Ų | 37.3 | 73% | 0.727 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.2 | 177 | -64.8 | -63.8 | 0 | 0 | 0 | 113.6 | A195 I197 N201 | A195-N199 WeakPolarHBondContact O-CB 3.41Å; A195-N199 PolarHBondContact O-N 3.23Å; A195-N199 VanDerWaalsContact O-N 3.16Å; A195-N199 PolarHBondContact O-ND2 3.21Å; I197-N199 VanDerWaalsContact C-N 3.34Å; I197-N199 PolarHBondContact O-N 3.04Å; N199-N201 PolarHBondContact O-N 3.33Å |
| 200 | S | 97.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -79.1 | 4.2 | -176.7 | 73.7 | 0 | 0 | 0 | 0 | 114.5 | V196 I197 D198 G202 F203 Y204 Q276 | V196-S200 VanDerWaalsContact O-CB 3.31Å; V196-S200 WeakPolarHBondContact O-CB 3.32Å; V196-S200 PolarHBondContact O-N 3.12Å; V196-S200 VanDerWaalsContact O-N 3.13Å; I197-S200 VanDerWaalsContact O-CB 3.29Å; I197-S200 WeakPolarHBondContact O-CB 3.42Å; I197-S200 PolarHBondContact O-N 3.48Å; I197-S200 PolarHBondContact O-OG 3.08Å; D198-S200 VanDerWaalsContact C-N 3.34Å; S200-G202 PolarHBondContact O-N 3.39Å; S200-G202 VanDerWaalsContact O-N 3.15Å; S200-F203 VanDerWaalsContact O-CB 3.26Å; S200-F203 WeakPolarHBondContact O-CB 3.44Å; S200-F203 PolarHBondContact O-N 3.42Å; S200-F203 PolarHBondContact OG-N 3.5Å; S200-Y204 PolarHBondContact OG-N 3.19Å; S200-Y204 PolarHBondContact OG-O 2.85Å; S200-Y204 VanDerWaalsContact OG-O 3.08Å; S200-Q276 PolarHBondContact O-NE2 3.2Å |
| 201 | N | 96.5 | Very high | 97.8 | Very high | 154 Ų | 154 | 49 Ų | 49 | 82% | 0.824 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.7 | -174.4 | -164.8 | 37.2 | 0 | 0 | 0 | 113.1 | N199 F203 | N199-N201 PolarHBondContact O-N 3.33Å; N201-F203 VanDerWaalsContact C-N 3.35Å; N201-F203 PolarHBondContact O-N 3.12Å |
| 202 | G | 96.2 | Very high | 97.8 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 42% | 0.423 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 6.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S200 I205 | S200-G202 PolarHBondContact O-N 3.39Å; S200-G202 VanDerWaalsContact O-N 3.15Å; G202-I205 WeakPolarHBondContact O-CG1 3.35Å |
| 203 | F | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -66.4 | -43.4 | 172.4 | -176.3 | -90.7 | 0 | 0 | 0 | 111.8 | S200 N201 L222 L227 F275 Q276 H279 D280 | S200-F203 VanDerWaalsContact O-CB 3.26Å; S200-F203 WeakPolarHBondContact O-CB 3.44Å; S200-F203 PolarHBondContact O-N 3.42Å; S200-F203 PolarHBondContact OG-N 3.5Å; N201-F203 VanDerWaalsContact C-N 3.35Å; N201-F203 PolarHBondContact O-N 3.12Å; F203-L222 HydrophobicContact CE1-CD2 3.8Å; F203-L222 HydrophobicContact CE1-CG 4.44Å; F203-L222 HydrophobicContact CZ-CD2 3.99Å; F203-L227 HydrophobicContact CE2-CD2 3.96Å; F203-L227 HydrophobicContact CZ-CD2 4.02Å; F203-F275 AromaticContact CE1-CD1 3.83Å; F203-F275 HydrophobicContact CE1-CD1 3.83Å; F203-F275 HydrophobicContact CE1-CE1 4.14Å; F203-F275 AromaticContact CZ-CD1 3.8Å; F203-F275 HydrophobicContact CZ-CD1 3.8Å; F203-F275 AromaticContact CZ-CE1 3.83Å; F203-F275 HydrophobicContact CZ-CE1 3.83Å; F203-Q276 HydrophobicContact CB-CG 4.07Å; F203-Q276 HydrophobicContact CD1-CB 3.85Å; F203-Q276 HydrophobicContact CD1-CG 3.77Å; F203-Q276 HydrophobicContact CD2-CG 4.1Å; F203-Q276 HydrophobicContact CE1-CB 3.93Å; F203-Q276 HydrophobicContact CE1-CG 4.22Å; F203-Q276 HydrophobicContact CG-CB 4.31Å; F203-Q276 HydrophobicContact CG-CG 3.71Å; F203-Q276 HydrophobicContact CZ-CB 4.41Å; F203-H279 HydrophobicContact CE2-CB 4.04Å; F203-H279 HydrophobicContact CZ-CB 3.89Å; F203-D280 HydrophobicContact CD2-CB 3.63Å; F203-D280 HydrophobicContact CE2-CB 3.91Å; F203-D280 HydrophobicContact CG-CB 4.44Å |
| 204 | Y | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -105.3 | 130.9 | 168.4 | -60.5 | -64.6 | 0 | 0 | 0 | 109.6 | V196 S200 F220 R221 L222 F231 M272 Q276 | V196-Y204 HydrophobicContact CG1-CD2 4.11Å; V196-Y204 HydrophobicContact CG1-CE2 4.1Å; S200-Y204 PolarHBondContact OG-N 3.19Å; S200-Y204 PolarHBondContact OG-O 2.85Å; S200-Y204 VanDerWaalsContact OG-O 3.08Å; Y204-F220 AromaticContact CD1-CD2 3.85Å; Y204-F220 HydrophobicContact CD1-CD2 3.85Å; Y204-F220 HydrophobicContact CD1-CE2 4.01Å; Y204-F220 HydrophobicContact CE1-CE2 4.25Å; Y204-R221 WeakPolarHBondContact CA-O 3.49Å; Y204-L222 HydrophobicContact CD1-CD1 4.03Å; Y204-L222 HydrophobicContact CD1-CG 4.07Å; Y204-L222 HydrophobicContact CE1-CD1 4.09Å; Y204-L222 HydrophobicContact CE1-CD2 4.16Å; Y204-L222 HydrophobicContact CE1-CG 4.12Å; Y204-F231 HydrophobicContact CE1-CD2 4.17Å; Y204-F231 AromaticContact CE1-CE2 3.79Å; Y204-F231 HydrophobicContact CE1-CE2 3.79Å; Y204-M272 HydrophobicContact CD1-CE 3.98Å; Y204-M272 HydrophobicContact CD2-CE 3.82Å; Y204-M272 HydrophobicContact CE1-CE 4.08Å; Y204-M272 HydrophobicContact CE2-CB 3.93Å; Y204-M272 HydrophobicContact CE2-CE 3.96Å; Y204-M272 WeakPolarHBondContact CE2-O 3.1Å; Y204-M272 HydrophobicContact CG-CE 3.85Å; Y204-M272 WeakPolarHBondContact OH-CA 2.77Å; Y204-M272 PolarHBondContact OH-O 2.88Å; Y204-Q276 HydrophobicContact CE2-CB 4.15Å |
| 205 | I | 98.1 | Very high | 97.8 | Very high | 81 Ų | 81 | 47.2 Ų | 47.2 | 42% | 0.415 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -123.3 | 111.3 | -176.1 | -56.9 | 164.2 | 0 | 0 | 0 | 109 | G202 F220 R221 | G202-I205 WeakPolarHBondContact O-CG1 3.35Å; I205-F220 CarbonylContact O-C 3.57Å; I205-F220 VanDerWaalsContact O-CA 3.26Å; I205-F220 WeakPolarHBondContact O-CA 3.48Å; I205-R221 HydrophobicContact CB-CB 4.33Å; I205-R221 PolarHBondContact N-O 3.1Å; I205-R221 PolarHBondContact O-N 2.9Å |
| 206 | N | 97.8 | Very high | 97.8 | Very high | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | trans | -89.7 | 122.2 | 166.5 | 172 | -94.1 | 0 | 0 | 0 | 109.1 | Y194 I197 I208 R213 P219 | Y194-N206 HydrophobicContact CE1-CB 4.46Å; I197-N206 HydrophobicContact CD1-CB 4.47Å; I197-N206 HydrophobicContact CG2-CB 3.81Å; N206-I208 PolarHBondContact O-N 2.53Å; N206-I208 WeakPolarHBondContact OD1-CB 3.47Å; N206-I208 PolarHBondContact OD1-N 2.93Å; N206-I208 VanDerWaalsContact OD1-N 3.09Å; N206-I208 PolarHBondContact OD1-O 3.17Å; N206-I208 VanDerWaalsContact OD1-O 3.07Å; N206-R213 PolarHBondContact OD1-NE 2.91Å; N206-P219 PolarHBondContact ND2-O 3.12Å | ||
| 207 | P | 95.5 | Very high | 97.8 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | trans | -82.1 | 1.5 | -175.7 | 34 | -36.6 | 0 | 0 | 0 | 113.9 | I46 | I46-P207 WeakPolarHBondContact CB-O 3.13Å; I46-P207 VanDerWaalsContact CG2-O 3.29Å; I46-P207 WeakPolarHBondContact CG2-O 3.45Å | ||
| 208 | I | 97.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -96.6 | 136.4 | -170.2 | -51.4 | -53.3 | 0 | 0 | 0 | 109.6 | I46 N72 V74 N206 M210 R213 P219 | I46-I208 HydrophobicContact CB-CD1 4.42Å; I46-I208 HydrophobicContact CG2-CD1 4.46Å; I46-I208 WeakPolarHBondContact O-CA 3.39Å; I46-I208 WeakPolarHBondContact O-CG2 3.49Å; N72-I208 WeakPolarHBondContact O-CD1 3.36Å; N72-I208 WeakPolarHBondContact O-CG1 3.23Å; V74-I208 HydrophobicContact CG2-CD1 4.09Å; V74-I208 HydrophobicContact CG2-CG2 4.13Å; N206-I208 PolarHBondContact O-N 2.53Å; N206-I208 WeakPolarHBondContact OD1-CB 3.47Å; N206-I208 PolarHBondContact OD1-N 2.93Å; N206-I208 VanDerWaalsContact OD1-N 3.09Å; N206-I208 PolarHBondContact OD1-O 3.17Å; N206-I208 VanDerWaalsContact OD1-O 3.07Å; I208-M210 PolarHBondContact O-N 2.8Å; I208-R213 HydrophobicContact CB-CG 4.22Å; I208-R213 HydrophobicContact CG2-CG 4.2Å; I208-P219 HydrophobicContact CG1-CG 4Å |
| 209 | S | 97.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 22% | 0.217 | 22% | 0.224 | C | C | . | . | trans | -55.4 | 137.1 | 172.8 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | I46 E211 S212 R213 | I46-S209 PolarHBondContact O-N 3.29Å; S209-E211 WeakPolarHBondContact CB-OE1 3.47Å; S209-E211 WeakPolarHBondContact CB-OE2 3.34Å; S209-E211 PolarHBondContact O-N 3.48Å; S209-S212 PolarHBondContact O-N 3.48Å; S209-R213 PolarHBondContact O-N 3.22Å | ||
| 210 | M | 97.3 | Very high | 97.8 | Very high | 139 Ų | 139 | 34.3 Ų | 34.3 | 69% | 0.685 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -55.9 | -39.8 | -170.7 | -73.2 | -176.1 | -76.7 | 0 | 0 | 112.7 | I208 S212 R213 | I208-M210 PolarHBondContact O-N 2.8Å; M210-S212 PolarHBondContact O-N 2.89Å; M210-R213 PolarHBondContact O-N 2.87Å |
| 211 | E | 96.6 | Very high | 97.8 | Very high | 108 Ų | 108 | 38.6 Ų | 38.6 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -70.9 | -3.6 | 179 | 71 | -82.5 | -167.8 | 0 | 0 | 114.8 | S209 | S209-E211 WeakPolarHBondContact CB-OE1 3.47Å; S209-E211 WeakPolarHBondContact CB-OE2 3.34Å; S209-E211 PolarHBondContact O-N 3.48Å |
| 212 | S | 98.1 | Very high | 97.8 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -129.9 | 9.7 | -179.9 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | F48 V74 E75 S209 M210 S214 | F48-S212 PolarHBondContact N-OG 3.22Å; V74-S212 CarbonylContact C-O 3.11Å; V74-S212 VanDerWaalsContact CA-O 3.32Å; V74-S212 WeakPolarHBondContact CA-O 3.34Å; E75-S212 PolarHBondContact N-O 2.76Å; S209-S212 PolarHBondContact O-N 3.48Å; M210-S212 PolarHBondContact O-N 2.89Å; S212-S214 PolarHBondContact O-N 3.46Å |
| 213 | R | 98.6 | Very high | 97.7 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 10% | 0.102 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -63.6 | 124.8 | 178 | -85.3 | 175.4 | 176.5 | -174.4 | -1.1 | 110.6 | H77 Y194 D198 N206 I208 S209 M210 | H77-R213 PolarHBondContact NE2-O 3.49Å; Y194-R213 HydrophobicContact CD1-CG 4.4Å; Y194-R213 HydrophobicContact CE1-CB 4.09Å; Y194-R213 VanDerWaalsContact CE1-CD 3.41Å; Y194-R213 HydrophobicContact CE1-CG 3.7Å; Y194-R213 HydrophobicContact CE2-CB 3.75Å; Y194-R213 HydrophobicContact CE2-CG 4.29Å; Y194-R213 VanDerWaalsContact CZ-CB 3.49Å; Y194-R213 WeakPolarHBondContact OH-CB 3.15Å; D198-R213 IonicContact OD1-CZ 3.4Å; D198-R213 VanDerWaalsContact OD1-CZ 3.27Å; D198-R213 IonicContact OD1-NH1 3.66Å; D198-R213 PolarHBondContact OD1-NH1 2.82Å; D198-R213 IonicContact OD1-NH2 3.48Å; D198-R213 PolarHBondContact OD1-NH2 3.21Å; D198-R213 IonicContact OD2-CZ 3.53Å; D198-R213 IonicContact OD2-NH1 3.81Å; D198-R213 PolarHBondContact OD2-NH1 3.42Å; D198-R213 IonicContact OD2-NH2 2.77Å; N206-R213 PolarHBondContact OD1-NE 2.91Å; I208-R213 HydrophobicContact CB-CG 4.22Å; I208-R213 HydrophobicContact CG2-CG 4.2Å; S209-R213 PolarHBondContact O-N 3.22Å; M210-R213 PolarHBondContact O-N 2.87Å |
| 214 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -66.9 | 134.1 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 112.8 | N68 G73 E75 Y194 S212 V216 N217 | N68-S214 WeakPolarHBondContact OD1-CB 3.45Å; N68-S214 PolarHBondContact OD1-OG 3.41Å; G73-S214 WeakPolarHBondContact O-CB 3.38Å; G73-S214 PolarHBondContact O-N 3.43Å; E75-S214 WeakPolarHBondContact OE2-CA 3.45Å; Y194-S214 WeakPolarHBondContact CE2-O 3.41Å; Y194-S214 PolarHBondContact OH-N 3.11Å; Y194-S214 PolarHBondContact OH-O 2.74Å; S212-S214 PolarHBondContact O-N 3.46Å; S214-V216 PolarHBondContact O-N 3.27Å; S214-V216 PolarHBondContact OG-N 2.86Å; S214-N217 WeakPolarHBondContact CB-O 3.33Å; S214-N217 PolarHBondContact OG-N 3.39Å | ||
| 215 | H | 98.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 42.3 Ų | 42.3 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -74.2 | -8.6 | 168.6 | -64.9 | -59 | 0 | 0 | 0 | 113.1 | E75 H77 S190 | E75-H215 IonicContact OE2-CD2 3.28Å; E75-H215 PolarHBondContact OE2-CD2 3.22Å; E75-H215 IonicContact OE2-CG 2.93Å; E75-H215 PolarHBondContact OE2-N 2.81Å; H77-H215 AromaticContact NE2-NE2 3.83Å; S190-H215 PolarHBondContact OG-ND1 3.47Å |
| 216 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -114.7 | -39.7 | -173 | -169.7 | 0 | 0 | 0 | 0 | 112.7 | S94 N95 T98 S214 S255 L256 Y257 | S94-V216 WeakPolarHBondContact O-CG1 3.44Å; N95-V216 HydrophobicContact CB-CG2 4Å; T98-V216 HydrophobicContact CG2-CG2 4.02Å; S214-V216 PolarHBondContact O-N 3.27Å; S214-V216 PolarHBondContact OG-N 2.86Å; V216-S255 CarbonylContact O-C 3.54Å; V216-S255 WeakPolarHBondContact O-CA 3.37Å; V216-L256 PolarHBondContact O-N 3.2Å; V216-Y257 HydrophobicContact CG1-CD1 3.27Å; V216-Y257 HydrophobicContact CG1-CE1 3.24Å; V216-Y257 HydrophobicContact CG1-CG 4.09Å |
| 217 | N | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 104 | -175.7 | -64.4 | 117.8 | 0 | 0 | 0 | 109.7 | N68 T70 G73 S214 P219 S255 Y257 | N68-N217 PolarHBondContact ND2-OD1 3.49Å; T70-N217 WeakPolarHBondContact CA-OD1 3.44Å; T70-N217 VanDerWaalsContact CG2-OD1 3.3Å; T70-N217 WeakPolarHBondContact CG2-OD1 3.31Å; T70-N217 WeakPolarHBondContact O-CB 3.29Å; G73-N217 VanDerWaalsContact CA-O 3.24Å; G73-N217 WeakPolarHBondContact CA-O 3.4Å; S214-N217 WeakPolarHBondContact CB-O 3.33Å; S214-N217 PolarHBondContact OG-N 3.39Å; N217-P219 WeakPolarHBondContact O-CD 3.38Å; N217-S255 PolarHBondContact ND2-OG 3.09Å; N217-S255 VanDerWaalsContact ND2-OG 3.1Å; N217-Y257 PolarHBondContact ND2-OH 2.89Å; N217-Y257 VanDerWaalsContact ND2-OH 3.15Å; N217-Y257 PolarHBondContact OD1-OH 3.48Å |
| 218 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 97.1 | -176.2 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | L193 Y194 I197 F220 R253 A254 L256 | L193-V218 HydrophobicContact CD2-CB 3.63Å; L193-V218 HydrophobicContact CD2-CG1 3.66Å; L193-V218 HydrophobicContact CD2-CG2 3.92Å; L193-V218 HydrophobicContact CG-CG1 4.31Å; Y194-V218 HydrophobicContact CD1-CG1 4.08Å; Y194-V218 HydrophobicContact CE1-CB 4.45Å; Y194-V218 HydrophobicContact CE1-CG1 3.48Å; Y194-V218 VanDerWaalsContact CE1-CG1 3.48Å; Y194-V218 HydrophobicContact CE1-CG2 4.36Å; Y194-V218 HydrophobicContact CE2-CG1 4.42Å; Y194-V218 HydrophobicContact CE2-CG2 3.82Å; I197-V218 HydrophobicContact CD1-CG1 3.73Å; V218-F220 WeakPolarHBondContact O-CD1 3.27Å; V218-R253 WeakPolarHBondContact O-CA 3.41Å; V218-A254 HydrophobicContact CB-CB 4.5Å; V218-A254 PolarHBondContact N-O 2.73Å; V218-A254 PolarHBondContact O-N 2.96Å; V218-L256 HydrophobicContact CG2-CD1 3.85Å |
| 219 | P | 98.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 7% | 0.071 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 144.9 | 172.4 | 33.2 | -36.3 | 0 | 0 | 0 | 110.6 | N72 N206 I208 N217 L252 | N72-P219 WeakPolarHBondContact O-CG 3.34Å; N206-P219 PolarHBondContact ND2-O 3.12Å; I208-P219 HydrophobicContact CG1-CG 4Å; N217-P219 WeakPolarHBondContact O-CD 3.38Å; P219-L252 CarbonylContact C-O 3.6Å; P219-L252 VanDerWaalsContact CA-O 3.3Å; P219-L252 WeakPolarHBondContact CA-O 3.23Å |
| 220 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 158.7 | 173.4 | 58.8 | -78.1 | 0 | 0 | 0 | 110.8 | I197 Y204 I205 V218 L222 F231 L252 A254 M272 | I197-F220 HydrophobicContact CD1-CB 4.05Å; I197-F220 HydrophobicContact CD1-CD1 4.41Å; I197-F220 HydrophobicContact CD1-CG 4.3Å; Y204-F220 AromaticContact CD1-CD2 3.85Å; Y204-F220 HydrophobicContact CD1-CD2 3.85Å; Y204-F220 HydrophobicContact CD1-CE2 4.01Å; Y204-F220 HydrophobicContact CE1-CE2 4.25Å; I205-F220 CarbonylContact O-C 3.57Å; I205-F220 VanDerWaalsContact O-CA 3.26Å; I205-F220 WeakPolarHBondContact O-CA 3.48Å; V218-F220 WeakPolarHBondContact O-CD1 3.27Å; F220-L222 HydrophobicContact CD2-CD1 4.38Å; F220-L222 HydrophobicContact CE2-CD1 4.39Å; F220-F231 HydrophobicContact CE2-CE1 4.39Å; F220-F231 HydrophobicContact CE2-CE2 4.38Å; F220-F231 AromaticContact CE2-CZ 3.99Å; F220-F231 HydrophobicContact CE2-CZ 3.99Å; F220-F231 HydrophobicContact CZ-CE1 4.22Å; F220-F231 AromaticContact CZ-CZ 3.97Å; F220-F231 HydrophobicContact CZ-CZ 3.97Å; F220-L252 HydrophobicContact CD1-CB 4.19Å; F220-L252 HydrophobicContact CD2-CB 4.05Å; F220-L252 HydrophobicContact CD2-CD1 3.86Å; F220-L252 HydrophobicContact CE1-CB 3.88Å; F220-L252 HydrophobicContact CE2-CB 3.76Å; F220-L252 HydrophobicContact CE2-CD1 3.25Å; F220-L252 HydrophobicContact CE2-CG 4.15Å; F220-L252 HydrophobicContact CG-CB 4.26Å; F220-L252 HydrophobicContact CZ-CB 3.65Å; F220-L252 HydrophobicContact CZ-CD1 3.77Å; F220-L252 HydrophobicContact CZ-CG 4.38Å; F220-L252 PolarHBondContact N-O 3.13Å; F220-L252 WeakPolarHBondContact O-CB 3.24Å; F220-L252 PolarHBondContact O-N 3Å; F220-A254 HydrophobicContact CE1-CB 4.46Å; F220-M272 HydrophobicContact CD2-CE 4.4Å; F220-M272 HydrophobicContact CE2-CE 4.04Å; F220-M272 HydrophobicContact CZ-CE 4.3Å; F220-M272 HydrophobicContact CZ-SD 4.33Å |
| 221 | R | 97.8 | Very high | 97.4 | Very high | 90 Ų | 90 | 42 Ų | 42 | 34% | 0.34 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -118.1 | 158 | -179.7 | -51.8 | -56.7 | -58.2 | -96 | -2.2 | 109.5 | Y204 I205 E228 G251 | Y204-R221 WeakPolarHBondContact CA-O 3.49Å; I205-R221 HydrophobicContact CB-CB 4.33Å; I205-R221 PolarHBondContact N-O 3.1Å; I205-R221 PolarHBondContact O-N 2.9Å; R221-E228 IonicContact CZ-OE1 3.92Å; R221-E228 IonicContact NE-OE1 2.75Å; R221-E228 PolarHBondContact NE-OE1 2.91Å; R221-E228 IonicContact NH2-OE1 2.76Å; R221-E228 PolarHBondContact NH2-OE1 2.83Å; R221-E228 IonicContact NH2-OE2 3.47Å; R221-E228 PolarHBondContact NH2-OE2 2.86Å; R221-G251 VanDerWaalsContact NE-CA 3.35Å |
| 222 | L | 97.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | trans | -110.3 | 175.7 | 161.7 | -74.9 | 81.3 | 0 | 0 | 0 | 109.1 | F203 Y204 F220 N224 L227 E228 F231 L252 F275 | F203-L222 HydrophobicContact CE1-CD2 3.8Å; F203-L222 HydrophobicContact CE1-CG 4.44Å; F203-L222 HydrophobicContact CZ-CD2 3.99Å; Y204-L222 HydrophobicContact CD1-CD1 4.03Å; Y204-L222 HydrophobicContact CD1-CG 4.07Å; Y204-L222 HydrophobicContact CE1-CD1 4.09Å; Y204-L222 HydrophobicContact CE1-CD2 4.16Å; Y204-L222 HydrophobicContact CE1-CG 4.12Å; F220-L222 HydrophobicContact CD2-CD1 4.38Å; F220-L222 HydrophobicContact CE2-CD1 4.39Å; L222-N224 PolarHBondContact O-N 2.84Å; L222-L227 HydrophobicContact CB-CB 4.39Å; L222-L227 HydrophobicContact CB-CD2 4.15Å; L222-L227 HydrophobicContact CB-CG 4.32Å; L222-L227 HydrophobicContact CD2-CB 4.41Å; L222-L227 HydrophobicContact CD2-CD2 3.79Å; L222-L227 HydrophobicContact CD2-CG 3.62Å; L222-E228 HydrophobicContact CB-CG 3.98Å; L222-E228 HydrophobicContact CD1-CG 4.14Å; L222-E228 PolarHBondContact N-OE1 2.93Å; L222-F231 HydrophobicContact CD1-CD2 4.44Å; L222-F231 HydrophobicContact CD2-CB 4.35Å; L222-F231 HydrophobicContact CD2-CD2 4.29Å; L222-L252 HydrophobicContact CD1-CD1 3.19Å; L222-L252 HydrophobicContact CD1-CG 4.24Å; L222-F275 HydrophobicContact CD2-CD1 4.31Å; L222-F275 HydrophobicContact CD2-CE1 3.62Å; L222-F275 HydrophobicContact CD2-CZ 4.49Å | ||
| 223 | K | 92.4 | Very high | 97.5 | Very high | 116 Ų | 116 | 43.7 Ų | 43.7 | 50% | 0.504 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -49.9 | -33.1 | -177.5 | -66.9 | 177.6 | -175.8 | 168.4 | 0 | 113.8 | D280 | K223-D280 IonicContact NZ-OD1 2.65Å; K223-D280 PolarHBondContact NZ-OD1 2.83Å |
| 224 | N | 93.8 | Very high | 97.5 | Very high | 85 Ų | 85 | 44.2 Ų | 44.2 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -158.8 | 168 | 176.6 | 62.1 | 65.2 | 0 | 0 | 0 | 112.5 | L222 E226 L227 E228 | L222-N224 PolarHBondContact O-N 2.84Å; N224-E226 VanDerWaalsContact C-N 3.33Å; N224-E226 PolarHBondContact O-N 3.49Å; N224-E226 PolarHBondContact OD1-N 3.47Å; N224-E226 VanDerWaalsContact OD1-N 3.11Å; N224-L227 PolarHBondContact O-N 2.85Å; N224-L227 PolarHBondContact OD1-N 3Å; N224-E228 WeakPolarHBondContact O-CG 3.32Å; N224-E228 PolarHBondContact O-N 3.28Å; N224-E228 VanDerWaalsContact O-N 3.12Å |
| 225 | A | 94.7 | Very high | 97.5 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 57% | 0.57 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.8 | -28.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | E228 K229 | A225-E228 PolarHBondContact O-N 3.06Å; A225-K229 PolarHBondContact O-N 2.89Å |
| 226 | E | 96.7 | Very high | 97.4 | Very high | 114 Ų | 114 | 49.9 Ų | 49.9 | 53% | 0.533 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.6 | -36.9 | 177.9 | -167.1 | 59.8 | -149.1 | 0 | 0 | 110.8 | N224 K229 T230 | N224-E226 VanDerWaalsContact C-N 3.33Å; N224-E226 PolarHBondContact O-N 3.49Å; N224-E226 PolarHBondContact OD1-N 3.47Å; N224-E226 VanDerWaalsContact OD1-N 3.11Å; E226-K229 WeakPolarHBondContact O-CB 3.29Å; E226-K229 PolarHBondContact O-N 2.83Å; E226-K229 IonicContact OE1-NZ 3.88Å; E226-T230 PolarHBondContact O-N 3.14Å; E226-T230 PolarHBondContact O-OG1 3.44Å |
| 227 | L | 97.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 173.7 | -165 | 61.5 | 0 | 0 | 0 | 111.6 | F203 L222 N224 K229 T230 F231 F275 H279 | F203-L227 HydrophobicContact CE2-CD2 3.96Å; F203-L227 HydrophobicContact CZ-CD2 4.02Å; L222-L227 HydrophobicContact CB-CB 4.39Å; L222-L227 HydrophobicContact CB-CD2 4.15Å; L222-L227 HydrophobicContact CB-CG 4.32Å; L222-L227 HydrophobicContact CD2-CB 4.41Å; L222-L227 HydrophobicContact CD2-CD2 3.79Å; L222-L227 HydrophobicContact CD2-CG 3.62Å; N224-L227 PolarHBondContact O-N 2.85Å; N224-L227 PolarHBondContact OD1-N 3Å; L227-K229 VanDerWaalsContact C-N 3.34Å; L227-K229 PolarHBondContact O-N 3.2Å; L227-T230 PolarHBondContact O-N 2.99Å; L227-F231 WeakPolarHBondContact O-CB 3.47Å; L227-F231 PolarHBondContact O-N 2.98Å; L227-F275 HydrophobicContact CD1-CE1 4.1Å; L227-F275 HydrophobicContact CD1-CZ 4.03Å; L227-F275 HydrophobicContact CG-CE1 4.28Å; L227-F275 HydrophobicContact CG-CZ 4.49Å; L227-H279 HydrophobicContact CD1-CB 4.09Å |
| 228 | E | 98 | Very high | 97.3 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.065 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 170.9 | -67 | 173.1 | 164.5 | 0 | 0 | 111.6 | R221 L222 N224 A225 F231 L232 G251 | R221-E228 IonicContact CZ-OE1 3.92Å; R221-E228 IonicContact NE-OE1 2.75Å; R221-E228 PolarHBondContact NE-OE1 2.91Å; R221-E228 IonicContact NH2-OE1 2.76Å; R221-E228 PolarHBondContact NH2-OE1 2.83Å; R221-E228 IonicContact NH2-OE2 3.47Å; R221-E228 PolarHBondContact NH2-OE2 2.86Å; L222-E228 HydrophobicContact CB-CG 3.98Å; L222-E228 HydrophobicContact CD1-CG 4.14Å; L222-E228 PolarHBondContact N-OE1 2.93Å; N224-E228 WeakPolarHBondContact O-CG 3.32Å; N224-E228 PolarHBondContact O-N 3.28Å; N224-E228 VanDerWaalsContact O-N 3.12Å; A225-E228 PolarHBondContact O-N 3.06Å; E228-F231 WeakPolarHBondContact O-CB 3.45Å; E228-F231 PolarHBondContact O-N 3Å; E228-L232 WeakPolarHBondContact O-CG 3.43Å; E228-L232 PolarHBondContact O-N 3.44Å; E228-G251 WeakPolarHBondContact OE1-CA 3.37Å |
| 229 | K | 97.7 | Very high | 97.2 | Very high | 132 Ų | 132 | 61.9 Ų | 61.9 | 57% | 0.574 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 175.3 | -175.7 | -175.5 | 173.5 | -164.6 | 0 | 112 | A225 E226 L227 L232 S233 | A225-K229 PolarHBondContact O-N 2.89Å; E226-K229 WeakPolarHBondContact O-CB 3.29Å; E226-K229 PolarHBondContact O-N 2.83Å; E226-K229 IonicContact OE1-NZ 3.88Å; L227-K229 VanDerWaalsContact C-N 3.34Å; L227-K229 PolarHBondContact O-N 3.2Å; K229-L232 PolarHBondContact O-N 3.17Å; K229-S233 PolarHBondContact O-N 3.24Å |
| 230 | T | 98.1 | Very high | 97.2 | Very high | 48 Ų | 48 | 63 Ų | 63 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 174.9 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | E226 L227 L232 S233 S234 F275 | E226-T230 PolarHBondContact O-N 3.14Å; E226-T230 PolarHBondContact O-OG1 3.44Å; L227-T230 PolarHBondContact O-N 2.99Å; T230-L232 PolarHBondContact O-N 2.98Å; T230-S233 PolarHBondContact O-N 2.86Å; T230-S234 WeakPolarHBondContact O-CB 3.47Å; T230-S234 PolarHBondContact O-N 2.8Å; T230-S234 PolarHBondContact O-OG 3.49Å; T230-F275 HydrophobicContact CG2-CE2 4.15Å; T230-F275 HydrophobicContact CG2-CZ 4.16Å |
| 231 | F | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -55.5 | -49.9 | 174.8 | -177.4 | -80.3 | 0 | 0 | 0 | 111.6 | Y204 F220 L222 L227 E228 S233 S234 A235 L243 L252 L268 F271 M272 F275 | Y204-F231 HydrophobicContact CE1-CD2 4.17Å; Y204-F231 AromaticContact CE1-CE2 3.79Å; Y204-F231 HydrophobicContact CE1-CE2 3.79Å; F220-F231 HydrophobicContact CE2-CE1 4.39Å; F220-F231 HydrophobicContact CE2-CE2 4.38Å; F220-F231 AromaticContact CE2-CZ 3.99Å; F220-F231 HydrophobicContact CE2-CZ 3.99Å; F220-F231 HydrophobicContact CZ-CE1 4.22Å; F220-F231 AromaticContact CZ-CZ 3.97Å; F220-F231 HydrophobicContact CZ-CZ 3.97Å; L222-F231 HydrophobicContact CD1-CD2 4.44Å; L222-F231 HydrophobicContact CD2-CB 4.35Å; L222-F231 HydrophobicContact CD2-CD2 4.29Å; L227-F231 WeakPolarHBondContact O-CB 3.47Å; L227-F231 PolarHBondContact O-N 2.98Å; E228-F231 WeakPolarHBondContact O-CB 3.45Å; E228-F231 PolarHBondContact O-N 3Å; F231-S233 VanDerWaalsContact C-N 3.33Å; F231-S233 PolarHBondContact O-N 3.42Å; F231-S234 PolarHBondContact O-N 3.31Å; F231-A235 HydrophobicContact CE1-CB 4.47Å; F231-A235 WeakPolarHBondContact O-CB 3.23Å; F231-A235 PolarHBondContact O-N 2.88Å; F231-L243 HydrophobicContact CE1-CD1 3.99Å; F231-L252 HydrophobicContact CB-CD1 4.26Å; F231-L252 HydrophobicContact CD1-CD1 3.39Å; F231-L252 HydrophobicContact CD1-CD2 3.95Å; F231-L252 HydrophobicContact CD1-CG 4.33Å; F231-L252 HydrophobicContact CD2-CD1 4.23Å; F231-L252 HydrophobicContact CE1-CD1 3.65Å; F231-L252 HydrophobicContact CE1-CD2 4.46Å; F231-L252 HydrophobicContact CE2-CD1 4.43Å; F231-L252 HydrophobicContact CG-CD1 3.71Å; F231-L252 HydrophobicContact CZ-CD1 4.16Å; F231-L268 HydrophobicContact CZ-CD1 4.45Å; F231-F271 HydrophobicContact CD1-CE1 4.23Å; F231-F271 AromaticContact CD2-CE1 3.9Å; F231-F271 HydrophobicContact CD2-CE1 3.9Å; F231-F271 HydrophobicContact CD2-CZ 4.49Å; F231-F271 AromaticContact CE1-CE1 3.86Å; F231-F271 HydrophobicContact CE1-CE1 3.86Å; F231-F271 HydrophobicContact CE2-CD1 4.09Å; F231-F271 AromaticContact CE2-CE1 3.5Å; F231-F271 HydrophobicContact CE2-CE1 3.5Å; F231-F271 VanDerWaalsContact CE2-CE1 3.5Å; F231-F271 HydrophobicContact CE2-CZ 4.47Å; F231-F271 HydrophobicContact CG-CE1 4.25Å; F231-F271 AromaticContact CZ-CD1 3.94Å; F231-F271 HydrophobicContact CZ-CD1 3.94Å; F231-F271 AromaticContact CZ-CE1 3.49Å; F231-F271 HydrophobicContact CZ-CE1 3.49Å; F231-F271 VanDerWaalsContact CZ-CE1 3.49Å; F231-M272 HydrophobicContact CE2-CG 3.93Å; F231-M272 HydrophobicContact CZ-CG 3.88Å; F231-F275 VanDerWaalsContact CA-CE2 3.44Å; F231-F275 HydrophobicContact CB-CE1 4.05Å; F231-F275 HydrophobicContact CB-CE2 4.05Å; F231-F275 HydrophobicContact CB-CZ 3.71Å; F231-F275 AromaticContact CD2-CD1 3.68Å; F231-F275 HydrophobicContact CD2-CD1 3.68Å; F231-F275 HydrophobicContact CD2-CD2 4.21Å; F231-F275 AromaticContact CD2-CE1 3.85Å; F231-F275 HydrophobicContact CD2-CE1 3.85Å; F231-F275 HydrophobicContact CD2-CE2 4.37Å; F231-F275 AromaticContact CD2-CG 3.86Å; F231-F275 HydrophobicContact CD2-CG 3.86Å; F231-F275 HydrophobicContact CD2-CZ 4.2Å; F231-F275 HydrophobicContact CE2-CD1 4.4Å; F231-F275 HydrophobicContact CE2-CG 4.43Å; F231-F275 HydrophobicContact CG-CE1 4.46Å; F231-F275 HydrophobicContact CG-CZ 4.43Å |
| 232 | L | 98.3 | Very high | 97.1 | Very high | 62 Ų | 62 | 69.5 Ų | 69.5 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 179.6 | -70.6 | 170.2 | 0 | 0 | 0 | 112.6 | E228 K229 T230 K236 L243 L252 | E228-L232 WeakPolarHBondContact O-CG 3.43Å; E228-L232 PolarHBondContact O-N 3.44Å; K229-L232 PolarHBondContact O-N 3.17Å; T230-L232 PolarHBondContact O-N 2.98Å; L232-K236 WeakPolarHBondContact O-CB 3.46Å; L232-K236 PolarHBondContact O-N 3.39Å; L232-L243 HydrophobicContact CD2-CB 3.91Å; L232-L252 HydrophobicContact CD1-CD2 4.02Å; L232-L252 HydrophobicContact CD2-CD2 3.51Å; L232-L252 HydrophobicContact CG-CD2 3.56Å |
| 233 | S | 98.1 | Very high | 97.1 | Very high | 84 Ų | 84 | 69.7 Ų | 69.7 | 59% | 0.587 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.6 | -44.7 | 177.5 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | K229 T230 F231 K236 S237 | K229-S233 PolarHBondContact O-N 3.24Å; T230-S233 PolarHBondContact O-N 2.86Å; F231-S233 VanDerWaalsContact C-N 3.33Å; F231-S233 PolarHBondContact O-N 3.42Å; S233-K236 PolarHBondContact O-N 3.09Å; S233-S237 PolarHBondContact O-N 2.95Å |
| 234 | S | 98.2 | Very high | 97.4 | Very high | 38 Ų | 38 | 65.8 Ų | 65.8 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.5 | -35.6 | 178.4 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | T230 F231 S237 | T230-S234 WeakPolarHBondContact O-CB 3.47Å; T230-S234 PolarHBondContact O-N 2.8Å; T230-S234 PolarHBondContact O-OG 3.49Å; F231-S234 PolarHBondContact O-N 3.31Å; S234-S237 PolarHBondContact O-N 3.09Å; S234-S237 PolarHBondContact O-OG 3.23Å |
| 235 | A | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F231 S237 V238 G239 L240 L243 F271 | F231-A235 HydrophobicContact CE1-CB 4.47Å; F231-A235 WeakPolarHBondContact O-CB 3.23Å; F231-A235 PolarHBondContact O-N 2.88Å; A235-S237 VanDerWaalsContact C-N 3.29Å; A235-S237 PolarHBondContact O-N 2.94Å; A235-V238 WeakPolarHBondContact O-CG2 3.29Å; A235-V238 PolarHBondContact O-N 3.07Å; A235-V238 VanDerWaalsContact O-N 3.13Å; A235-G239 PolarHBondContact O-N 3.35Å; A235-L240 CarbonylContact C-O 3.13Å; A235-L240 HydrophobicContact CB-CB 3.92Å; A235-L240 WeakPolarHBondContact O-CB 3.29Å; A235-L240 PolarHBondContact O-N 3.03Å; A235-L243 HydrophobicContact CB-CD1 3.93Å; A235-F271 VanDerWaalsContact CA-CZ 3.43Å; A235-F271 HydrophobicContact CB-CD1 4.43Å; A235-F271 HydrophobicContact CB-CE1 3.68Å; A235-F271 HydrophobicContact CB-CE2 4.4Å; A235-F271 HydrophobicContact CB-CZ 3.68Å; A235-F271 VanDerWaalsContact N-CZ 3.26Å |
| 236 | K | 97.9 | Very high | 97.4 | Very high | 152 Ų | 152 | 62.1 Ų | 62.1 | 66% | 0.661 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.7 | -35.5 | 179.8 | -174.1 | 176 | -179.9 | -180 | 0 | 112.6 | L232 S233 V238 G239 L240 | L232-K236 WeakPolarHBondContact O-CB 3.46Å; L232-K236 PolarHBondContact O-N 3.39Å; S233-K236 PolarHBondContact O-N 3.09Å; K236-V238 PolarHBondContact O-N 3.22Å; K236-G239 PolarHBondContact O-N 3.45Å; K236-G239 VanDerWaalsContact O-N 3.13Å; K236-L240 WeakPolarHBondContact CA-O 3.44Å; K236-L240 PolarHBondContact N-O 3.07Å |
| 237 | S | 97.3 | Very high | 97.2 | Very high | 99 Ų | 99 | 67.9 Ų | 67.9 | 69% | 0.692 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.9 | -21.1 | 179.5 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | S233 S234 A235 | S233-S237 PolarHBondContact O-N 2.95Å; S234-S237 PolarHBondContact O-N 3.09Å; S234-S237 PolarHBondContact O-OG 3.23Å; A235-S237 VanDerWaalsContact C-N 3.29Å; A235-S237 PolarHBondContact O-N 2.94Å |
| 238 | V | 97.2 | Very high | 96.6 | Very high | 93 Ų | 93 | 70 Ų | 70 | 56% | 0.564 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 13.6 | 174.1 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | A235 K236 L240 F271 | A235-V238 WeakPolarHBondContact O-CG2 3.29Å; A235-V238 PolarHBondContact O-N 3.07Å; A235-V238 VanDerWaalsContact O-N 3.13Å; K236-V238 PolarHBondContact O-N 3.22Å; V238-L240 HydrophobicContact CG2-CD1 3.96Å; V238-L240 HydrophobicContact CG2-CG 4.13Å; V238-F271 HydrophobicContact CG2-CD2 3.82Å; V238-F271 HydrophobicContact CG2-CE2 4.17Å |
| 239 | G | 97.2 | Very high | 96.2 | Very high | 59 Ų | 59 | 72.1 Ų | 72.1 | 61% | 0.608 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 8.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A235 K236 | A235-G239 PolarHBondContact O-N 3.35Å; K236-G239 PolarHBondContact O-N 3.45Å; K236-G239 VanDerWaalsContact O-N 3.13Å |
| 240 | L | 98 | Very high | 96 | Very high | 35 Ų | 35 | 67.3 Ų | 67.3 | 18% | 0.183 | 40% | 0.399 | C | S | . | . | trans | -87.6 | 109.1 | 172.7 | -64.5 | 170.7 | 0 | 0 | 0 | 109.5 | A235 K236 V238 L243 L268 F271 | A235-L240 CarbonylContact C-O 3.13Å; A235-L240 HydrophobicContact CB-CB 3.92Å; A235-L240 WeakPolarHBondContact O-CB 3.29Å; A235-L240 PolarHBondContact O-N 3.03Å; K236-L240 WeakPolarHBondContact CA-O 3.44Å; K236-L240 PolarHBondContact N-O 3.07Å; V238-L240 HydrophobicContact CG2-CD1 3.96Å; V238-L240 HydrophobicContact CG2-CG 4.13Å; L240-L243 HydrophobicContact CB-CD1 4.1Å; L240-L268 HydrophobicContact CD1-CD1 4.14Å; L240-L268 HydrophobicContact CD2-CB 4.43Å; L240-F271 HydrophobicContact CD1-CB 3.51Å; L240-F271 HydrophobicContact CD1-CD1 3.83Å; L240-F271 HydrophobicContact CD1-CD2 4.21Å; L240-F271 HydrophobicContact CD1-CG 3.57Å | ||
| 241 | T | 97.2 | Very high | 95.9 | Very high | 82 Ų | 82 | 65.4 Ų | 65.4 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | trans | -114.8 | 172 | -176.3 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | L243 | T241-L243 PolarHBondContact O-N 2.93Å; T241-L243 VanDerWaalsContact O-N 3.11Å | ||
| 242 | D | 96.7 | Very high | 95.9 | Very high | 144 Ų | 144 | 65.5 Ų | 65.5 | 77% | 0.77 | 39% | 0.39 | S | S | * | . | trans | 60.7 | 24.7 | 170.9 | -52.6 | -62.9 | 0 | 0 | 0 | 115.7 | G244 | D242-G244 VanDerWaalsContact C-N 3.34Š| ||
| 243 | L | 98.2 | Very high | 96 | Very high | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | trans | -86.6 | -1.5 | 177.2 | -64.3 | 173.2 | 0 | 0 | 0 | 113.9 | F231 L232 A235 L240 T241 G245 L252 R253 A254 L268 | F231-L243 HydrophobicContact CE1-CD1 3.99Å; L232-L243 HydrophobicContact CD2-CB 3.91Å; A235-L243 HydrophobicContact CB-CD1 3.93Å; L240-L243 HydrophobicContact CB-CD1 4.1Å; T241-L243 PolarHBondContact O-N 2.93Å; T241-L243 VanDerWaalsContact O-N 3.11Å; L243-G245 PolarHBondContact O-N 2.83Å; L243-L252 CarbonylContact O-C 3.5Å; L243-L252 VanDerWaalsContact O-CA 3.22Å; L243-L252 WeakPolarHBondContact O-CA 3.29Å; L243-R253 WeakPolarHBondContact CA-O 3.42Å; L243-R253 PolarHBondContact O-N 2.93Å; L243-A254 HydrophobicContact CD2-CB 4.17Å; L243-L268 HydrophobicContact CD1-CD1 3.72Å; L243-L268 HydrophobicContact CD2-CD1 4.32Å; L243-L268 HydrophobicContact CD2-CD2 4Å | ||
| 244 | G | 97.6 | Very high | 96 | Very high | 34 Ų | 34 | 60.7 Ų | 60.7 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 130.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D242 | D242-G244 VanDerWaalsContact C-N 3.34Å |
| 245 | G | 96.2 | Very high | 96 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 157.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L243 G251 | L243-G245 PolarHBondContact O-N 2.83Å; G245-G251 WeakPolarHBondContact CA-O 3.44Å; G245-G251 PolarHBondContact N-O 2.84Å |
| 246 | H | 93.1 | Very high | 96 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 142.3 | 178 | -175.2 | -99 | 0 | 0 | 0 | 110.8 | I71 S248 V249 G250 | I71-H246 HydrophobicContact CB-CB 4.44Å; I71-H246 HydrophobicContact CD1-CB 4.47Å; I71-H246 HydrophobicContact CG1-CB 4Å; I71-H246 HydrophobicContact CG2-CB 3.82Å; H246-S248 PolarHBondContact CE1-OG 3.17Å; H246-S248 PolarHBondContact ND1-N 2.85Å; H246-S248 PolarHBondContact ND1-OG 2.91Å; H246-S248 PolarHBondContact O-N 3.08Å; H246-V249 PolarHBondContact O-N 3.2Å; H246-G250 PolarHBondContact O-N 2.83Å |
| 247 | R | 91.1 | Very high | 96 | Very high | 236 Ų | 236 | 55.2 Ų | 55.2 | 89% | 0.891 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -27.4 | -176.2 | 66.6 | 179.9 | 179.5 | 178.3 | 0.5 | 115.6 | ||
| 248 | S | 86.5 | Confident | 96.1 | Very high | 69 Ų | 69 | 51 Ų | 51 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -14.5 | -179.5 | 65.8 | 0 | 0 | 0 | 0 | 114.2 | H246 | H246-S248 PolarHBondContact CE1-OG 3.17Å; H246-S248 PolarHBondContact ND1-N 2.85Å; H246-S248 PolarHBondContact ND1-OG 2.91Å; H246-S248 PolarHBondContact O-N 3.08Å |
| 249 | V | 89.7 | Confident | 96 | Very high | 57 Ų | 57 | 49.7 Ų | 49.7 | 35% | 0.345 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -30.7 | -177.7 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | I71 H246 | I71-V249 HydrophobicContact CG2-CG2 3.51Å; H246-V249 PolarHBondContact O-N 3.2Å |
| 250 | G | 92.6 | Very high | 96 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 32% | 0.32 | 29% | 0.289 | S | S | . | . | trans | 70.7 | -163.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H246 | H246-G250 PolarHBondContact O-N 2.83Š| ||
| 251 | G | 96.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 9% | 0.093 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 71.5 | -149 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R221 E228 G245 | R221-G251 VanDerWaalsContact NE-CA 3.35Å; E228-G251 WeakPolarHBondContact OE1-CA 3.37Å; G245-G251 WeakPolarHBondContact CA-O 3.44Å; G245-G251 PolarHBondContact N-O 2.84Å |
| 252 | L | 98.5 | Very high | 96 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 156.6 | -178.2 | -56.3 | 173.7 | 0 | 0 | 0 | 110.3 | P219 F220 L222 F231 L232 L243 | P219-L252 CarbonylContact C-O 3.6Å; P219-L252 VanDerWaalsContact CA-O 3.3Å; P219-L252 WeakPolarHBondContact CA-O 3.23Å; F220-L252 HydrophobicContact CD1-CB 4.19Å; F220-L252 HydrophobicContact CD2-CB 4.05Å; F220-L252 HydrophobicContact CD2-CD1 3.86Å; F220-L252 HydrophobicContact CE1-CB 3.88Å; F220-L252 HydrophobicContact CE2-CB 3.76Å; F220-L252 HydrophobicContact CE2-CD1 3.25Å; F220-L252 HydrophobicContact CE2-CG 4.15Å; F220-L252 HydrophobicContact CG-CB 4.26Å; F220-L252 HydrophobicContact CZ-CB 3.65Å; F220-L252 HydrophobicContact CZ-CD1 3.77Å; F220-L252 HydrophobicContact CZ-CG 4.38Å; F220-L252 PolarHBondContact N-O 3.13Å; F220-L252 WeakPolarHBondContact O-CB 3.24Å; F220-L252 PolarHBondContact O-N 3Å; L222-L252 HydrophobicContact CD1-CD1 3.19Å; L222-L252 HydrophobicContact CD1-CG 4.24Å; F231-L252 HydrophobicContact CB-CD1 4.26Å; F231-L252 HydrophobicContact CD1-CD1 3.39Å; F231-L252 HydrophobicContact CD1-CD2 3.95Å; F231-L252 HydrophobicContact CD1-CG 4.33Å; F231-L252 HydrophobicContact CD2-CD1 4.23Å; F231-L252 HydrophobicContact CE1-CD1 3.65Å; F231-L252 HydrophobicContact CE1-CD2 4.46Å; F231-L252 HydrophobicContact CE2-CD1 4.43Å; F231-L252 HydrophobicContact CG-CD1 3.71Å; F231-L252 HydrophobicContact CZ-CD1 4.16Å; L232-L252 HydrophobicContact CD1-CD2 4.02Å; L232-L252 HydrophobicContact CD2-CD2 3.51Å; L232-L252 HydrophobicContact CG-CD2 3.56Å; L243-L252 CarbonylContact O-C 3.5Å; L243-L252 VanDerWaalsContact O-CA 3.22Å; L243-L252 WeakPolarHBondContact O-CA 3.29Å |
| 253 | R | 98.5 | Very high | 96 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 121.4 | 174.2 | -173.7 | -176.9 | 64.6 | 177.6 | -3.5 | 111.2 | T70 V218 L243 | T70-R253 PolarHBondContact O-NH1 3.06Å; V218-R253 WeakPolarHBondContact O-CA 3.41Å; L243-R253 WeakPolarHBondContact CA-O 3.42Å; L243-R253 PolarHBondContact O-N 2.93Å |
| 254 | A | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.1 | 167 | 0 | 0 | 0 | 0 | 0 | 109.8 | L193 V218 F220 L243 L256 L268 | L193-A254 HydrophobicContact CD2-CB 3.47Å; L193-A254 VanDerWaalsContact CD2-CB 3.47Å; V218-A254 HydrophobicContact CB-CB 4.5Å; V218-A254 PolarHBondContact N-O 2.73Å; V218-A254 PolarHBondContact O-N 2.96Å; F220-A254 HydrophobicContact CE1-CB 4.46Å; L243-A254 HydrophobicContact CD2-CB 4.17Å; A254-L256 HydrophobicContact CB-CD2 4.22Å; A254-L268 HydrophobicContact CB-CD2 3.63Å |
| 255 | S | 98.5 | Very high | 96 | Very high | 35 Ų | 35 | 49.3 Ų | 49.3 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.1 | 175 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | V216 N217 | V216-S255 CarbonylContact O-C 3.54Å; V216-S255 WeakPolarHBondContact O-CA 3.37Å; N217-S255 PolarHBondContact ND2-OG 3.09Å; N217-S255 VanDerWaalsContact ND2-OG 3.1Å |
| 256 | L | 98.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | trans | -113 | 37.2 | -164 | -52.6 | 176.6 | 0 | 0 | 0 | 111.8 | K189 L193 V216 V218 A254 L260 A265 | K189-L256 HydrophobicContact CB-CB 4.42Å; K189-L256 HydrophobicContact CB-CD1 4.13Å; K189-L256 HydrophobicContact CD-CB 4.47Å; K189-L256 WeakPolarHBondContact CE-O 3.42Å; K189-L256 PolarHBondContact NZ-O 2.87Å; L193-L256 HydrophobicContact CD2-CD1 4.28Å; V216-L256 PolarHBondContact O-N 3.2Å; V218-L256 HydrophobicContact CG2-CD1 3.85Å; A254-L256 HydrophobicContact CB-CD2 4.22Å; L256-L260 HydrophobicContact CD2-CD2 3.8Å; L256-A265 HydrophobicContact CD2-CB 4.49Å | ||
| 257 | Y | 98.5 | Very high | 96.4 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | trans | -54.7 | 166.9 | 178 | -60.6 | -66.9 | 0 | 0 | 0 | 112.8 | T70 S94 K115 N116 K189 V216 N217 G259 L260 | T70-Y257 VanDerWaalsContact CG2-OH 3.25Å; T70-Y257 WeakPolarHBondContact CG2-OH 3.44Å; S94-Y257 WeakPolarHBondContact O-CE1 3.19Å; K115-Y257 HydrophobicContact CB-CE1 3.93Å; K115-Y257 VanDerWaalsContact O-CD1 3.32Å; K115-Y257 WeakPolarHBondContact O-CD1 3.5Å; K115-Y257 WeakPolarHBondContact O-CD2 3.31Å; N116-Y257 HydrophobicContact CB-CD1 4.1Å; K189-Y257 PolarHBondContact NZ-O 3.4Å; V216-Y257 HydrophobicContact CG1-CD1 3.27Å; V216-Y257 HydrophobicContact CG1-CE1 3.24Å; V216-Y257 HydrophobicContact CG1-CG 4.09Å; N217-Y257 PolarHBondContact ND2-OH 2.89Å; N217-Y257 VanDerWaalsContact ND2-OH 3.15Å; N217-Y257 PolarHBondContact OD1-OH 3.48Å; Y257-G259 PolarHBondContact O-N 3.33Å; Y257-G259 VanDerWaalsContact O-N 3.12Å; Y257-L260 WeakPolarHBondContact O-CB 3.38Å; Y257-L260 PolarHBondContact O-N 3.41Å | ||
| 258 | N | 98.3 | Very high | 96.8 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -34 | -174.3 | -72 | -5.8 | 0 | 0 | 0 | 113.7 | G97 N116 W172 M182 L260 | G97-N258 PolarHBondContact O-ND2 2.78Å; N116-N258 PolarHBondContact ND2-ND2 3.5Å; N116-N258 WeakPolarHBondContact OD1-CB 3.42Å; N116-N258 VanDerWaalsContact OD1-CG 3.29Å; N116-N258 PolarHBondContact OD1-N 2.85Å; W172-N258 WeakPolarHBondContact CH2-O 3.47Å; W172-N258 HydrophobicContact CZ3-CB 4.18Å; M182-N258 HydrophobicContact SD-CB 3.94Å; N258-L260 PolarHBondContact O-N 3.36Å |
| 259 | G | 96.2 | Very high | 97.3 | Very high | 65 Ų | 65 | 44.3 Ų | 44.3 | 67% | 0.67 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y257 | Y257-G259 PolarHBondContact O-N 3.33Å; Y257-G259 VanDerWaalsContact O-N 3.12Å |
| 260 | L | 96.8 | Very high | 97.8 | Very high | 53 Ų | 53 | 46 Ų | 46 | 28% | 0.277 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -88.8 | 123.6 | 175.5 | -168.2 | 122.3 | 0 | 0 | 0 | 109.7 | K189 L256 Y257 N258 E264 A265 | K189-L260 HydrophobicContact CD-CD2 3.99Å; K189-L260 WeakPolarHBondContact CD-O 3.3Å; K189-L260 PolarHBondContact NZ-O 2.8Å; L256-L260 HydrophobicContact CD2-CD2 3.8Å; Y257-L260 WeakPolarHBondContact O-CB 3.38Å; Y257-L260 PolarHBondContact O-N 3.41Å; N258-L260 PolarHBondContact O-N 3.36Å; L260-E264 WeakPolarHBondContact CA-OE2 3.35Å; L260-E264 HydrophobicContact CD2-CB 4.38Å; L260-E264 HydrophobicContact CG-CB 4.02Å; L260-A265 HydrophobicContact CD2-CB 3.93Å |
| 261 | T | 96.9 | Very high | 98 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 37% | 0.368 | 24% | 0.236 | S | C | . | . | trans | -76.8 | 166 | -176.3 | 87.9 | 0 | 0 | 0 | 0 | 112.4 | E263 E264 A265 | T261-E263 VanDerWaalsContact C-N 3.29Å; T261-E263 WeakPolarHBondContact CB-OE2 3.42Å; T261-E263 PolarHBondContact OG1-N 2.78Å; T261-E263 PolarHBondContact OG1-OE2 2.88Å; T261-E264 PolarHBondContact N-OE2 3.22Å; T261-E264 PolarHBondContact O-N 3.44Å; T261-E264 PolarHBondContact OG1-N 2.65Å; T261-E264 VanDerWaalsContact OG1-N 3.15Å; T261-A265 PolarHBondContact O-N 3.01Å; T261-A265 VanDerWaalsContact O-N 3.12Å | ||
| 262 | V | 98.1 | Very high | 98.1 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | R185 A188 K189 E264 A265 H266 | R185-V262 HydrophobicContact CB-CG2 4.19Å; R185-V262 HydrophobicContact CG-CG2 4.12Å; A188-V262 HydrophobicContact CB-CG2 4.48Å; K189-V262 HydrophobicContact CG-CB 4.48Å; K189-V262 HydrophobicContact CG-CG2 4.08Å; V262-E264 PolarHBondContact O-N 3.28Å; V262-A265 WeakPolarHBondContact O-CB 3.42Å; V262-A265 PolarHBondContact O-N 2.78Å; V262-H266 PolarHBondContact O-CD2 2.75Å; V262-H266 PolarHBondContact O-N 2.93Å |
| 263 | E | 97.8 | Very high | 98.1 | Very high | 127 Ų | 127 | 49.3 Ų | 49.3 | 59% | 0.593 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.7 | -40.2 | 177.4 | -57.5 | 71.9 | -156.5 | 0 | 0 | 111.9 | T261 H266 R267 | T261-E263 VanDerWaalsContact C-N 3.29Å; T261-E263 WeakPolarHBondContact CB-OE2 3.42Å; T261-E263 PolarHBondContact OG1-N 2.78Å; T261-E263 PolarHBondContact OG1-OE2 2.88Å; E263-H266 WeakPolarHBondContact O-CB 3.1Å; E263-H266 PolarHBondContact O-N 3.26Å; E263-R267 PolarHBondContact O-N 3.15Å |
| 264 | E | 97.5 | Very high | 98.1 | Very high | 81 Ų | 81 | 50.2 Ų | 50.2 | 38% | 0.379 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 175.1 | -70.6 | 175.6 | 145.9 | 0 | 0 | 111.9 | L260 T261 V262 H266 R267 L268 | L260-E264 WeakPolarHBondContact CA-OE2 3.35Å; L260-E264 HydrophobicContact CD2-CB 4.38Å; L260-E264 HydrophobicContact CG-CB 4.02Å; T261-E264 PolarHBondContact N-OE2 3.22Å; T261-E264 PolarHBondContact O-N 3.44Å; T261-E264 PolarHBondContact OG1-N 2.65Å; T261-E264 VanDerWaalsContact OG1-N 3.15Å; V262-E264 PolarHBondContact O-N 3.28Å; E264-H266 VanDerWaalsContact C-N 3.3Å; E264-H266 PolarHBondContact O-N 2.95Å; E264-R267 WeakPolarHBondContact O-CB 3.19Å; E264-R267 PolarHBondContact O-N 2.89Å; E264-L268 PolarHBondContact O-N 3.29Å |
| 265 | A | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.033 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | K189 L256 L260 T261 V262 R267 L268 V269 | K189-A265 HydrophobicContact CB-CB 3.89Å; K189-A265 HydrophobicContact CD-CB 4.13Å; K189-A265 HydrophobicContact CG-CB 3.64Å; L256-A265 HydrophobicContact CD2-CB 4.49Å; L260-A265 HydrophobicContact CD2-CB 3.93Å; T261-A265 PolarHBondContact O-N 3.01Å; T261-A265 VanDerWaalsContact O-N 3.12Å; V262-A265 WeakPolarHBondContact O-CB 3.42Å; V262-A265 PolarHBondContact O-N 2.78Å; A265-R267 VanDerWaalsContact C-N 3.33Å; A265-R267 PolarHBondContact O-N 2.74Å; A265-L268 WeakPolarHBondContact O-CB 3.28Å; A265-L268 PolarHBondContact O-N 3.44Å; A265-V269 PolarHBondContact O-N 2.78Å |
| 266 | H | 98.2 | Very high | 98.1 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 38% | 0.384 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 174.9 | -84.6 | -70.5 | 0 | 0 | 0 | 113.2 | V262 E263 E264 L268 V269 E270 | V262-H266 PolarHBondContact O-CD2 2.75Å; V262-H266 PolarHBondContact O-N 2.93Å; E263-H266 WeakPolarHBondContact O-CB 3.1Å; E263-H266 PolarHBondContact O-N 3.26Å; E264-H266 VanDerWaalsContact C-N 3.3Å; E264-H266 PolarHBondContact O-N 2.95Å; H266-L268 VanDerWaalsContact C-N 3.29Å; H266-L268 PolarHBondContact O-N 3.08Å; H266-V269 WeakPolarHBondContact O-CB 3.41Å; H266-V269 PolarHBondContact O-N 2.64Å; H266-E270 WeakPolarHBondContact O-CG 3.12Å; H266-E270 PolarHBondContact O-N 2.92Å |
| 267 | R | 98.4 | Very high | 98 | Very high | 178 Ų | 178 | 57.5 Ų | 57.5 | 67% | 0.672 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.7 | -39.2 | 172.8 | -68.7 | 178.2 | -177.5 | 180 | 1.7 | 112 | E263 E264 A265 F271 | E263-R267 PolarHBondContact O-N 3.15Å; E264-R267 WeakPolarHBondContact O-CB 3.19Å; E264-R267 PolarHBondContact O-N 2.89Å; A265-R267 VanDerWaalsContact C-N 3.33Å; A265-R267 PolarHBondContact O-N 2.74Å; R267-F271 WeakPolarHBondContact O-CB 3.38Å; R267-F271 PolarHBondContact O-N 3.31Å |
| 268 | L | 98.7 | Very high | 97.9 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 173.7 | 175.3 | 61 | 0 | 0 | 0 | 111.7 | L193 F231 L240 L243 A254 E264 A265 H266 E270 F271 M272 | L193-L268 HydrophobicContact CD1-CD2 3.79Å; L193-L268 HydrophobicContact CD1-CG 3.97Å; L193-L268 HydrophobicContact CD2-CD2 4.39Å; F231-L268 HydrophobicContact CZ-CD1 4.45Å; L240-L268 HydrophobicContact CD1-CD1 4.14Å; L240-L268 HydrophobicContact CD2-CB 4.43Å; L243-L268 HydrophobicContact CD1-CD1 3.72Å; L243-L268 HydrophobicContact CD2-CD1 4.32Å; L243-L268 HydrophobicContact CD2-CD2 4Å; A254-L268 HydrophobicContact CB-CD2 3.63Å; E264-L268 PolarHBondContact O-N 3.29Å; A265-L268 WeakPolarHBondContact O-CB 3.28Å; A265-L268 PolarHBondContact O-N 3.44Å; H266-L268 VanDerWaalsContact C-N 3.29Å; H266-L268 PolarHBondContact O-N 3.08Å; L268-E270 PolarHBondContact O-N 2.79Å; L268-F271 HydrophobicContact CD1-CD1 4.27Å; L268-F271 PolarHBondContact O-N 3.02Å; L268-M272 HydrophobicContact CD1-CG 4.16Å; L268-M272 HydrophobicContact CD1-SD 4.27Å; L268-M272 HydrophobicContact CG-CG 4.47Å; L268-M272 HydrophobicContact CG-SD 4.1Å; L268-M272 WeakPolarHBondContact O-CG 3.27Å; L268-M272 PolarHBondContact O-N 2.73Å |
| 269 | V | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.9 | -47.8 | 176.5 | 157.5 | 0 | 0 | 0 | 0 | 111.6 | A192 L193 V196 A265 H266 M272 K273 | A192-V269 HydrophobicContact CB-CG2 4.06Å; L193-V269 HydrophobicContact CD1-CG2 4.15Å; V196-V269 HydrophobicContact CG2-CB 4.28Å; V196-V269 HydrophobicContact CG2-CG1 3.67Å; V196-V269 HydrophobicContact CG2-CG2 4.23Å; A265-V269 PolarHBondContact O-N 2.78Å; H266-V269 WeakPolarHBondContact O-CB 3.41Å; H266-V269 PolarHBondContact O-N 2.64Å; V269-M272 PolarHBondContact O-N 2.85Å; V269-K273 WeakPolarHBondContact O-CG 3.26Å; V269-K273 PolarHBondContact O-N 2.86Å; V269-K273 VanDerWaalsContact O-N 3.1Å |
| 270 | E | 98.6 | Very high | 97.6 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 177.9 | -65.5 | -50.1 | 123.6 | 0 | 0 | 111.7 | H266 L268 M272 K273 S274 | H266-E270 WeakPolarHBondContact O-CG 3.12Å; H266-E270 PolarHBondContact O-N 2.92Å; L268-E270 PolarHBondContact O-N 2.79Å; E270-M272 VanDerWaalsContact C-N 3.31Å; E270-M272 PolarHBondContact O-N 2.77Å; E270-K273 PolarHBondContact O-N 2.98Å; E270-K273 IonicContact OE1-NZ 2.93Å; E270-K273 PolarHBondContact OE1-NZ 2.78Å; E270-K273 IonicContact OE2-NZ 3.97Å; E270-S274 PolarHBondContact O-N 3.34Å; E270-S274 PolarHBondContact O-OG 2.73Å |
| 271 | F | 98.7 | Very high | 96.6 | Very high | 27 Ų | 27 | 71.9 Ų | 71.9 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 172.5 | 170.3 | -98.6 | 0 | 0 | 0 | 112.2 | F231 A235 V238 L240 R267 L268 K273 S274 F275 | F231-F271 HydrophobicContact CD1-CE1 4.23Å; F231-F271 AromaticContact CD2-CE1 3.9Å; F231-F271 HydrophobicContact CD2-CE1 3.9Å; F231-F271 HydrophobicContact CD2-CZ 4.49Å; F231-F271 AromaticContact CE1-CE1 3.86Å; F231-F271 HydrophobicContact CE1-CE1 3.86Å; F231-F271 HydrophobicContact CE2-CD1 4.09Å; F231-F271 AromaticContact CE2-CE1 3.5Å; F231-F271 HydrophobicContact CE2-CE1 3.5Å; F231-F271 VanDerWaalsContact CE2-CE1 3.5Å; F231-F271 HydrophobicContact CE2-CZ 4.47Å; F231-F271 HydrophobicContact CG-CE1 4.25Å; F231-F271 AromaticContact CZ-CD1 3.94Å; F231-F271 HydrophobicContact CZ-CD1 3.94Å; F231-F271 AromaticContact CZ-CE1 3.49Å; F231-F271 HydrophobicContact CZ-CE1 3.49Å; F231-F271 VanDerWaalsContact CZ-CE1 3.49Å; A235-F271 VanDerWaalsContact CA-CZ 3.43Å; A235-F271 HydrophobicContact CB-CD1 4.43Å; A235-F271 HydrophobicContact CB-CE1 3.68Å; A235-F271 HydrophobicContact CB-CE2 4.4Å; A235-F271 HydrophobicContact CB-CZ 3.68Å; A235-F271 VanDerWaalsContact N-CZ 3.26Å; V238-F271 HydrophobicContact CG2-CD2 3.82Å; V238-F271 HydrophobicContact CG2-CE2 4.17Å; L240-F271 HydrophobicContact CD1-CB 3.51Å; L240-F271 HydrophobicContact CD1-CD1 3.83Å; L240-F271 HydrophobicContact CD1-CD2 4.21Å; L240-F271 HydrophobicContact CD1-CG 3.57Å; R267-F271 WeakPolarHBondContact O-CB 3.38Å; R267-F271 PolarHBondContact O-N 3.31Å; L268-F271 HydrophobicContact CD1-CD1 4.27Å; L268-F271 PolarHBondContact O-N 3.02Å; F271-K273 PolarHBondContact O-N 3.24Å; F271-S274 PolarHBondContact O-N 2.68Å; F271-F275 HydrophobicContact CE1-CB 4.45Å; F271-F275 HydrophobicContact CE2-CD2 4.49Å; F271-F275 HydrophobicContact CZ-CB 4.34Å; F271-F275 AromaticContact CZ-CD2 3.93Å; F271-F275 HydrophobicContact CZ-CD2 3.93Å; F271-F275 HydrophobicContact CZ-CG 4.41Å; F271-F275 VanDerWaalsContact O-CB 3.24Å; F271-F275 WeakPolarHBondContact O-CB 3.18Å; F271-F275 PolarHBondContact O-N 2.78Å |
| 272 | M | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 179 | -76.3 | 174.5 | 68.7 | 0 | 0 | 112.3 | L193 V196 I197 Y204 F220 F231 L268 V269 E270 Q276 | L193-M272 HydrophobicContact CD1-CE 4.2Å; L193-M272 HydrophobicContact CD1-SD 3.27Å; L193-M272 WeakPolarHBondContact CD1-SD 3.38Å; L193-M272 HydrophobicContact CG-SD 4.38Å; V196-M272 HydrophobicContact CB-CE 4.46Å; V196-M272 HydrophobicContact CG1-CB 3.9Å; V196-M272 HydrophobicContact CG1-CE 3.99Å; I197-M272 HydrophobicContact CG1-CE 3.93Å; Y204-M272 HydrophobicContact CD1-CE 3.98Å; Y204-M272 HydrophobicContact CD2-CE 3.82Å; Y204-M272 HydrophobicContact CE1-CE 4.08Å; Y204-M272 HydrophobicContact CE2-CB 3.93Å; Y204-M272 HydrophobicContact CE2-CE 3.96Å; Y204-M272 WeakPolarHBondContact CE2-O 3.1Å; Y204-M272 HydrophobicContact CG-CE 3.85Å; Y204-M272 WeakPolarHBondContact OH-CA 2.77Å; Y204-M272 PolarHBondContact OH-O 2.88Å; F220-M272 HydrophobicContact CD2-CE 4.4Å; F220-M272 HydrophobicContact CE2-CE 4.04Å; F220-M272 HydrophobicContact CZ-CE 4.3Å; F220-M272 HydrophobicContact CZ-SD 4.33Å; F231-M272 HydrophobicContact CE2-CG 3.93Å; F231-M272 HydrophobicContact CZ-CG 3.88Å; L268-M272 HydrophobicContact CD1-CG 4.16Å; L268-M272 HydrophobicContact CD1-SD 4.27Å; L268-M272 HydrophobicContact CG-CG 4.47Å; L268-M272 HydrophobicContact CG-SD 4.1Å; L268-M272 WeakPolarHBondContact O-CG 3.27Å; L268-M272 PolarHBondContact O-N 2.73Å; V269-M272 PolarHBondContact O-N 2.85Å; E270-M272 VanDerWaalsContact C-N 3.31Å; E270-M272 PolarHBondContact O-N 2.77Å; M272-Q276 PolarHBondContact O-N 2.78Å |
| 273 | K | 98.4 | Very high | 96.5 | Very high | 84 Ų | 84 | 74.5 Ų | 74.5 | 37% | 0.365 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.7 | -52.4 | 175.4 | -67.8 | 170.9 | -175 | 168.6 | 0 | 111 | V196 V269 E270 F271 F275 Q276 E277 | V196-K273 HydrophobicContact CG1-CG 4.45Å; V196-K273 HydrophobicContact CG2-CG 4.3Å; V269-K273 WeakPolarHBondContact O-CG 3.26Å; V269-K273 PolarHBondContact O-N 2.86Å; V269-K273 VanDerWaalsContact O-N 3.1Å; E270-K273 PolarHBondContact O-N 2.98Å; E270-K273 IonicContact OE1-NZ 2.93Å; E270-K273 PolarHBondContact OE1-NZ 2.78Å; E270-K273 IonicContact OE2-NZ 3.97Å; F271-K273 PolarHBondContact O-N 3.24Å; K273-F275 VanDerWaalsContact C-N 3.3Å; K273-F275 PolarHBondContact O-N 3.07Å; K273-Q276 WeakPolarHBondContact O-CB 3.41Å; K273-Q276 PolarHBondContact O-N 2.97Å; K273-Q276 VanDerWaalsContact O-N 3.12Å; K273-E277 WeakPolarHBondContact O-CG 3.15Å; K273-E277 PolarHBondContact O-N 3.3Å |
| 274 | S | 98 | Very high | 96.4 | Very high | 62 Ų | 62 | 71.6 Ų | 71.6 | 43% | 0.434 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -37 | 179.1 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | E270 F271 Q276 E277 V278 | E270-S274 PolarHBondContact O-N 3.34Å; E270-S274 PolarHBondContact O-OG 2.73Å; F271-S274 PolarHBondContact O-N 2.68Å; S274-Q276 VanDerWaalsContact C-N 3.35Å; S274-E277 PolarHBondContact O-N 3.4Å; S274-V278 WeakPolarHBondContact O-CG2 3.36Å; S274-V278 PolarHBondContact O-N 3.48Å |
| 275 | F | 98.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.5 | -172.7 | -86.1 | 0 | 0 | 0 | 111.2 | F203 L222 L227 T230 F231 F271 K273 V278 H279 | F203-F275 AromaticContact CE1-CD1 3.83Å; F203-F275 HydrophobicContact CE1-CD1 3.83Å; F203-F275 HydrophobicContact CE1-CE1 4.14Å; F203-F275 AromaticContact CZ-CD1 3.8Å; F203-F275 HydrophobicContact CZ-CD1 3.8Å; F203-F275 AromaticContact CZ-CE1 3.83Å; F203-F275 HydrophobicContact CZ-CE1 3.83Å; L222-F275 HydrophobicContact CD2-CD1 4.31Å; L222-F275 HydrophobicContact CD2-CE1 3.62Å; L222-F275 HydrophobicContact CD2-CZ 4.49Å; L227-F275 HydrophobicContact CD1-CE1 4.1Å; L227-F275 HydrophobicContact CD1-CZ 4.03Å; L227-F275 HydrophobicContact CG-CE1 4.28Å; L227-F275 HydrophobicContact CG-CZ 4.49Å; T230-F275 HydrophobicContact CG2-CE2 4.15Å; T230-F275 HydrophobicContact CG2-CZ 4.16Å; F231-F275 VanDerWaalsContact CA-CE2 3.44Å; F231-F275 HydrophobicContact CB-CE1 4.05Å; F231-F275 HydrophobicContact CB-CE2 4.05Å; F231-F275 HydrophobicContact CB-CZ 3.71Å; F231-F275 AromaticContact CD2-CD1 3.68Å; F231-F275 HydrophobicContact CD2-CD1 3.68Å; F231-F275 HydrophobicContact CD2-CD2 4.21Å; F231-F275 AromaticContact CD2-CE1 3.85Å; F231-F275 HydrophobicContact CD2-CE1 3.85Å; F231-F275 HydrophobicContact CD2-CE2 4.37Å; F231-F275 AromaticContact CD2-CG 3.86Å; F231-F275 HydrophobicContact CD2-CG 3.86Å; F231-F275 HydrophobicContact CD2-CZ 4.2Å; F231-F275 HydrophobicContact CE2-CD1 4.4Å; F231-F275 HydrophobicContact CE2-CG 4.43Å; F231-F275 HydrophobicContact CG-CE1 4.46Å; F231-F275 HydrophobicContact CG-CZ 4.43Å; F271-F275 HydrophobicContact CE1-CB 4.45Å; F271-F275 HydrophobicContact CE2-CD2 4.49Å; F271-F275 HydrophobicContact CZ-CB 4.34Å; F271-F275 AromaticContact CZ-CD2 3.93Å; F271-F275 HydrophobicContact CZ-CD2 3.93Å; F271-F275 HydrophobicContact CZ-CG 4.41Å; F271-F275 VanDerWaalsContact O-CB 3.24Å; F271-F275 WeakPolarHBondContact O-CB 3.18Å; F271-F275 PolarHBondContact O-N 2.78Å; K273-F275 VanDerWaalsContact C-N 3.3Å; K273-F275 PolarHBondContact O-N 3.07Å; F275-V278 PolarHBondContact O-N 3.41Å; F275-H279 AromaticContact CD1-CD2 3.89Å; F275-H279 AromaticContact CD2-CD2 3.69Å; F275-H279 AromaticContact CD2-NE2 4Å; F275-H279 HydrophobicContact CE1-CB 4.24Å; F275-H279 AromaticContact CE1-CD2 3.68Å; F275-H279 AromaticContact CE2-CD2 3.45Å; F275-H279 VanDerWaalsContact CE2-CD2 3.45Å; F275-H279 WeakPolarHBondContact CE2-CD2 3.45Å; F275-H279 AromaticContact CE2-NE2 3.52Å; F275-H279 AromaticContact CG-CD2 3.9Å; F275-H279 AromaticContact CZ-CD2 3.45Å; F275-H279 VanDerWaalsContact CZ-CD2 3.45Å; F275-H279 WeakPolarHBondContact CZ-CD2 3.45Å; F275-H279 AromaticContact CZ-NE2 3.8Å; F275-H279 WeakPolarHBondContact O-CB 3.44Å; F275-H279 PolarHBondContact O-CD2 3.05Å; F275-H279 PolarHBondContact O-N 3.18Å |
| 276 | Q | 98 | Very high | 96.3 | Very high | 34 Ų | 34 | 75.2 Ų | 75.2 | 16% | 0.159 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 175.3 | -178.5 | 173.3 | 2.5 | 0 | 0 | 111.6 | S200 F203 Y204 M272 K273 S274 V278 H279 D280 | S200-Q276 PolarHBondContact O-NE2 3.2Å; F203-Q276 HydrophobicContact CB-CG 4.07Å; F203-Q276 HydrophobicContact CD1-CB 3.85Å; F203-Q276 HydrophobicContact CD1-CG 3.77Å; F203-Q276 HydrophobicContact CD2-CG 4.1Å; F203-Q276 HydrophobicContact CE1-CB 3.93Å; F203-Q276 HydrophobicContact CE1-CG 4.22Å; F203-Q276 HydrophobicContact CG-CB 4.31Å; F203-Q276 HydrophobicContact CG-CG 3.71Å; F203-Q276 HydrophobicContact CZ-CB 4.41Å; Y204-Q276 HydrophobicContact CE2-CB 4.15Å; M272-Q276 PolarHBondContact O-N 2.78Å; K273-Q276 WeakPolarHBondContact O-CB 3.41Å; K273-Q276 PolarHBondContact O-N 2.97Å; K273-Q276 VanDerWaalsContact O-N 3.12Å; S274-Q276 VanDerWaalsContact C-N 3.35Å; Q276-V278 PolarHBondContact O-N 2.68Å; Q276-V278 VanDerWaalsContact O-N 3.14Å; Q276-H279 PolarHBondContact O-N 3.29Å; Q276-H279 VanDerWaalsContact O-N 3.07Å; Q276-D280 HydrophobicContact CG-CB 3.75Å; Q276-D280 PolarHBondContact NE2-OD2 3.23Å; Q276-D280 WeakPolarHBondContact O-CB 3.36Å; Q276-D280 PolarHBondContact O-N 2.75Å |
| 277 | E | 96.9 | Very high | 96.1 | Very high | 151 Ų | 151 | 74.7 Ų | 74.7 | 71% | 0.706 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -54.6 | -35.5 | 179.3 | -71.6 | 172.4 | 175 | 0 | 0 | 113.2 | K273 S274 | K273-E277 WeakPolarHBondContact O-CG 3.15Å; K273-E277 PolarHBondContact O-N 3.3Å; S274-E277 PolarHBondContact O-N 3.4Å |
| 278 | V | 96.8 | Very high | 96 | Very high | 91 Ų | 91 | 67.3 Ų | 67.3 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -79.8 | -33.1 | -179.7 | 175 | 0 | 0 | 0 | 0 | 112.4 | S274 F275 Q276 | S274-V278 WeakPolarHBondContact O-CG2 3.36Å; S274-V278 PolarHBondContact O-N 3.48Å; F275-V278 PolarHBondContact O-N 3.41Å; Q276-V278 PolarHBondContact O-N 2.68Å; Q276-V278 VanDerWaalsContact O-N 3.14Å |
| 279 | H | 96.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 71.8 Ų | 71.8 | 32% | 0.319 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -113.5 | -7.3 | -165.4 | -68.8 | -71 | 0 | 0 | 0 | 115.3 | F203 L227 F275 Q276 K281 | F203-H279 HydrophobicContact CE2-CB 4.04Å; F203-H279 HydrophobicContact CZ-CB 3.89Å; L227-H279 HydrophobicContact CD1-CB 4.09Å; F275-H279 AromaticContact CD1-CD2 3.89Å; F275-H279 AromaticContact CD2-CD2 3.69Å; F275-H279 AromaticContact CD2-NE2 4Å; F275-H279 HydrophobicContact CE1-CB 4.24Å; F275-H279 AromaticContact CE1-CD2 3.68Å; F275-H279 AromaticContact CE2-CD2 3.45Å; F275-H279 VanDerWaalsContact CE2-CD2 3.45Å; F275-H279 WeakPolarHBondContact CE2-CD2 3.45Å; F275-H279 AromaticContact CE2-NE2 3.52Å; F275-H279 AromaticContact CG-CD2 3.9Å; F275-H279 AromaticContact CZ-CD2 3.45Å; F275-H279 VanDerWaalsContact CZ-CD2 3.45Å; F275-H279 WeakPolarHBondContact CZ-CD2 3.45Å; F275-H279 AromaticContact CZ-NE2 3.8Å; F275-H279 WeakPolarHBondContact O-CB 3.44Å; F275-H279 PolarHBondContact O-CD2 3.05Å; F275-H279 PolarHBondContact O-N 3.18Å; Q276-H279 PolarHBondContact O-N 3.29Å; Q276-H279 VanDerWaalsContact O-N 3.07Å; H279-K281 PolarHBondContact O-N 2.92Å |
| 280 | D | 90.4 | Very high | 95.5 | Very high | 61 Ų | 61 | 77.3 Ų | 77.3 | 33% | 0.326 | 38% | 0.377 | S | S | . | . | trans | -95.7 | 71.9 | 177.9 | -155.4 | 20.1 | 0 | 0 | 0 | 111 | F203 K223 Q276 | F203-D280 HydrophobicContact CD2-CB 3.63Å; F203-D280 HydrophobicContact CE2-CB 3.91Å; F203-D280 HydrophobicContact CG-CB 4.44Å; K223-D280 IonicContact NZ-OD1 2.65Å; K223-D280 PolarHBondContact NZ-OD1 2.83Å; Q276-D280 HydrophobicContact CG-CB 3.75Å; Q276-D280 PolarHBondContact NE2-OD2 3.23Å; Q276-D280 WeakPolarHBondContact O-CB 3.36Å; Q276-D280 PolarHBondContact O-N 2.75Å | ||
| 281 | K | 76.8 | Confident | 95.2 | Very high | 248 Ų | 248 | 75.9 Ų | 75.9 | 100% | 1.078 | 37% | 0.372 | S | S | * | . | trans | -104.8 | 0 | 174.3 | -64 | -175.6 | -176.5 | -180 | 0 | 111.7 | H279 | H279-K281 PolarHBondContact O-N 2.92Š|
Retrieved 281 of 281 residues in 139.8 ms
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