| 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 | 91.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 10.2 Ų | 10.2 | 6% | 0.064 | 5% | 0.046 | C | C | . | . | 0 | 136.4 | 0 | -172.5 | 166.3 | 75.4 | 0 | 0 | 111.5 | I3 D32 L33 Y116 K117 V119 I269 D271 | M1-I3 HydrophobicContact CE-CD1 3.31Å; M1-I3 HydrophobicContact CE-CG1 3.58Å; M1-I3 HydrophobicContact CG-CG1 4.17Å; M1-D32 WeakPolarHBondContact CA-OD2 3.45Å; M1-D32 HydrophobicContact CG-CB 3.42Å; M1-D32 VanDerWaalsContact CG-CB 3.42Å; M1-D32 VanDerWaalsContact CG-OD2 3.28Å; M1-D32 WeakPolarHBondContact CG-OD2 3.35Å; M1-D32 HydrophobicContact SD-CB 3.93Å; M1-L33 HydrophobicContact CE-CD2 4.47Å; M1-Y116 HydrophobicContact CE-CD1 3.95Å; M1-Y116 HydrophobicContact CE-CE1 4.35Å; M1-Y116 HydrophobicContact SD-CD1 3.61Å; M1-Y116 HydrophobicContact SD-CE1 3.49Å; M1-Y116 WeakPolarHBondContact SD-CE1 3.2Å; M1-K117 HydrophobicContact SD-CB 3.96Å; M1-K117 HydrophobicContact SD-CD 3.76Å; M1-K117 HydrophobicContact SD-CG 4.12Å; M1-V119 HydrophobicContact CE-CB 4.41Å; M1-V119 HydrophobicContact CE-CG2 3.93Å; M1-I269 WeakPolarHBondContact CB-O 3.11Å; M1-I269 PolarHBondContact N-O 3.24Å; M1-I269 PolarHBondContact O-N 3.37Å; M1-I269 VanDerWaalsContact O-O 3.07Å; M1-D271 HydrophobicContact CB-CB 4.31Å; M1-D271 PolarHBondContact N-OD2 3.45Å | |||
| 2 | K | 95.6 | Very high | 94.8 | Very high | 62 Ų | 62 | 12 Ų | 12 | 27% | 0.27 | 6% | 0.055 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.4 | 171.9 | -58.9 | -62.9 | -172.8 | -177.7 | 0 | 109.7 | K30 D32 I266 D268 | K2-K30 VanDerWaalsContact CB-O 3.3Å; K2-K30 WeakPolarHBondContact CB-O 3.27Å; K2-K30 WeakPolarHBondContact CG-O 3.37Å; K2-D32 PolarHBondContact N-OD2 3.22Å; K2-D32 PolarHBondContact O-N 3.2Å; K2-I266 HydrophobicContact CB-CG2 4.2Å; K2-D268 HydrophobicContact CD-CB 4.45Å; K2-D268 IonicContact NZ-OD2 3.58Å; K2-D268 PolarHBondContact NZ-OD2 3.08Å |
| 3 | I | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.2 | 179.4 | -53.6 | -178 | 0 | 0 | 0 | 108.8 | M1 V5 L33 L35 I171 I266 V267 I269 | M1-I3 HydrophobicContact CE-CD1 3.31Å; M1-I3 HydrophobicContact CE-CG1 3.58Å; M1-I3 HydrophobicContact CG-CG1 4.17Å; I3-V5 HydrophobicContact CG2-CG2 4.45Å; I3-L33 CarbonylContact C-O 3.59Å; I3-L33 WeakPolarHBondContact CA-O 3.37Å; I3-L33 HydrophobicContact CD1-CD2 4.23Å; I3-L33 HydrophobicContact CG1-CB 4.35Å; I3-L33 HydrophobicContact CG1-CD2 4.5Å; I3-L33 HydrophobicContact CG2-CB 4.26Å; I3-L33 HydrophobicContact CG2-CD2 4.24Å; I3-L33 HydrophobicContact CG2-CG 4.38Å; I3-L35 HydrophobicContact CG2-CD1 3.82Å; I3-L35 HydrophobicContact CG2-CG 3.74Å; I3-I171 HydrophobicContact CD1-CD1 3.53Å; I3-I266 CarbonylContact O-C 3.59Å; I3-I266 WeakPolarHBondContact O-CA 3.34Å; I3-V267 HydrophobicContact CB-CG2 3.87Å; I3-V267 PolarHBondContact N-O 3.37Å; I3-V267 WeakPolarHBondContact O-CG2 3.48Å; I3-V267 PolarHBondContact O-N 2.67Å; I3-I269 HydrophobicContact CD1-CB 4.24Å; I3-I269 HydrophobicContact CD1-CD1 3.74Å; I3-I269 HydrophobicContact CD1-CG1 4.21Å |
| 4 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | I20 V31 L33 L34 L35 L264 I266 | A4-I20 HydrophobicContact CB-CD1 4.05Å; A4-I20 HydrophobicContact CB-CG1 4.24Å; A4-V31 HydrophobicContact CB-CG1 3.76Å; A4-L33 PolarHBondContact N-O 3.33Å; A4-L34 HydrophobicContact CB-CD1 3.84Å; A4-L34 CarbonylContact O-C 3.55Å; A4-L34 WeakPolarHBondContact O-CA 3.35Å; A4-L35 PolarHBondContact O-N 2.91Å; A4-L264 HydrophobicContact CB-CD1 4.21Å; A4-I266 HydrophobicContact CB-CG1 4.4Å |
| 5 | V | 98.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.9 | 173.7 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | I3 F224 L254 L264 Q265 V267 | I3-V5 HydrophobicContact CG2-CG2 4.45Å; V5-F224 HydrophobicContact CG1-CB 3.89Å; V5-F224 HydrophobicContact CG1-CD1 4.03Å; V5-F224 HydrophobicContact CG1-CD2 4.04Å; V5-F224 HydrophobicContact CG1-CG 3.72Å; V5-F224 HydrophobicContact CG2-CD1 4.3Å; V5-F224 HydrophobicContact CG2-CD2 3.9Å; V5-F224 HydrophobicContact CG2-CE1 4.09Å; V5-F224 HydrophobicContact CG2-CE2 3.67Å; V5-F224 HydrophobicContact CG2-CG 4.23Å; V5-F224 HydrophobicContact CG2-CZ 3.78Å; V5-L254 HydrophobicContact CB-CD1 4.08Å; V5-L254 HydrophobicContact CG1-CD1 4.01Å; V5-L254 WeakPolarHBondContact O-CD1 3.14Å; V5-L264 CarbonylContact O-C 3.51Å; V5-L264 WeakPolarHBondContact O-CA 2.98Å; V5-Q265 PolarHBondContact N-O 2.59Å; V5-Q265 PolarHBondContact O-N 3.13Å; V5-V267 HydrophobicContact CG2-CG1 4.03Å; V5-V267 HydrophobicContact CG2-CG2 3.92Å |
| 6 | E | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.5 | -178.6 | -171.3 | -80 | 140.7 | 0 | 0 | 110.1 | C8 C9 I16 L34 L35 C36 C37 F263 L264 | E6-C8 PolarHBondContact OE1-N 3.37Å; E6-C8 VanDerWaalsContact OE1-O 3.11Å; E6-C9 VanDerWaalsContact OE1-CA 3.28Å; E6-C9 WeakPolarHBondContact OE1-CA 3.49Å; E6-C9 PolarHBondContact OE1-N 3.23Å; E6-I16 HydrophobicContact CG-CD1 3.87Å; E6-I16 HydrophobicContact CG-CG1 4.22Å; E6-I16 HydrophobicContact CG-CG2 4.36Å; E6-L34 HydrophobicContact CB-CD1 3.91Å; E6-L35 PolarHBondContact N-O 3.11Å; E6-C36 WeakPolarHBondContact OE2-CB 3.26Å; E6-C36 PolarHBondContact OE2-SG 3Å; E6-C37 WeakPolarHBondContact O-CB 3.22Å; E6-C37 PolarHBondContact O-N 2.89Å; E6-C37 PolarHBondContact O-SG 2.88Å; E6-C37 VanDerWaalsContact O-SG 3.35Å; E6-F263 WeakPolarHBondContact CA-O 3.37Å; E6-L264 HydrophobicContact CB-CD1 3.94Å; E6-L264 HydrophobicContact CG-CD1 4.29Å |
| 7 | G | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -76 | -105.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C37 A226 D255 F263 | G7-C37 PolarHBondContact O-N 2.89Å; G7-A226 VanDerWaalsContact O-CB 3.31Å; G7-A226 WeakPolarHBondContact O-CB 3.35Å; G7-D255 WeakPolarHBondContact CA-O 3.11Å; G7-F263 PolarHBondContact N-O 3.12Å |
| 8 | C | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -105.3 | 116.3 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | E6 D39 H175 H227 D255 K256 C257 | E6-C8 PolarHBondContact OE1-N 3.37Å; E6-C8 VanDerWaalsContact OE1-O 3.11Å; C8-D39 HydrophobicContact CB-CB 4.04Å; C8-H175 VanDerWaalsContact SG-CE1 3.58Å; C8-H227 PolarHBondContact SG-N 3.36Å; C8-D255 PolarHBondContact N-O 2.72Å; C8-K256 HydrophobicContact CB-CB 3.89Å; C8-K256 WeakPolarHBondContact O-CA 3.21Å; C8-C257 PolarHBondContact O-N 3.38Å; C8-C257 VanDerWaalsContact O-N 3.14Å |
| 9 | C | 92.4 | Very high | 95 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -74.8 | -41.4 | -172.2 | 172 | 0 | 0 | 0 | 0 | 113.3 | E6 G11 E12 I16 G38 | E6-C9 VanDerWaalsContact OE1-CA 3.28Å; E6-C9 WeakPolarHBondContact OE1-CA 3.49Å; E6-C9 PolarHBondContact OE1-N 3.23Å; C9-G11 PolarHBondContact O-N 2.93Å; C9-G11 VanDerWaalsContact O-N 3.15Å; C9-E12 WeakPolarHBondContact O-CB 3.34Å; C9-E12 PolarHBondContact O-N 3.09Å; C9-E12 VanDerWaalsContact O-N 3.09Å; C9-I16 HydrophobicContact CB-CD1 3.97Å; C9-I16 WeakPolarHBondContact SG-CD1 3.4Å; C9-G38 PolarHBondContact N-O 2.74Å | ||
| 10 | H | 91.4 | Very high | 95.1 | Very high | 36 Ų | 36 | 22.1 Ų | 22.1 | 17% | 0.167 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 33.8 | -174.1 | -67.9 | -78.6 | 0 | 0 | 0 | 114.8 | E12 D39 Q41 Q62 H86 H229 | H10-E12 VanDerWaalsContact C-N 3.3Å; H10-E12 PolarHBondContact O-N 3.3Å; H10-D39 WeakPolarHBondContact CA-O 3.27Å; H10-D39 IonicContact CE1-OD2 2.86Å; H10-D39 PolarHBondContact CE1-OD2 3.18Å; H10-D39 VanDerWaalsContact CE1-OD2 3.3Å; H10-D39 PolarHBondContact N-O 2.63Å; H10-D39 IonicContact NE2-OD2 3.8Å; H10-Q41 PolarHBondContact ND1-OE1 2.73Å; H10-Q41 PolarHBondContact O-NE2 3.13Å; H10-Q62 PolarHBondContact O-NE2 3.5Å; H10-H86 AromaticContact CE1-ND1 3.43Å; H10-H86 PolarHBondContact CE1-ND1 3.44Å; H10-H229 AromaticContact NE2-NE2 3.63Å |
| 11 | G | 90.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 9.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C9 L13 F40 T63 | C9-G11 PolarHBondContact O-N 2.93Å; C9-G11 VanDerWaalsContact O-N 3.15Å; G11-L13 PolarHBondContact O-N 3.33Å; G11-L13 VanDerWaalsContact O-N 3.09Å; G11-F40 PolarHBondContact N-O 2.71Å; G11-T63 PolarHBondContact O-OG1 3.31Å |
| 12 | E | 93.2 | Very high | 95.5 | Very high | 32 Ų | 32 | 31.5 Ų | 31.5 | 15% | 0.15 | 14% | 0.143 | C | C | . | . | trans | -84.8 | 39.6 | -178.5 | -66 | -73.1 | -172.1 | 0 | 0 | 113.1 | C9 H10 D14 K15 I16 C257 | C9-E12 WeakPolarHBondContact O-CB 3.34Å; C9-E12 PolarHBondContact O-N 3.09Å; C9-E12 VanDerWaalsContact O-N 3.09Å; H10-E12 VanDerWaalsContact C-N 3.3Å; H10-E12 PolarHBondContact O-N 3.3Å; E12-D14 PolarHBondContact O-N 3.41Å; E12-K15 HydrophobicContact CB-CD 4.41Å; E12-K15 PolarHBondContact O-N 2.81Å; E12-K15 IonicContact OE1-NZ 2.67Å; E12-K15 PolarHBondContact OE1-NZ 2.7Å; E12-K15 WeakPolarHBondContact OE2-CD 3.48Å; E12-K15 WeakPolarHBondContact OE2-CE 3.4Å; E12-K15 IonicContact OE2-NZ 3.73Å; E12-K15 PolarHBondContact OE2-NZ 3.48Å; E12-I16 WeakPolarHBondContact O-CG1 3.44Å; E12-I16 PolarHBondContact O-N 3.17Å; E12-I16 VanDerWaalsContact O-N 3.12Å; E12-C257 HydrophobicContact CB-CB 4.12Å | ||
| 13 | L | 94.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | -172.8 | -73.2 | 172.3 | 0 | 0 | 0 | 113.8 | G11 K15 I16 Y17 F40 F64 Y68 I105 | G11-L13 PolarHBondContact O-N 3.33Å; G11-L13 VanDerWaalsContact O-N 3.09Å; L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 3.11Å; L13-I16 PolarHBondContact O-N 3.49Å; L13-Y17 HydrophobicContact CB-CD2 4.37Å; L13-Y17 HydrophobicContact CB-CE2 4.04Å; L13-Y17 HydrophobicContact CD2-CE2 4.26Å; L13-Y17 WeakPolarHBondContact O-CD2 3.48Å; L13-Y17 PolarHBondContact O-N 3.4Å; L13-F40 HydrophobicContact CD1-CE1 3.97Å; L13-F40 HydrophobicContact CD1-CE2 4.46Å; L13-F40 HydrophobicContact CD1-CZ 3.67Å; L13-F40 HydrophobicContact CD2-CD2 4.45Å; L13-F40 HydrophobicContact CD2-CE2 3.57Å; L13-F40 HydrophobicContact CD2-CZ 3.6Å; L13-F40 HydrophobicContact CG-CZ 4.19Å; L13-F64 HydrophobicContact CD1-CB 4.34Å; L13-F64 HydrophobicContact CD1-CD2 3.67Å; L13-F64 HydrophobicContact CD1-CG 4.49Å; L13-Y68 HydrophobicContact CB-CD2 4.33Å; L13-Y68 HydrophobicContact CB-CE2 3.56Å; L13-Y68 HydrophobicContact CD1-CD2 3.71Å; L13-Y68 HydrophobicContact CD1-CE2 3.81Å; L13-Y68 HydrophobicContact CG-CE2 4.35Å; L13-I105 HydrophobicContact CD1-CD1 4.49Å |
| 14 | D | 94.2 | Very high | 95.5 | Very high | 26 Ų | 26 | 30.5 Ų | 30.5 | 14% | 0.139 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.8 | -45.3 | 178.7 | -78.6 | -40.9 | 0 | 0 | 0 | 110.6 | E12 I16 Y17 E18 T63 S67 Y68 K73 | E12-D14 PolarHBondContact O-N 3.41Å; D14-I16 PolarHBondContact O-N 2.98Å; D14-Y17 PolarHBondContact O-N 3.41Å; D14-E18 WeakPolarHBondContact O-CB 3.47Å; D14-E18 WeakPolarHBondContact O-CG 3.49Å; D14-E18 PolarHBondContact O-N 3.21Å; D14-T63 WeakPolarHBondContact OD2-CB 3.41Å; D14-T63 WeakPolarHBondContact OD2-CG2 3.5Å; D14-S67 PolarHBondContact OD2-OG 3.02Å; D14-S67 VanDerWaalsContact OD2-OG 3.1Å; D14-Y68 PolarHBondContact OD1-OH 2.87Å; D14-K73 IonicContact OD1-NZ 2.75Å; D14-K73 PolarHBondContact OD1-NZ 2.87Å; D14-K73 IonicContact OD2-NZ 3.55Å |
| 15 | K | 94.2 | Very high | 95.4 | Very high | 100 Ų | 100 | 37.1 Ų | 37.1 | 44% | 0.435 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 177.7 | -64.4 | -178.9 | -175.3 | 146.8 | 0 | 112.5 | E12 L13 T19 | E12-K15 HydrophobicContact CB-CD 4.41Å; E12-K15 PolarHBondContact O-N 2.81Å; E12-K15 IonicContact OE1-NZ 2.67Å; E12-K15 PolarHBondContact OE1-NZ 2.7Å; E12-K15 WeakPolarHBondContact OE2-CD 3.48Å; E12-K15 WeakPolarHBondContact OE2-CE 3.4Å; E12-K15 IonicContact OE2-NZ 3.73Å; E12-K15 PolarHBondContact OE2-NZ 3.48Å; L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 3.11Å; K15-T19 WeakPolarHBondContact O-CB 3.33Å; K15-T19 PolarHBondContact O-N 3.19Å; K15-T19 PolarHBondContact O-OG1 2.83Å |
| 16 | I | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -48.7 | 177.3 | -68.4 | 160.6 | 0 | 0 | 0 | 109.9 | E6 C9 E12 L13 D14 T19 I20 L34 C257 F263 L264 | E6-I16 HydrophobicContact CG-CD1 3.87Å; E6-I16 HydrophobicContact CG-CG1 4.22Å; E6-I16 HydrophobicContact CG-CG2 4.36Å; C9-I16 HydrophobicContact CB-CD1 3.97Å; C9-I16 WeakPolarHBondContact SG-CD1 3.4Å; E12-I16 WeakPolarHBondContact O-CG1 3.44Å; E12-I16 PolarHBondContact O-N 3.17Å; E12-I16 VanDerWaalsContact O-N 3.12Å; L13-I16 PolarHBondContact O-N 3.49Å; D14-I16 PolarHBondContact O-N 2.98Å; I16-T19 WeakPolarHBondContact O-CB 3.32Å; I16-T19 PolarHBondContact O-N 3.31Å; I16-I20 HydrophobicContact CG2-CD1 4.04Å; I16-I20 WeakPolarHBondContact O-CG1 3.49Å; I16-I20 PolarHBondContact O-N 3.4Å; I16-L34 HydrophobicContact CG2-CD1 4.42Å; I16-L34 HydrophobicContact CG2-CD2 3.79Å; I16-C257 HydrophobicContact CD1-CB 4.44Å; I16-C257 HydrophobicContact CG1-CB 4.31Å; I16-F263 HydrophobicContact CG1-CE2 4.21Å; I16-L264 HydrophobicContact CG2-CD1 4.3Å |
| 17 | Y | 97.1 | Very high | 95.1 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.9 | -39.1 | 179.4 | -65.8 | -57.4 | 0 | 0 | 0 | 112.9 | L13 D14 T19 I20 E21 L34 Y68 A75 P76 T79 | L13-Y17 HydrophobicContact CB-CD2 4.37Å; L13-Y17 HydrophobicContact CB-CE2 4.04Å; L13-Y17 HydrophobicContact CD2-CE2 4.26Å; L13-Y17 WeakPolarHBondContact O-CD2 3.48Å; L13-Y17 PolarHBondContact O-N 3.4Å; D14-Y17 PolarHBondContact O-N 3.41Å; Y17-T19 VanDerWaalsContact C-N 3.28Å; Y17-T19 PolarHBondContact O-N 2.94Å; Y17-I20 HydrophobicContact CD1-CD1 4.39Å; Y17-I20 PolarHBondContact O-N 3.18Å; Y17-E21 WeakPolarHBondContact O-CB 3.28Å; Y17-E21 PolarHBondContact O-N 2.82Å; Y17-L34 HydrophobicContact CD1-CD2 4.35Å; Y17-L34 HydrophobicContact CE1-CD2 3.75Å; Y17-Y68 HydrophobicContact CD2-CE1 4.27Å; Y17-Y68 AromaticContact CD2-CZ 3.79Å; Y17-Y68 WeakPolarHBondContact CD2-OH 3.41Å; Y17-Y68 AromaticContact CE2-CE1 3.82Å; Y17-Y68 HydrophobicContact CE2-CE1 3.82Å; Y17-Y68 HydrophobicContact CE2-CE2 4.25Å; Y17-Y68 AromaticContact CE2-CZ 3.53Å; Y17-Y68 VanDerWaalsContact CE2-OH 3.32Å; Y17-Y68 WeakPolarHBondContact CE2-OH 3.34Å; Y17-A75 HydrophobicContact CE1-CB 4.28Å; Y17-A75 HydrophobicContact CE2-CB 4.22Å; Y17-A75 VanDerWaalsContact OH-CB 3.3Å; Y17-A75 WeakPolarHBondContact OH-CB 3.49Å; Y17-P76 HydrophobicContact CD1-CG 3.64Å; Y17-P76 HydrophobicContact CD2-CG 4.47Å; Y17-P76 HydrophobicContact CE1-CG 4.32Å; Y17-P76 HydrophobicContact CG-CG 3.73Å; Y17-T79 WeakPolarHBondContact CE1-OG1 3.41Å; Y17-T79 PolarHBondContact OH-OG1 2.89Å |
| 18 | E | 96 | Very high | 95.1 | Very high | 117 Ų | 117 | 50.4 Ų | 50.4 | 55% | 0.547 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 172.6 | -75.1 | 169.1 | -172.1 | 0 | 0 | 111.4 | D14 E21 Y22 | D14-E18 WeakPolarHBondContact O-CB 3.47Å; D14-E18 WeakPolarHBondContact O-CG 3.49Å; D14-E18 PolarHBondContact O-N 3.21Å; E18-E21 PolarHBondContact O-N 3.26Å; E18-Y22 WeakPolarHBondContact O-CB 3.35Å; E18-Y22 PolarHBondContact O-N 3.47Å |
| 19 | T | 96.2 | Very high | 95.1 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | K15 I16 Y17 Y22 L23 F263 L264 | K15-T19 WeakPolarHBondContact O-CB 3.33Å; K15-T19 PolarHBondContact O-N 3.19Å; K15-T19 PolarHBondContact O-OG1 2.83Å; I16-T19 WeakPolarHBondContact O-CB 3.32Å; I16-T19 PolarHBondContact O-N 3.31Å; Y17-T19 VanDerWaalsContact C-N 3.28Å; Y17-T19 PolarHBondContact O-N 2.94Å; T19-Y22 PolarHBondContact O-N 3.2Å; T19-L23 HydrophobicContact CG2-CD1 4.31Å; T19-L23 VanDerWaalsContact O-CG 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.28Å; T19-L23 PolarHBondContact O-N 3.31Å; T19-F263 HydrophobicContact CG2-CZ 4.14Å; T19-L264 HydrophobicContact CG2-CD2 3.72Å |
| 20 | I | 97.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 175.6 | -69.3 | 166.2 | 0 | 0 | 0 | 110.3 | A4 I16 Y17 Y22 L23 E24 V31 L34 V77 L264 | A4-I20 HydrophobicContact CB-CD1 4.05Å; A4-I20 HydrophobicContact CB-CG1 4.24Å; I16-I20 HydrophobicContact CG2-CD1 4.04Å; I16-I20 WeakPolarHBondContact O-CG1 3.49Å; I16-I20 PolarHBondContact O-N 3.4Å; Y17-I20 HydrophobicContact CD1-CD1 4.39Å; Y17-I20 PolarHBondContact O-N 3.18Å; I20-Y22 VanDerWaalsContact C-N 3.31Å; I20-Y22 PolarHBondContact O-N 2.96Å; I20-L23 PolarHBondContact O-N 3.04Å; I20-L23 VanDerWaalsContact O-N 3.13Å; I20-E24 HydrophobicContact CG2-CG 4.26Å; I20-E24 WeakPolarHBondContact O-CG 3.45Å; I20-E24 PolarHBondContact O-N 3.1Å; I20-V31 HydrophobicContact CG2-CB 3.96Å; I20-V31 HydrophobicContact CG2-CG1 4.33Å; I20-V31 HydrophobicContact CG2-CG2 3.86Å; I20-L34 HydrophobicContact CD1-CB 4.45Å; I20-L34 HydrophobicContact CD1-CD1 4Å; I20-L34 HydrophobicContact CD1-CD2 3.95Å; I20-L34 HydrophobicContact CD1-CG 4.36Å; I20-V77 HydrophobicContact CG2-CG2 4.18Å; I20-L264 HydrophobicContact CD1-CD1 4.5Å; I20-L264 HydrophobicContact CG1-CD1 4.37Å; I20-L264 HydrophobicContact CG1-CD2 3.78Å |
| 21 | E | 97.5 | Very high | 95.6 | Very high | 93 Ų | 93 | 56.4 Ų | 56.4 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 178.8 | -172.8 | -173.7 | 179.9 | 0 | 0 | 111.8 | Y17 E18 E24 K25 | Y17-E21 WeakPolarHBondContact O-CB 3.28Å; Y17-E21 PolarHBondContact O-N 2.82Å; E18-E21 PolarHBondContact O-N 3.26Å; E21-E24 PolarHBondContact O-N 3.23Å; E21-K25 VanDerWaalsContact CD-NZ 3.34Å; E21-K25 HydrophobicContact CG-CD 4.45Å; E21-K25 WeakPolarHBondContact O-CG 3.39Å; E21-K25 PolarHBondContact O-N 3.34Å; E21-K25 VanDerWaalsContact O-N 3.11Å; E21-K25 VanDerWaalsContact OE1-CE 3.3Å; E21-K25 WeakPolarHBondContact OE1-CE 3.28Å; E21-K25 IonicContact OE1-NZ 2.71Å; E21-K25 PolarHBondContact OE1-NZ 2.93Å |
| 22 | Y | 96.9 | Very high | 95.8 | Very high | 139 Ų | 139 | 58.3 Ų | 58.3 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 174.1 | 172.4 | -97.2 | 0 | 0 | 0 | 111.8 | E18 T19 I20 K25 K26 | E18-Y22 WeakPolarHBondContact O-CB 3.35Å; E18-Y22 PolarHBondContact O-N 3.47Å; T19-Y22 PolarHBondContact O-N 3.2Å; I20-Y22 VanDerWaalsContact C-N 3.31Å; I20-Y22 PolarHBondContact O-N 2.96Å; Y22-K25 PolarHBondContact O-N 3.44Å; Y22-K26 HydrophobicContact CE1-CD 3.73Å; Y22-K26 VanDerWaalsContact O-CB 3.27Å; Y22-K26 WeakPolarHBondContact O-CB 3.3Å; Y22-K26 PolarHBondContact O-N 3.21Å |
| 23 | L | 95.6 | Very high | 96 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 178.7 | -69.2 | 177.4 | 0 | 0 | 0 | 112.4 | T19 I20 K25 K26 E27 L264 I266 P448 | T19-L23 HydrophobicContact CG2-CD1 4.31Å; T19-L23 VanDerWaalsContact O-CG 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.28Å; T19-L23 PolarHBondContact O-N 3.31Å; I20-L23 PolarHBondContact O-N 3.04Å; I20-L23 VanDerWaalsContact O-N 3.13Å; L23-K25 VanDerWaalsContact C-N 3.31Å; L23-K25 PolarHBondContact O-N 3.36Å; L23-K26 PolarHBondContact O-N 3.47Å; L23-E27 WeakPolarHBondContact O-CB 3.25Å; L23-E27 PolarHBondContact O-N 3.1Å; L23-L264 HydrophobicContact CD1-CD2 3.86Å; L23-I266 HydrophobicContact CB-CD1 3.92Å; L23-I266 HydrophobicContact CD1-CD1 3.86Å; L23-I266 HydrophobicContact CD1-CG1 4.37Å; L23-P448 HydrophobicContact CD2-CG 3.49Å; L23-P448 VanDerWaalsContact CD2-CG 3.49Å |
| 24 | E | 96.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.2 | -47.5 | 174.1 | -75 | -169.1 | 145.7 | 0 | 0 | 111.2 | I20 E21 S28 I29 K30 V31 | I20-E24 HydrophobicContact CG2-CG 4.26Å; I20-E24 WeakPolarHBondContact O-CG 3.45Å; I20-E24 PolarHBondContact O-N 3.1Å; E21-E24 PolarHBondContact O-N 3.23Å; E24-S28 VanDerWaalsContact O-CA 3.27Å; E24-S28 WeakPolarHBondContact O-CA 3.27Å; E24-S28 PolarHBondContact O-N 3.4Å; E24-I29 VanDerWaalsContact CA-O 3.27Å; E24-I29 WeakPolarHBondContact CA-O 3.42Å; E24-I29 VanDerWaalsContact CB-O 3.25Å; E24-I29 WeakPolarHBondContact CB-O 3.32Å; E24-I29 WeakPolarHBondContact CG-O 3.46Å; E24-I29 PolarHBondContact O-N 2.78Å; E24-I29 VanDerWaalsContact O-N 3.11Å; E24-K30 VanDerWaalsContact CD-NZ 3.28Å; E24-K30 VanDerWaalsContact OE1-CD 3.28Å; E24-K30 WeakPolarHBondContact OE1-CD 3.43Å; E24-K30 VanDerWaalsContact OE1-CE 3.28Å; E24-K30 WeakPolarHBondContact OE1-CE 3.27Å; E24-K30 IonicContact OE1-NZ 3.53Å; E24-K30 PolarHBondContact OE1-NZ 3.31Å; E24-K30 IonicContact OE2-NZ 3.59Å; E24-K30 PolarHBondContact OE2-NZ 3.48Å; E24-V31 HydrophobicContact CG-CB 4.44Å; E24-V31 HydrophobicContact CG-CG2 4.01Å; E24-V31 PolarHBondContact OE1-N 3.12Å |
| 25 | K | 96.9 | Very high | 96.5 | Very high | 139 Ų | 139 | 55.6 Ų | 55.6 | 60% | 0.604 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.5 | -46.5 | 178 | -70.9 | 172 | -174.1 | 167.1 | 0 | 112.2 | E21 Y22 L23 | E21-K25 VanDerWaalsContact CD-NZ 3.34Å; E21-K25 HydrophobicContact CG-CD 4.45Å; E21-K25 WeakPolarHBondContact O-CG 3.39Å; E21-K25 PolarHBondContact O-N 3.34Å; E21-K25 VanDerWaalsContact O-N 3.11Å; E21-K25 VanDerWaalsContact OE1-CE 3.3Å; E21-K25 WeakPolarHBondContact OE1-CE 3.28Å; E21-K25 IonicContact OE1-NZ 2.71Å; E21-K25 PolarHBondContact OE1-NZ 2.93Å; Y22-K25 PolarHBondContact O-N 3.44Å; L23-K25 VanDerWaalsContact C-N 3.31Å; L23-K25 PolarHBondContact O-N 3.36Å |
| 26 | K | 96.1 | Very high | 96.7 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 41% | 0.409 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.1 | -43.2 | -175.4 | -179 | 177.8 | -178.3 | 173.3 | 0 | 112.3 | Y22 L23 | Y22-K26 HydrophobicContact CE1-CD 3.73Å; Y22-K26 VanDerWaalsContact O-CB 3.27Å; Y22-K26 WeakPolarHBondContact O-CB 3.3Å; Y22-K26 PolarHBondContact O-N 3.21Å; L23-K26 PolarHBondContact O-N 3.47Å |
| 27 | E | 94.7 | Very high | 96.8 | Very high | 76 Ų | 76 | 50.8 Ų | 50.8 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -96.5 | -2.4 | -174.8 | -60.7 | -174.3 | -173.8 | 0 | 0 | 112.7 | L23 I29 | L23-E27 WeakPolarHBondContact O-CB 3.25Å; L23-E27 PolarHBondContact O-N 3.1Å; E27-I29 VanDerWaalsContact C-N 3.28Å; E27-I29 HydrophobicContact CB-CD1 4.11Å; E27-I29 HydrophobicContact CB-CG1 4.05Å; E27-I29 HydrophobicContact CB-CG2 4.17Å; E27-I29 PolarHBondContact O-N 3.11Å |
| 28 | S | 94.9 | Very high | 96.8 | Very high | 110 Ų | 110 | 50.3 Ų | 50.3 | 77% | 0.769 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 46.8 | -174.5 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | E24 | E24-S28 VanDerWaalsContact O-CA 3.27Å; E24-S28 WeakPolarHBondContact O-CA 3.27Å; E24-S28 PolarHBondContact O-N 3.4Å |
| 29 | I | 95.7 | Very high | 96.8 | Very high | 38 Ų | 38 | 44.8 Ų | 44.8 | 20% | 0.195 | 22% | 0.217 | C | C | . | . | trans | -119.5 | 162.5 | 177.3 | 63.5 | 178.2 | 0 | 0 | 0 | 110.4 | E24 E27 I266 | E24-I29 VanDerWaalsContact CA-O 3.27Å; E24-I29 WeakPolarHBondContact CA-O 3.42Å; E24-I29 VanDerWaalsContact CB-O 3.25Å; E24-I29 WeakPolarHBondContact CB-O 3.32Å; E24-I29 WeakPolarHBondContact CG-O 3.46Å; E24-I29 PolarHBondContact O-N 2.78Å; E24-I29 VanDerWaalsContact O-N 3.11Å; E27-I29 VanDerWaalsContact C-N 3.28Å; E27-I29 HydrophobicContact CB-CD1 4.11Å; E27-I29 HydrophobicContact CB-CG1 4.05Å; E27-I29 HydrophobicContact CB-CG2 4.17Å; E27-I29 PolarHBondContact O-N 3.11Å; I29-I266 HydrophobicContact CD1-CD1 3.62Å; I29-I266 HydrophobicContact CD1-CG2 4.18Å | ||
| 30 | K | 95.8 | Very high | 96.8 | Very high | 120 Ų | 120 | 42.8 Ų | 42.8 | 52% | 0.522 | 20% | 0.204 | S | C | . | . | trans | -116.7 | 128.8 | 168.3 | -174.4 | 72.2 | -158.6 | 145.6 | 0 | 108.7 | K2 E24 | K2-K30 VanDerWaalsContact CB-O 3.3Å; K2-K30 WeakPolarHBondContact CB-O 3.27Å; K2-K30 WeakPolarHBondContact CG-O 3.37Å; E24-K30 VanDerWaalsContact CD-NZ 3.28Å; E24-K30 VanDerWaalsContact OE1-CD 3.28Å; E24-K30 WeakPolarHBondContact OE1-CD 3.43Å; E24-K30 VanDerWaalsContact OE1-CE 3.28Å; E24-K30 WeakPolarHBondContact OE1-CE 3.27Å; E24-K30 IonicContact OE1-NZ 3.53Å; E24-K30 PolarHBondContact OE1-NZ 3.31Å; E24-K30 IonicContact OE2-NZ 3.59Å; E24-K30 PolarHBondContact OE2-NZ 3.48Å | ||
| 31 | V | 96.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | trans | -86.5 | 124.6 | 172.4 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | A4 I20 E24 L33 V77 I266 | A4-V31 HydrophobicContact CB-CG1 3.76Å; I20-V31 HydrophobicContact CG2-CB 3.96Å; I20-V31 HydrophobicContact CG2-CG1 4.33Å; I20-V31 HydrophobicContact CG2-CG2 3.86Å; E24-V31 HydrophobicContact CG-CB 4.44Å; E24-V31 HydrophobicContact CG-CG2 4.01Å; E24-V31 PolarHBondContact OE1-N 3.12Å; V31-L33 WeakPolarHBondContact CG1-O 3.27Å; V31-V77 HydrophobicContact CG1-CG1 4Å; V31-I266 HydrophobicContact CG2-CD1 3.82Å; V31-I266 HydrophobicContact CG2-CG1 4.37Å | ||
| 32 | D | 95.9 | Very high | 96.7 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 19% | 0.187 | C | C | . | . | trans | -89.1 | -26.9 | -177.5 | -65.4 | -84.3 | 0 | 0 | 0 | 112.8 | M1 K2 Y116 K117 | M1-D32 WeakPolarHBondContact CA-OD2 3.45Å; M1-D32 HydrophobicContact CG-CB 3.42Å; M1-D32 VanDerWaalsContact CG-CB 3.42Å; M1-D32 VanDerWaalsContact CG-OD2 3.28Å; M1-D32 WeakPolarHBondContact CG-OD2 3.35Å; M1-D32 HydrophobicContact SD-CB 3.93Å; K2-D32 PolarHBondContact N-OD2 3.22Å; K2-D32 PolarHBondContact O-N 3.2Å; D32-Y116 HydrophobicContact CB-CE1 4.38Å; D32-Y116 PolarHBondContact O-OH 2.94Å; D32-K117 IonicContact OD1-NZ 2.81Å; D32-K117 PolarHBondContact OD1-NZ 3.35Å | ||
| 33 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 141.5 | -171.2 | -176 | 70.5 | 0 | 0 | 0 | 110.8 | M1 I3 A4 V31 L35 L78 I80 Y116 I121 | M1-L33 HydrophobicContact CE-CD2 4.47Å; I3-L33 CarbonylContact C-O 3.59Å; I3-L33 WeakPolarHBondContact CA-O 3.37Å; I3-L33 HydrophobicContact CD1-CD2 4.23Å; I3-L33 HydrophobicContact CG1-CB 4.35Å; I3-L33 HydrophobicContact CG1-CD2 4.5Å; I3-L33 HydrophobicContact CG2-CB 4.26Å; I3-L33 HydrophobicContact CG2-CD2 4.24Å; I3-L33 HydrophobicContact CG2-CG 4.38Å; A4-L33 PolarHBondContact N-O 3.33Å; V31-L33 WeakPolarHBondContact CG1-O 3.27Å; L33-L35 HydrophobicContact CD2-CD2 3.62Å; L33-L35 HydrophobicContact CD2-CG 4.05Å; L33-L35 HydrophobicContact CG-CD2 3.97Å; L33-L35 HydrophobicContact CG-CG 4.34Å; L33-L78 WeakPolarHBondContact CA-O 3.39Å; L33-L78 HydrophobicContact CD1-CB 4.14Å; L33-L78 HydrophobicContact CD1-CD2 3.81Å; L33-L78 HydrophobicContact CD1-CG 3.75Å; L33-L78 WeakPolarHBondContact CD1-O 3.4Å; L33-I80 HydrophobicContact CD1-CD1 3.74Å; L33-I80 HydrophobicContact CD1-CG1 4Å; L33-I80 HydrophobicContact CD2-CD1 4.35Å; L33-Y116 HydrophobicContact CB-CD1 4.28Å; L33-Y116 HydrophobicContact CB-CE1 3.92Å; L33-Y116 HydrophobicContact CD1-CD1 4.21Å; L33-Y116 HydrophobicContact CD1-CE1 4.24Å; L33-Y116 HydrophobicContact CD2-CD1 3.99Å; L33-Y116 HydrophobicContact CD2-CE1 4.46Å; L33-Y116 HydrophobicContact CG-CD1 4.41Å; L33-Y116 HydrophobicContact CG-CE1 4.45Å; L33-I121 HydrophobicContact CD2-CD1 3.59Å |
| 34 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130 | 166.8 | 174 | 59.9 | 0 | 0 | 0 | 109.6 | A4 E6 I16 Y17 I20 V77 L78 T79 I80 L264 | A4-L34 HydrophobicContact CB-CD1 3.84Å; A4-L34 CarbonylContact O-C 3.55Å; A4-L34 WeakPolarHBondContact O-CA 3.35Å; E6-L34 HydrophobicContact CB-CD1 3.91Å; I16-L34 HydrophobicContact CG2-CD1 4.42Å; I16-L34 HydrophobicContact CG2-CD2 3.79Å; Y17-L34 HydrophobicContact CD1-CD2 4.35Å; Y17-L34 HydrophobicContact CE1-CD2 3.75Å; I20-L34 HydrophobicContact CD1-CB 4.45Å; I20-L34 HydrophobicContact CD1-CD1 4Å; I20-L34 HydrophobicContact CD1-CD2 3.95Å; I20-L34 HydrophobicContact CD1-CG 4.36Å; L34-V77 HydrophobicContact CB-CG1 4.25Å; L34-L78 PolarHBondContact N-O 3.3Å; L34-T79 HydrophobicContact CB-CG2 4.33Å; L34-T79 HydrophobicContact CD2-CG2 3.89Å; L34-T79 HydrophobicContact CG-CG2 4.04Å; L34-T79 CarbonylContact O-C 3.57Å; L34-T79 WeakPolarHBondContact O-CA 3.45Å; L34-I80 PolarHBondContact O-N 3.36Å; L34-L264 HydrophobicContact CD1-CD1 4.17Å |
| 35 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 113.4 | 173.5 | -62.9 | -175.6 | 0 | 0 | 0 | 109.9 | I3 A4 E6 L33 I80 I121 I171 M173 F224 | I3-L35 HydrophobicContact CG2-CD1 3.82Å; I3-L35 HydrophobicContact CG2-CG 3.74Å; A4-L35 PolarHBondContact O-N 2.91Å; E6-L35 PolarHBondContact N-O 3.11Å; L33-L35 HydrophobicContact CD2-CD2 3.62Å; L33-L35 HydrophobicContact CD2-CG 4.05Å; L33-L35 HydrophobicContact CG-CD2 3.97Å; L33-L35 HydrophobicContact CG-CG 4.34Å; L35-I80 WeakPolarHBondContact CA-O 3.48Å; L35-I80 HydrophobicContact CD2-CB 3.83Å; L35-I80 HydrophobicContact CD2-CD1 4.35Å; L35-I80 HydrophobicContact CD2-CG2 4.41Å; L35-I121 HydrophobicContact CD2-CD1 4.41Å; L35-I121 HydrophobicContact CD2-CG2 4.39Å; L35-I171 HydrophobicContact CD1-CD1 4.03Å; L35-I171 HydrophobicContact CD1-CG2 3.89Å; L35-M173 HydrophobicContact CB-CE 3.82Å; L35-M173 HydrophobicContact CB-SD 3.97Å; L35-M173 HydrophobicContact CD1-SD 4.08Å; L35-M173 HydrophobicContact CD2-SD 3.9Å; L35-M173 HydrophobicContact CG-SD 4.2Å; L35-F224 HydrophobicContact CD1-CD2 4.06Å; L35-F224 HydrophobicContact CD1-CE2 4.15Å |
| 36 | C | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.2 | 176.6 | -69.5 | 0 | 0 | 0 | 0 | 110.8 | E6 G38 F40 I80 F81 I82 M173 | E6-C36 WeakPolarHBondContact OE2-CB 3.26Å; E6-C36 PolarHBondContact OE2-SG 3Å; C36-G38 VanDerWaalsContact C-N 3.25Å; C36-G38 PolarHBondContact O-N 2.89Å; C36-F40 HydrophobicContact CB-CD2 4.03Å; C36-F40 HydrophobicContact CB-CE2 4.48Å; C36-I80 PolarHBondContact N-O 2.91Å; C36-F81 HydrophobicContact CB-CB 3.65Å; C36-F81 WeakPolarHBondContact O-CA 3.35Å; C36-I82 PolarHBondContact O-N 3.5Å; C36-M173 WeakPolarHBondContact O-CE 3.44Å |
| 37 | C | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -86.1 | 13 | -172.2 | -61.6 | 0 | 0 | 0 | 0 | 114 | E6 G7 H175 A226 | E6-C37 WeakPolarHBondContact O-CB 3.22Å; E6-C37 PolarHBondContact O-N 2.89Å; E6-C37 PolarHBondContact O-SG 2.88Å; E6-C37 VanDerWaalsContact O-SG 3.35Å; G7-C37 PolarHBondContact O-N 2.89Å; C37-H175 VanDerWaalsContact O-CA 3.25Å; C37-H175 WeakPolarHBondContact O-CA 3.47Å; C37-H175 WeakPolarHBondContact O-CB 3.38Å; C37-H175 PolarHBondContact O-ND1 2.86Å; C37-A226 HydrophobicContact CB-CB 3.75Å | ||
| 38 | G | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 125.7 | -171.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C9 C36 F40 I82 H175 | C9-G38 PolarHBondContact N-O 2.74Å; C36-G38 VanDerWaalsContact C-N 3.25Å; C36-G38 PolarHBondContact O-N 2.89Å; G38-F40 PolarHBondContact O-N 3.26Å; G38-I82 VanDerWaalsContact CA-O 3.22Å; G38-I82 WeakPolarHBondContact CA-O 3.32Å; G38-H175 WeakPolarHBondContact CA-ND1 3.45Å |
| 39 | D | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | trans | 46.1 | 44.8 | -166.9 | -78.2 | 5.8 | 0 | 0 | 0 | 110.8 | C8 H10 Q41 G84 N85 H86 E87 H175 | C8-D39 HydrophobicContact CB-CB 4.04Å; H10-D39 WeakPolarHBondContact CA-O 3.27Å; H10-D39 IonicContact CE1-OD2 2.86Å; H10-D39 PolarHBondContact CE1-OD2 3.18Å; H10-D39 VanDerWaalsContact CE1-OD2 3.3Å; H10-D39 PolarHBondContact N-O 2.63Å; H10-D39 IonicContact NE2-OD2 3.8Å; D39-Q41 VanDerWaalsContact C-N 3.35Å; D39-G84 WeakPolarHBondContact OD1-CA 3.38Å; D39-N85 PolarHBondContact OD1-N 3.26Å; D39-N85 PolarHBondContact OD1-OD1 2.85Å; D39-H86 HydrophobicContact CB-CB 4.33Å; D39-H86 PolarHBondContact OD1-N 3.49Å; D39-H86 IonicContact OD2-CE1 2.62Å; D39-H86 IonicContact OD2-CG 2.74Å; D39-H86 IonicContact OD2-ND1 2.75Å; D39-H86 PolarHBondContact OD2-ND1 3.16Å; D39-E87 VanDerWaalsContact CA-OE1 3.26Å; D39-E87 WeakPolarHBondContact CA-OE1 3.34Å; D39-E87 PolarHBondContact N-OE1 3.28Å; D39-H175 IonicContact OD1-CE1 2.54Å; D39-H175 IonicContact OD1-NE2 3.03Å; D39-H175 PolarHBondContact OD1-NE2 2.74Å; D39-H175 IonicContact OD2-NE2 3.26Å | ||
| 40 | F | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -69.4 | -36 | -174.4 | -171.1 | -90 | 0 | 0 | 0 | 111.6 | G11 L13 C36 G38 A42 F64 T79 F81 E87 I105 | G11-F40 PolarHBondContact N-O 2.71Å; L13-F40 HydrophobicContact CD1-CE1 3.97Å; L13-F40 HydrophobicContact CD1-CE2 4.46Å; L13-F40 HydrophobicContact CD1-CZ 3.67Å; L13-F40 HydrophobicContact CD2-CD2 4.45Å; L13-F40 HydrophobicContact CD2-CE2 3.57Å; L13-F40 HydrophobicContact CD2-CZ 3.6Å; L13-F40 HydrophobicContact CG-CZ 4.19Å; C36-F40 HydrophobicContact CB-CD2 4.03Å; C36-F40 HydrophobicContact CB-CE2 4.48Å; G38-F40 PolarHBondContact O-N 3.26Å; F40-A42 HydrophobicContact CD1-CB 3.87Å; F40-A42 HydrophobicContact CE1-CB 4.18Å; F40-F64 AromaticContact CE1-CD2 3.89Å; F40-F64 HydrophobicContact CE1-CD2 3.89Å; F40-F64 AromaticContact CE1-CE2 3.87Å; F40-F64 HydrophobicContact CE1-CE2 3.87Å; F40-T79 HydrophobicContact CE2-CG2 4.16Å; F40-F81 HydrophobicContact CB-CD2 3.4Å; F40-F81 HydrophobicContact CB-CE2 3.69Å; F40-F81 HydrophobicContact CB-CG 4.12Å; F40-F81 HydrophobicContact CD1-CD1 4.46Å; F40-F81 HydrophobicContact CD1-CD2 4.08Å; F40-F81 HydrophobicContact CD1-CE1 4.28Å; F40-F81 AromaticContact CD1-CE2 3.88Å; F40-F81 HydrophobicContact CD1-CE2 3.88Å; F40-F81 HydrophobicContact CD1-CG 4.36Å; F40-F81 AromaticContact CD1-CZ 3.97Å; F40-F81 HydrophobicContact CD1-CZ 3.97Å; F40-F81 HydrophobicContact CD2-CB 3.72Å; F40-F81 HydrophobicContact CD2-CD1 4.08Å; F40-F81 AromaticContact CD2-CD2 3.8Å; F40-F81 HydrophobicContact CD2-CD2 3.8Å; F40-F81 HydrophobicContact CD2-CE2 4.43Å; F40-F81 AromaticContact CD2-CG 3.6Å; F40-F81 HydrophobicContact CD2-CG 3.6Å; F40-F81 HydrophobicContact CE1-CD1 4.48Å; F40-F81 HydrophobicContact CE1-CE1 4.28Å; F40-F81 HydrophobicContact CE1-CZ 4.35Å; F40-F81 HydrophobicContact CE2-CB 4.19Å; F40-F81 HydrophobicContact CE2-CD1 4.08Å; F40-F81 HydrophobicContact CE2-CG 4.05Å; F40-F81 HydrophobicContact CG-CB 4.31Å; F40-F81 HydrophobicContact CG-CD1 4.26Å; F40-F81 AromaticContact CG-CD2 3.48Å; F40-F81 HydrophobicContact CG-CD2 3.48Å; F40-F81 VanDerWaalsContact CG-CD2 3.48Å; F40-F81 HydrophobicContact CG-CE1 4.48Å; F40-F81 AromaticContact CG-CE2 3.75Å; F40-F81 HydrophobicContact CG-CE2 3.75Å; F40-F81 AromaticContact CG-CG 3.77Å; F40-F81 HydrophobicContact CG-CG 3.77Å; F40-F81 HydrophobicContact CG-CZ 4.23Å; F40-F81 HydrophobicContact CZ-CD1 4.3Å; F40-F81 HydrophobicContact CZ-CE1 4.47Å; F40-E87 PolarHBondContact N-OE1 2.86Å; F40-E87 PolarHBondContact N-OE2 3.11Å; F40-I105 HydrophobicContact CE1-CG2 4.17Å; F40-I105 HydrophobicContact CE2-CG2 4.26Å; F40-I105 HydrophobicContact CZ-CD1 4.39Å; F40-I105 HydrophobicContact CZ-CG2 3.55Å | ||
| 41 | Q | 95.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 9.7 Ų | 9.7 | 8% | 0.075 | 5% | 0.047 | C | C | . | . | trans | 58.8 | 58 | -179.3 | -63 | -178.3 | -165.4 | 0 | 0 | 112.6 | H10 D39 V43 M52 H86 E87 | H10-Q41 PolarHBondContact ND1-OE1 2.73Å; H10-Q41 PolarHBondContact O-NE2 3.13Å; D39-Q41 VanDerWaalsContact C-N 3.35Å; Q41-V43 HydrophobicContact CB-CG2 4.37Å; Q41-V43 PolarHBondContact O-N 2.88Å; Q41-M52 HydrophobicContact CB-CE 3.99Å; Q41-M52 HydrophobicContact CG-CE 3.7Å; Q41-M52 HydrophobicContact CG-SD 4.15Å; Q41-H86 HydrophobicContact CG-CB 4.47Å; Q41-H86 WeakPolarHBondContact CG-O 3.49Å; Q41-E87 PolarHBondContact N-OE2 3.4Å | ||
| 42 | A | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | trans | -70.6 | 52.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F40 F64 H91 L92 | F40-A42 HydrophobicContact CD1-CB 3.87Å; F40-A42 HydrophobicContact CE1-CB 4.18Å; A42-F64 HydrophobicContact CB-CD1 4.17Å; A42-F64 HydrophobicContact CB-CE1 3.8Å; A42-F64 HydrophobicContact CB-CE2 4.28Å; A42-F64 HydrophobicContact CB-CZ 3.87Å; A42-H91 PolarHBondContact O-ND1 3.32Å; A42-L92 HydrophobicContact CB-CD2 4.39Å | ||
| 43 | V | 96.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.006 | 4% | 0.039 | C | C | . | . | trans | -76.9 | 121.4 | -175.5 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | Q41 N45 D48 L49 M52 M61 F64 Y65 A88 | Q41-V43 HydrophobicContact CB-CG2 4.37Å; Q41-V43 PolarHBondContact O-N 2.88Å; V43-N45 WeakPolarHBondContact CG1-O 3.34Å; V43-D48 HydrophobicContact CG1-CB 3.96Å; V43-L49 HydrophobicContact CG1-CB 4.1Å; V43-L49 HydrophobicContact CG1-CD1 4.3Å; V43-L49 HydrophobicContact CG2-CD1 4.38Å; V43-M52 HydrophobicContact CG2-CE 3.27Å; V43-M61 HydrophobicContact CG1-CE 3.72Å; V43-M61 HydrophobicContact CG1-SD 3.72Å; V43-F64 WeakPolarHBondContact O-CD1 3.4Å; V43-Y65 WeakPolarHBondContact O-CB 3.46Å; V43-Y65 PolarHBondContact O-N 2.84Å; V43-A88 HydrophobicContact CG2-CB 4.11Å | ||
| 44 | R | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | trans | -94.5 | -34.5 | -179.4 | -52.3 | 165.4 | -71 | -173 | 2.7 | 112.2 | D48 F64 Y65 Y69 H91 E94 T344 V345 P347 Y348 | R44-D48 WeakPolarHBondContact CA-OD2 3.46Å; R44-D48 WeakPolarHBondContact CB-OD2 3.15Å; R44-D48 WeakPolarHBondContact CG-OD2 3.31Å; R44-D48 IonicContact CZ-OD1 2.94Å; R44-D48 IonicContact CZ-OD2 3.58Å; R44-D48 PolarHBondContact N-OD2 2.89Å; R44-D48 IonicContact NE-OD1 2.65Å; R44-D48 IonicContact NE-OD2 3.3Å; R44-D48 PolarHBondContact NE-OD2 3.06Å; R44-D48 IonicContact NH2-OD1 2.79Å; R44-D48 PolarHBondContact NH2-OD1 2.93Å; R44-D48 IonicContact NH2-OD2 3.68Å; R44-F64 HydrophobicContact CG-CE1 4.34Å; R44-Y65 WeakPolarHBondContact O-CB 3.34Å; R44-Y69 HydrophobicContact CB-CD1 3.85Å; R44-Y69 HydrophobicContact CB-CE1 3.76Å; R44-Y69 HydrophobicContact CB-CG 4.28Å; R44-Y69 WeakPolarHBondContact CD-OH 3.39Å; R44-Y69 HydrophobicContact CG-CD1 3.93Å; R44-Y69 HydrophobicContact CG-CD2 3.79Å; R44-Y69 HydrophobicContact CG-CE1 3.88Å; R44-Y69 HydrophobicContact CG-CE2 3.71Å; R44-Y69 HydrophobicContact CG-CG 3.89Å; R44-H91 VanDerWaalsContact CZ-CD2 3.43Å; R44-H91 VanDerWaalsContact CZ-CG 3.47Å; R44-H91 PolarHBondContact NH1-CD2 2.84Å; R44-E94 IonicContact CZ-OE1 2.63Å; R44-E94 VanDerWaalsContact CZ-OE1 3.28Å; R44-E94 IonicContact NH1-OE1 2.89Å; R44-E94 PolarHBondContact NH1-OE1 2.95Å; R44-E94 IonicContact NH1-OE2 3.9Å; R44-E94 PolarHBondContact NH1-OE2 2.92Å; R44-E94 VanDerWaalsContact NH1-OE2 3.08Å; R44-E94 IonicContact NH2-OE1 3.89Å; R44-E94 PolarHBondContact NH2-OE1 2.84Å; R44-T344 PolarHBondContact NH1-OG1 2.82Å; R44-V345 HydrophobicContact CB-CG2 3.99Å; R44-V345 HydrophobicContact CG-CG2 4.46Å; R44-P347 CarbonylContact O-C 3.18Å; R44-P347 WeakPolarHBondContact O-CA 3.46Å; R44-Y348 PolarHBondContact O-N 3.5Å | ||
| 45 | N | 95.5 | Very high | 94.8 | Very high | 26 Ų | 26 | 9.5 Ų | 9.5 | 14% | 0.139 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -153.4 | 179.2 | 178.8 | 60.7 | 45.2 | 0 | 0 | 0 | 113.5 | V43 G47 D48 L49 V345 P346 | V43-N45 WeakPolarHBondContact CG1-O 3.34Å; N45-G47 PolarHBondContact O-N 3.02Å; N45-G47 WeakPolarHBondContact OD1-CA 3.48Å; N45-G47 PolarHBondContact OD1-N 3.11Å; N45-D48 WeakPolarHBondContact O-CB 3.5Å; N45-D48 PolarHBondContact O-N 2.73Å; N45-D48 PolarHBondContact OD1-N 3.49Å; N45-D48 VanDerWaalsContact OD1-N 3.13Å; N45-L49 PolarHBondContact O-N 3.42Å; N45-L49 VanDerWaalsContact O-N 3.13Å; N45-V345 WeakPolarHBondContact ND2-CG2 3.4Å; N45-P346 PolarHBondContact ND2-O 3.3Å |
| 46 | E | 93.9 | Very high | 94.2 | Very high | 29 Ų | 29 | 13.1 Ų | 13.1 | 14% | 0.136 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.1 | -22.6 | -179.9 | -73.5 | 168.3 | 113.6 | 0 | 0 | 114 | L49 K50 M61 Y348 Q354 P355 | E46-L49 PolarHBondContact O-N 3Å; E46-K50 PolarHBondContact O-N 2.9Å; E46-M61 HydrophobicContact CG-SD 4.22Å; E46-Y348 HydrophobicContact CG-CD2 3.75Å; E46-Y348 HydrophobicContact CG-CE2 3.83Å; E46-Y348 WeakPolarHBondContact OE2-CD2 3.48Å; E46-Y348 VanDerWaalsContact OE2-CE2 3.26Å; E46-Y348 WeakPolarHBondContact OE2-CE2 3.12Å; E46-Q354 VanDerWaalsContact CD-C 3.45Å; E46-Q354 WeakPolarHBondContact OE2-CA 3.31Å; E46-Q354 PolarHBondContact OE2-N 3.09Å; E46-P355 WeakPolarHBondContact OE1-CA 3.49Å |
| 47 | G | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N45 L49 K50 C51 | N45-G47 PolarHBondContact O-N 3.02Å; N45-G47 WeakPolarHBondContact OD1-CA 3.48Å; N45-G47 PolarHBondContact OD1-N 3.11Å; G47-L49 VanDerWaalsContact C-N 3.29Å; G47-L49 PolarHBondContact O-N 3.07Å; G47-K50 WeakPolarHBondContact O-CB 3.32Å; G47-K50 PolarHBondContact O-N 3.04Å; G47-C51 PolarHBondContact O-SG 3.03Å |
| 48 | D | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -37.5 | 173 | -69.1 | -9.5 | 0 | 0 | 0 | 111.7 | V43 R44 N45 K50 C51 A88 N90 | V43-D48 HydrophobicContact CG1-CB 3.96Å; R44-D48 WeakPolarHBondContact CA-OD2 3.46Å; R44-D48 WeakPolarHBondContact CB-OD2 3.15Å; R44-D48 WeakPolarHBondContact CG-OD2 3.31Å; R44-D48 IonicContact CZ-OD1 2.94Å; R44-D48 IonicContact CZ-OD2 3.58Å; R44-D48 PolarHBondContact N-OD2 2.89Å; R44-D48 IonicContact NE-OD1 2.65Å; R44-D48 IonicContact NE-OD2 3.3Å; R44-D48 PolarHBondContact NE-OD2 3.06Å; R44-D48 IonicContact NH2-OD1 2.79Å; R44-D48 PolarHBondContact NH2-OD1 2.93Å; R44-D48 IonicContact NH2-OD2 3.68Å; N45-D48 WeakPolarHBondContact O-CB 3.5Å; N45-D48 PolarHBondContact O-N 2.73Å; N45-D48 PolarHBondContact OD1-N 3.49Å; N45-D48 VanDerWaalsContact OD1-N 3.13Å; D48-K50 PolarHBondContact O-N 2.8Å; D48-C51 WeakPolarHBondContact O-CA 3.34Å; D48-C51 VanDerWaalsContact O-CB 3.26Å; D48-C51 WeakPolarHBondContact O-CB 3.3Å; D48-C51 PolarHBondContact O-N 3.12Å; D48-A88 HydrophobicContact CB-CB 4Å; D48-N90 PolarHBondContact OD1-ND2 2.94Å; D48-N90 PolarHBondContact OD1-OD1 3.45Å |
| 49 | L | 92.4 | Very high | 92.6 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 11% | 0.11 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -29.9 | 179.3 | -167.4 | 62.8 | 0 | 0 | 0 | 112.1 | V43 N45 E46 G47 C51 M52 R59 M61 | V43-L49 HydrophobicContact CG1-CB 4.1Å; V43-L49 HydrophobicContact CG1-CD1 4.3Å; V43-L49 HydrophobicContact CG2-CD1 4.38Å; N45-L49 PolarHBondContact O-N 3.42Å; N45-L49 VanDerWaalsContact O-N 3.13Å; E46-L49 PolarHBondContact O-N 3Å; G47-L49 VanDerWaalsContact C-N 3.29Å; G47-L49 PolarHBondContact O-N 3.07Å; L49-C51 VanDerWaalsContact C-N 3.27Å; L49-C51 PolarHBondContact O-N 2.67Å; L49-M52 HydrophobicContact CD1-CE 4.29Å; L49-M52 PolarHBondContact O-N 2.91Å; L49-R59 HydrophobicContact CD1-CB 3.83Å; L49-R59 HydrophobicContact CD1-CG 4.39Å; L49-R59 HydrophobicContact CD2-CB 3.91Å; L49-R59 HydrophobicContact CG-CB 3.77Å; L49-R59 HydrophobicContact CG-CG 4.37Å; L49-R59 WeakPolarHBondContact O-CD 3.49Å; L49-M61 HydrophobicContact CB-SD 4.3Å; L49-M61 HydrophobicContact CD2-CG 4.38Å; L49-M61 HydrophobicContact CD2-SD 4.14Å |
| 50 | K | 92.9 | Very high | 92.2 | Very high | 66 Ų | 66 | 33 Ų | 33 | 29% | 0.287 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -17.8 | 173.9 | -67.5 | 171.5 | -175.6 | 174.4 | 0 | 113.6 | E46 G47 D48 M52 P355 H356 A357 P359 | E46-K50 PolarHBondContact O-N 2.9Å; G47-K50 WeakPolarHBondContact O-CB 3.32Å; G47-K50 PolarHBondContact O-N 3.04Å; D48-K50 PolarHBondContact O-N 2.8Å; K50-M52 VanDerWaalsContact C-N 3.27Å; K50-P355 WeakPolarHBondContact CE-O 3.47Å; K50-P355 PolarHBondContact NZ-O 2.71Å; K50-H356 PolarHBondContact NZ-O 2.9Å; K50-A357 WeakPolarHBondContact CD-O 3.29Å; K50-A357 WeakPolarHBondContact CE-O 3.26Å; K50-A357 PolarHBondContact NZ-O 3.4Å; K50-P359 HydrophobicContact CB-CG 4.04Å |
| 51 | C | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2.3 | 177.7 | -53.5 | 0 | 0 | 0 | 0 | 112.8 | G47 D48 L49 N90 Y143 L148 P359 | G47-C51 PolarHBondContact O-SG 3.03Å; D48-C51 WeakPolarHBondContact O-CA 3.34Å; D48-C51 VanDerWaalsContact O-CB 3.26Å; D48-C51 WeakPolarHBondContact O-CB 3.3Å; D48-C51 PolarHBondContact O-N 3.12Å; L49-C51 VanDerWaalsContact C-N 3.27Å; L49-C51 PolarHBondContact O-N 2.67Å; C51-N90 HydrophobicContact CB-CB 4.13Å; C51-N90 VanDerWaalsContact CB-OD1 3.29Å; C51-N90 WeakPolarHBondContact CB-OD1 3.21Å; C51-Y143 HydrophobicContact CB-CD2 4.13Å; C51-Y143 HydrophobicContact CB-CE2 3.72Å; C51-L148 VanDerWaalsContact C-CD1 3.42Å; C51-L148 WeakPolarHBondContact O-CD1 3.29Å; C51-P359 VanDerWaalsContact SG-CB 3.55Å |
| 52 | M | 93.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -95.5 | 130.1 | 176.9 | -167.3 | -174.2 | -63.5 | 0 | 0 | 110.8 | Q41 V43 L49 K50 V54 R59 H86 E87 | Q41-M52 HydrophobicContact CB-CE 3.99Å; Q41-M52 HydrophobicContact CG-CE 3.7Å; Q41-M52 HydrophobicContact CG-SD 4.15Å; V43-M52 HydrophobicContact CG2-CE 3.27Å; L49-M52 HydrophobicContact CD1-CE 4.29Å; L49-M52 PolarHBondContact O-N 2.91Å; K50-M52 VanDerWaalsContact C-N 3.27Å; M52-V54 HydrophobicContact CG-CB 4.28Å; M52-V54 HydrophobicContact CG-CG2 3.75Å; M52-V54 PolarHBondContact O-N 3.05Å; M52-V54 HydrophobicContact SD-CB 4.22Å; M52-V54 HydrophobicContact SD-CG2 3.62Å; M52-R59 PolarHBondContact O-NH2 3.19Å; M52-H86 HydrophobicContact SD-CB 4.43Å; M52-E87 VanDerWaalsContact CA-O 3.29Å; M52-E87 WeakPolarHBondContact CA-O 3.4Å; M52-E87 WeakPolarHBondContact CB-O 3.46Å; M52-E87 WeakPolarHBondContact CG-O 3.29Å |
| 53 | A | 92.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 19% | 0.191 | C | C | . | . | trans | -77.8 | 59.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L148 R149 Y152 N419 | A53-L148 HydrophobicContact CB-CD2 4.45Å; A53-L148 HydrophobicContact CB-CG 4.22Å; A53-R149 HydrophobicContact CB-CG 4.49Å; A53-Y152 HydrophobicContact CB-CE1 3.48Å; A53-Y152 VanDerWaalsContact CB-CE1 3.48Å; A53-N419 PolarHBondContact O-ND2 2.92Å | ||
| 54 | V | 88.7 | Confident | 91.3 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -120.9 | 142.3 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 108.2 | M52 A56 R59 H86 | M52-V54 HydrophobicContact CG-CB 4.28Å; M52-V54 HydrophobicContact CG-CG2 3.75Å; M52-V54 PolarHBondContact O-N 3.05Å; M52-V54 HydrophobicContact SD-CB 4.22Å; M52-V54 HydrophobicContact SD-CG2 3.62Å; V54-A56 PolarHBondContact O-N 3.44Å; V54-R59 HydrophobicContact CB-CG 4.05Å; V54-R59 HydrophobicContact CG1-CG 4.03Å; V54-R59 VanDerWaalsContact O-CZ 3.26Å; V54-R59 PolarHBondContact O-NE 3.49Å; V54-R59 PolarHBondContact O-NH2 2.71Å; V54-H86 HydrophobicContact CG2-CB 4.09Å; V54-H86 WeakPolarHBondContact CG2-CD2 3.39Å |
| 55 | P | 87.1 | Confident | 91.1 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | trans | -53.3 | 136.9 | 171.8 | -26.8 | 35 | 0 | 0 | 0 | 111.6 | K57 Y58 | P55-K57 HydrophobicContact CB-CG 4.37Å; P55-K57 PolarHBondContact O-N 2.56Å; P55-Y58 HydrophobicContact CB-CD2 3.91Å; P55-Y58 HydrophobicContact CB-CE2 4.44Å; P55-Y58 HydrophobicContact CG-CD2 4.04Å; P55-Y58 HydrophobicContact CG-CE2 4.47Å; P55-Y58 PolarHBondContact O-N 3.46Å | ||
| 56 | A | 85.5 | Confident | 90.8 | Very high | 77 Ų | 77 | 42.5 Ų | 42.5 | 64% | 0.636 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -52.9 | -35.4 | -170 | 0 | 0 | 0 | 0 | 0 | 114.3 | V54 Y58 R59 | V54-A56 PolarHBondContact O-N 3.44Å; A56-Y58 VanDerWaalsContact C-N 3.25Å; A56-Y58 PolarHBondContact O-N 2.94Å; A56-R59 PolarHBondContact O-N 3.39Å |
| 57 | K | 87.3 | Confident | 90.5 | Very high | 148 Ų | 148 | 41.3 Ų | 41.3 | 64% | 0.643 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -65.2 | -20.5 | 178 | 57.6 | 168.5 | 170.8 | 165 | 0 | 115.1 | P55 | P55-K57 HydrophobicContact CB-CG 4.37Å; P55-K57 PolarHBondContact O-N 2.56Å |
| 58 | Y | 85.3 | Confident | 90.6 | Very high | 133 Ų | 133 | 41.5 Ų | 41.5 | 52% | 0.522 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -105.6 | 0.7 | -177.7 | -58.1 | -45 | 0 | 0 | 0 | 112.8 | P55 A56 T60 | P55-Y58 HydrophobicContact CB-CD2 3.91Å; P55-Y58 HydrophobicContact CB-CE2 4.44Å; P55-Y58 HydrophobicContact CG-CD2 4.04Å; P55-Y58 HydrophobicContact CG-CE2 4.47Å; P55-Y58 PolarHBondContact O-N 3.46Å; A56-Y58 VanDerWaalsContact C-N 3.25Å; A56-Y58 PolarHBondContact O-N 2.94Å; Y58-T60 PolarHBondContact O-N 3.24Å |
| 59 | R | 88.3 | Confident | 90.7 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 26% | 0.26 | 21% | 0.206 | S | C | . | . | trans | -76.7 | 120.7 | 178.6 | -69.9 | -180 | -168.2 | 176.2 | -1.8 | 110.2 | L49 M52 V54 A56 | L49-R59 HydrophobicContact CD1-CB 3.83Å; L49-R59 HydrophobicContact CD1-CG 4.39Å; L49-R59 HydrophobicContact CD2-CB 3.91Å; L49-R59 HydrophobicContact CG-CB 3.77Å; L49-R59 HydrophobicContact CG-CG 4.37Å; L49-R59 WeakPolarHBondContact O-CD 3.49Å; M52-R59 PolarHBondContact O-NH2 3.19Å; V54-R59 HydrophobicContact CB-CG 4.05Å; V54-R59 HydrophobicContact CG1-CG 4.03Å; V54-R59 VanDerWaalsContact O-CZ 3.26Å; V54-R59 PolarHBondContact O-NE 3.49Å; V54-R59 PolarHBondContact O-NH2 2.71Å; A56-R59 PolarHBondContact O-N 3.39Å | ||
| 60 | T | 88.8 | Confident | 90.7 | Very high | 67 Ų | 67 | 42.5 Ų | 42.5 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | trans | -129.2 | 143.4 | 176.8 | 57.9 | 0 | 0 | 0 | 0 | 110.1 | Y58 Q62 | Y58-T60 PolarHBondContact O-N 3.24Å; T60-Q62 PolarHBondContact O-N 2.89Å; T60-Q62 VanDerWaalsContact OG1-CD 3.3Å; T60-Q62 WeakPolarHBondContact OG1-CG 3.49Å; T60-Q62 PolarHBondContact OG1-NE2 3.41Å; T60-Q62 VanDerWaalsContact OG1-NE2 3.1Å | ||
| 61 | M | 89.4 | Confident | 90.7 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | trans | -68.4 | -21.3 | 178 | -78.7 | -60.3 | -51.4 | 0 | 0 | 113.4 | V43 E46 L49 Y65 Y348 | V43-M61 HydrophobicContact CG1-CE 3.72Å; V43-M61 HydrophobicContact CG1-SD 3.72Å; E46-M61 HydrophobicContact CG-SD 4.22Å; L49-M61 HydrophobicContact CB-SD 4.3Å; L49-M61 HydrophobicContact CD2-CG 4.38Å; L49-M61 HydrophobicContact CD2-SD 4.14Å; M61-Y65 HydrophobicContact CB-CD1 4.07Å; M61-Y65 HydrophobicContact CB-CE1 3.79Å; M61-Y65 HydrophobicContact CE-CD1 3.44Å; M61-Y65 VanDerWaalsContact CE-CD1 3.44Å; M61-Y65 HydrophobicContact CE-CE1 4.1Å; M61-Y65 HydrophobicContact CE-CG 3.7Å; M61-Y348 HydrophobicContact CE-CD1 4.31Å; M61-Y348 HydrophobicContact CE-CG 4.07Å; M61-Y348 HydrophobicContact CG-CD1 4.11Å; M61-Y348 HydrophobicContact CG-CE1 4.29Å; M61-Y348 HydrophobicContact CG-CG 4.34Å; M61-Y348 HydrophobicContact SD-CG 4.48Å | ||
| 62 | Q | 90.8 | Very high | 90.6 | Very high | 62 Ų | 62 | 47.1 Ų | 47.1 | 29% | 0.29 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -141.4 | -174.9 | -59.4 | -67 | 16.4 | 0 | 0 | 112.6 | H10 T60 Y65 | H10-Q62 PolarHBondContact O-NE2 3.5Å; T60-Q62 PolarHBondContact O-N 2.89Å; T60-Q62 VanDerWaalsContact OG1-CD 3.3Å; T60-Q62 WeakPolarHBondContact OG1-CG 3.49Å; T60-Q62 PolarHBondContact OG1-NE2 3.41Å; T60-Q62 VanDerWaalsContact OG1-NE2 3.1Å; Q62-Y65 VanDerWaalsContact O-CE1 3.31Å; Q62-Y65 WeakPolarHBondContact O-CE1 3.37Å |
| 63 | T | 89.6 | Confident | 90.6 | Very high | 34 Ų | 34 | 51.1 Ų | 51.1 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -12.9 | -170.7 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | G11 D14 Y65 K66 S67 | G11-T63 PolarHBondContact O-OG1 3.31Å; D14-T63 WeakPolarHBondContact OD2-CB 3.41Å; D14-T63 WeakPolarHBondContact OD2-CG2 3.5Å; T63-Y65 PolarHBondContact O-N 2.81Å; T63-K66 PolarHBondContact O-N 2.85Å; T63-S67 WeakPolarHBondContact O-CB 3.49Å; T63-S67 PolarHBondContact O-N 3.24Å |
| 64 | F | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.6 | -51.4 | -172.9 | 179 | -98.2 | 0 | 0 | 0 | 113.5 | L13 F40 A42 V43 R44 K66 Y68 Y69 V101 A102 I105 | L13-F64 HydrophobicContact CD1-CB 4.34Å; L13-F64 HydrophobicContact CD1-CD2 3.67Å; L13-F64 HydrophobicContact CD1-CG 4.49Å; F40-F64 AromaticContact CE1-CD2 3.89Å; F40-F64 HydrophobicContact CE1-CD2 3.89Å; F40-F64 AromaticContact CE1-CE2 3.87Å; F40-F64 HydrophobicContact CE1-CE2 3.87Å; A42-F64 HydrophobicContact CB-CD1 4.17Å; A42-F64 HydrophobicContact CB-CE1 3.8Å; A42-F64 HydrophobicContact CB-CE2 4.28Å; A42-F64 HydrophobicContact CB-CZ 3.87Å; V43-F64 WeakPolarHBondContact O-CD1 3.4Å; R44-F64 HydrophobicContact CG-CE1 4.34Å; F64-K66 PolarHBondContact O-N 3Å; F64-Y68 HydrophobicContact CD2-CD2 4.41Å; F64-Y68 PolarHBondContact O-N 3.07Å; F64-Y69 HydrophobicContact CE1-CD2 4.27Å; F64-Y69 HydrophobicContact CE1-CG 4.34Å; F64-Y69 PolarHBondContact O-N 3.35Å; F64-V101 HydrophobicContact CE2-CG2 4.02Å; F64-V101 HydrophobicContact CZ-CB 4.01Å; F64-V101 HydrophobicContact CZ-CG2 3.84Å; F64-A102 HydrophobicContact CE2-CB 4.23Å; F64-A102 HydrophobicContact CZ-CB 4.3Å; F64-I105 HydrophobicContact CE2-CD1 4.32Å |
| 65 | Y | 92.4 | Very high | 91 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 9% | 0.09 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -57.2 | -40.3 | -179 | 77.2 | -82.3 | 0 | 0 | 0 | 112.4 | V43 R44 M61 Q62 T63 S70 Y348 P350 | V43-Y65 WeakPolarHBondContact O-CB 3.46Å; V43-Y65 PolarHBondContact O-N 2.84Å; R44-Y65 WeakPolarHBondContact O-CB 3.34Å; M61-Y65 HydrophobicContact CB-CD1 4.07Å; M61-Y65 HydrophobicContact CB-CE1 3.79Å; M61-Y65 HydrophobicContact CE-CD1 3.44Å; M61-Y65 VanDerWaalsContact CE-CD1 3.44Å; M61-Y65 HydrophobicContact CE-CE1 4.1Å; M61-Y65 HydrophobicContact CE-CG 3.7Å; Q62-Y65 VanDerWaalsContact O-CE1 3.31Å; Q62-Y65 WeakPolarHBondContact O-CE1 3.37Å; T63-Y65 PolarHBondContact O-N 2.81Å; Y65-S70 WeakPolarHBondContact O-CB 3.31Å; Y65-S70 PolarHBondContact O-N 2.54Å; Y65-Y348 HydrophobicContact CD2-CD1 4.11Å; Y65-Y348 HydrophobicContact CD2-CG 4.42Å; Y65-Y348 WeakPolarHBondContact CD2-O 3.37Å; Y65-Y348 HydrophobicContact CE1-CD1 4.03Å; Y65-Y348 AromaticContact CE2-CD1 3.51Å; Y65-Y348 HydrophobicContact CE2-CD1 3.51Å; Y65-Y348 HydrophobicContact CE2-CE1 4.5Å; Y65-Y348 HydrophobicContact CE2-CG 4.21Å; Y65-Y348 WeakPolarHBondContact CE2-O 3.46Å; Y65-Y348 AromaticContact CZ-CD1 3.47Å; Y65-Y348 VanDerWaalsContact CZ-CD1 3.47Å; Y65-P350 HydrophobicContact CE2-CG 4.35Å; Y65-P350 WeakPolarHBondContact OH-CG 3.43Å |
| 66 | K | 89.4 | Confident | 91.4 | Very high | 101 Ų | 101 | 59.2 Ų | 59.2 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -79.3 | -62.1 | -174.5 | -179.5 | -179.7 | 176.3 | -171.7 | 0 | 110 | T63 F64 S70 E72 | T63-K66 PolarHBondContact O-N 2.85Å; F64-K66 PolarHBondContact O-N 3Å; K66-S70 WeakPolarHBondContact O-CB 3.27Å; K66-S70 PolarHBondContact O-OG 3.39Å; K66-E72 WeakPolarHBondContact CE-OE2 3.24Å; K66-E72 WeakPolarHBondContact CG-OE2 3.11Å; K66-E72 WeakPolarHBondContact O-CB 3.31Å |
| 67 | S | 88.4 | Confident | 92 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -68.7 | -43 | -170.8 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | D14 T63 K73 | D14-S67 PolarHBondContact OD2-OG 3.02Å; D14-S67 VanDerWaalsContact OD2-OG 3.1Å; T63-S67 WeakPolarHBondContact O-CB 3.49Å; T63-S67 PolarHBondContact O-N 3.24Å; S67-K73 CarbonylContact O-C 3.26Å; S67-K73 VanDerWaalsContact O-CA 3.3Å; S67-K73 WeakPolarHBondContact O-CA 3.4Å; S67-K73 VanDerWaalsContact O-CB 3.28Å; S67-K73 WeakPolarHBondContact O-CB 3.33Å; S67-K73 PolarHBondContact O-N 2.84Å; S67-K73 VanDerWaalsContact O-O 3.06Å |
| 68 | Y | 95.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.02 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -115.4 | -46.6 | -166.6 | -55.1 | -74.8 | 0 | 0 | 0 | 113.7 | L13 D14 Y17 F64 G71 K73 A75 I105 | L13-Y68 HydrophobicContact CB-CD2 4.33Å; L13-Y68 HydrophobicContact CB-CE2 3.56Å; L13-Y68 HydrophobicContact CD1-CD2 3.71Å; L13-Y68 HydrophobicContact CD1-CE2 3.81Å; L13-Y68 HydrophobicContact CG-CE2 4.35Å; D14-Y68 PolarHBondContact OD1-OH 2.87Å; Y17-Y68 HydrophobicContact CD2-CE1 4.27Å; Y17-Y68 AromaticContact CD2-CZ 3.79Å; Y17-Y68 WeakPolarHBondContact CD2-OH 3.41Å; Y17-Y68 AromaticContact CE2-CE1 3.82Å; Y17-Y68 HydrophobicContact CE2-CE1 3.82Å; Y17-Y68 HydrophobicContact CE2-CE2 4.25Å; Y17-Y68 AromaticContact CE2-CZ 3.53Å; Y17-Y68 VanDerWaalsContact CE2-OH 3.32Å; Y17-Y68 WeakPolarHBondContact CE2-OH 3.34Å; F64-Y68 HydrophobicContact CD2-CD2 4.41Å; F64-Y68 PolarHBondContact O-N 3.07Å; Y68-G71 PolarHBondContact O-N 3.41Å; Y68-K73 HydrophobicContact CD1-CB 4.46Å; Y68-K73 HydrophobicContact CE1-CB 4.23Å; Y68-A75 HydrophobicContact CD1-CB 4.35Å; Y68-A75 HydrophobicContact CE1-CB 4.3Å; Y68-I105 HydrophobicContact CD1-CD1 4.01Å; Y68-I105 HydrophobicContact CD2-CD1 4.45Å; Y68-I105 HydrophobicContact CG-CD1 3.86Å |
| 69 | Y | 96.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -68.7 | -38.4 | -177.6 | -175.2 | -105.9 | 0 | 0 | 0 | 112.8 | R44 F64 G71 F341 R343 T344 V345 P347 | R44-Y69 HydrophobicContact CB-CD1 3.85Å; R44-Y69 HydrophobicContact CB-CE1 3.76Å; R44-Y69 HydrophobicContact CB-CG 4.28Å; R44-Y69 WeakPolarHBondContact CD-OH 3.39Å; R44-Y69 HydrophobicContact CG-CD1 3.93Å; R44-Y69 HydrophobicContact CG-CD2 3.79Å; R44-Y69 HydrophobicContact CG-CE1 3.88Å; R44-Y69 HydrophobicContact CG-CE2 3.71Å; R44-Y69 HydrophobicContact CG-CG 3.89Å; F64-Y69 HydrophobicContact CE1-CD2 4.27Å; F64-Y69 HydrophobicContact CE1-CG 4.34Å; F64-Y69 PolarHBondContact O-N 3.35Å; Y69-G71 VanDerWaalsContact C-N 3.27Å; Y69-G71 PolarHBondContact O-N 3.04Å; Y69-F341 HydrophobicContact CD2-CE2 4.04Å; Y69-F341 AromaticContact CD2-CZ 3.7Å; Y69-F341 HydrophobicContact CD2-CZ 3.7Å; Y69-F341 HydrophobicContact CE2-CE2 4.02Å; Y69-F341 AromaticContact CE2-CZ 3.86Å; Y69-F341 HydrophobicContact CE2-CZ 3.86Å; Y69-R343 HydrophobicContact CE1-CB 4.29Å; Y69-R343 HydrophobicContact CE1-CG 4.08Å; Y69-R343 HydrophobicContact CE2-CB 4.46Å; Y69-R343 HydrophobicContact CE2-CG 4.2Å; Y69-R343 WeakPolarHBondContact O-CD 3.35Å; Y69-R343 WeakPolarHBondContact OH-CA 3.38Å; Y69-T344 PolarHBondContact OH-N 3.28Å; Y69-T344 VanDerWaalsContact OH-N 3.09Å; Y69-V345 HydrophobicContact CE1-CG2 4.47Å; Y69-V345 WeakPolarHBondContact CE1-O 3.18Å; Y69-V345 PolarHBondContact OH-N 2.89Å; Y69-V345 PolarHBondContact OH-O 3.43Å; Y69-P347 HydrophobicContact CD1-CB 4.06Å; Y69-P347 HydrophobicContact CE1-CB 4.42Å |
| 70 | S | 93.5 | Very high | 93.6 | Very high | 41 Ų | 41 | 40 Ų | 40 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -69.9 | -24.8 | 177.1 | 86.1 | 0 | 0 | 0 | 0 | 113.2 | Y65 K66 E72 | Y65-S70 WeakPolarHBondContact O-CB 3.31Å; Y65-S70 PolarHBondContact O-N 2.54Å; K66-S70 WeakPolarHBondContact O-CB 3.27Å; K66-S70 PolarHBondContact O-OG 3.39Å; S70-E72 PolarHBondContact OG-N 2.78Å |
| 71 | G | 92.5 | Very high | 94.1 | Very high | 50 Ų | 50 | 36.8 Ų | 36.8 | 52% | 0.515 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 92.9 | 9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y68 Y69 K73 | Y68-G71 PolarHBondContact O-N 3.41Å; Y69-G71 VanDerWaalsContact C-N 3.27Å; Y69-G71 PolarHBondContact O-N 3.04Å; G71-K73 PolarHBondContact O-N 2.86Å |
| 72 | E | 92.1 | Very high | 94.6 | Very high | 113 Ų | 113 | 35.7 Ų | 35.7 | 53% | 0.528 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -57.8 | -37.3 | 175.8 | -173.1 | 179 | 151.3 | 0 | 0 | 112.5 | K66 S70 | K66-E72 WeakPolarHBondContact CE-OE2 3.24Å; K66-E72 WeakPolarHBondContact CG-OE2 3.11Å; K66-E72 WeakPolarHBondContact O-CB 3.31Å; S70-E72 PolarHBondContact OG-N 2.78Å |
| 73 | K | 93.4 | Very high | 94.9 | Very high | 85 Ų | 85 | 32.9 Ų | 32.9 | 37% | 0.37 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -131 | 152.7 | 175.3 | -55.1 | -176.6 | -172.8 | 174.5 | 0 | 110.1 | D14 S67 Y68 G71 | D14-K73 IonicContact OD1-NZ 2.75Å; D14-K73 PolarHBondContact OD1-NZ 2.87Å; D14-K73 IonicContact OD2-NZ 3.55Å; S67-K73 CarbonylContact O-C 3.26Å; S67-K73 VanDerWaalsContact O-CA 3.3Å; S67-K73 WeakPolarHBondContact O-CA 3.4Å; S67-K73 VanDerWaalsContact O-CB 3.28Å; S67-K73 WeakPolarHBondContact O-CB 3.33Å; S67-K73 PolarHBondContact O-N 2.84Å; S67-K73 VanDerWaalsContact O-O 3.06Å; Y68-K73 HydrophobicContact CD1-CB 4.46Å; Y68-K73 HydrophobicContact CE1-CB 4.23Å; G71-K73 PolarHBondContact O-N 2.86Å |
| 74 | K | 94.1 | Very high | 95.3 | Very high | 121 Ų | 121 | 31.3 Ų | 31.3 | 53% | 0.526 | 17% | 0.169 | S | C | . | . | trans | -101.1 | 140.3 | 162.7 | -177.9 | 172.2 | -178.6 | 174.3 | 0 | 108.1 | P103 N104 | K74-P103 HydrophobicContact CG-CB 4.21Å; K74-N104 HydrophobicContact CG-CB 4.21Å | ||
| 75 | A | 96.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | trans | -59 | 127.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | Y17 Y68 V77 N104 I105 | Y17-A75 HydrophobicContact CE1-CB 4.28Å; Y17-A75 HydrophobicContact CE2-CB 4.22Å; Y17-A75 VanDerWaalsContact OH-CB 3.3Å; Y17-A75 WeakPolarHBondContact OH-CB 3.49Å; Y68-A75 HydrophobicContact CD1-CB 4.35Å; Y68-A75 HydrophobicContact CE1-CB 4.3Å; A75-V77 PolarHBondContact O-N 3.27Å; A75-N104 HydrophobicContact CB-CB 4.18Å; A75-N104 PolarHBondContact O-ND2 3.45Å; A75-I105 HydrophobicContact CB-CD1 4Å; A75-I105 HydrophobicContact CB-CG1 3.61Å | ||
| 76 | P | 96.5 | Very high | 95.5 | Very high | 84 Ų | 84 | 31.1 Ų | 31.1 | 55% | 0.545 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -74.1 | -16.4 | -172.3 | 29.1 | -35.7 | 0 | 0 | 0 | 113.5 | Y17 | Y17-P76 HydrophobicContact CD1-CG 3.64Å; Y17-P76 HydrophobicContact CD2-CG 4.47Å; Y17-P76 HydrophobicContact CE1-CG 4.32Å; Y17-P76 HydrophobicContact CG-CG 3.73Å |
| 77 | V | 96.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 5% | 0.048 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -128.1 | 143.2 | 177.1 | -177.7 | 0 | 0 | 0 | 0 | 107 | I20 V31 L34 A75 T79 N104 | I20-V77 HydrophobicContact CG2-CG2 4.18Å; V31-V77 HydrophobicContact CG1-CG1 4Å; L34-V77 HydrophobicContact CB-CG1 4.25Å; A75-V77 PolarHBondContact O-N 3.27Å; V77-T79 PolarHBondContact O-N 2.94Å; V77-T79 PolarHBondContact O-OG1 2.79Å; V77-N104 PolarHBondContact O-ND2 3.04Å |
| 78 | L | 97.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | trans | -59.7 | 123.8 | 171.9 | 174.4 | 63.3 | 0 | 0 | 0 | 108.5 | L33 L34 W100 N104 Y116 L279 | L33-L78 WeakPolarHBondContact CA-O 3.39Å; L33-L78 HydrophobicContact CD1-CB 4.14Å; L33-L78 HydrophobicContact CD1-CD2 3.81Å; L33-L78 HydrophobicContact CD1-CG 3.75Å; L33-L78 WeakPolarHBondContact CD1-O 3.4Å; L34-L78 PolarHBondContact N-O 3.3Å; L78-W100 HydrophobicContact CD1-CH2 3.84Å; L78-W100 HydrophobicContact CD1-CZ3 3.74Å; L78-N104 VanDerWaalsContact CA-OD1 3.32Å; L78-N104 WeakPolarHBondContact CA-OD1 3.37Å; L78-N104 WeakPolarHBondContact CB-OD1 3.04Å; L78-N104 VanDerWaalsContact CD1-OD1 3.31Å; L78-N104 WeakPolarHBondContact CD1-OD1 3.28Å; L78-N104 PolarHBondContact N-ND2 2.65Å; L78-Y116 HydrophobicContact CD2-CD2 3.75Å; L78-Y116 HydrophobicContact CD2-CE1 4.49Å; L78-Y116 HydrophobicContact CD2-CE2 3.52Å; L78-Y116 HydrophobicContact CD2-CG 4.34Å; L78-L279 HydrophobicContact CD2-CB 4.34Å | ||
| 79 | T | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.8 | -176 | -60.5 | 0 | 0 | 0 | 0 | 109.5 | Y17 L34 F40 V77 N104 I105 Y106 | Y17-T79 WeakPolarHBondContact CE1-OG1 3.41Å; Y17-T79 PolarHBondContact OH-OG1 2.89Å; L34-T79 HydrophobicContact CB-CG2 4.33Å; L34-T79 HydrophobicContact CD2-CG2 3.89Å; L34-T79 HydrophobicContact CG-CG2 4.04Å; L34-T79 CarbonylContact O-C 3.57Å; L34-T79 WeakPolarHBondContact O-CA 3.45Å; F40-T79 HydrophobicContact CE2-CG2 4.16Å; V77-T79 PolarHBondContact O-N 2.94Å; V77-T79 PolarHBondContact O-OG1 2.79Å; T79-N104 PolarHBondContact N-O 3.47Å; T79-I105 HydrophobicContact CG2-CG2 4.32Å; T79-I105 CarbonylContact O-C 3.51Å; T79-I105 WeakPolarHBondContact O-CA 3.47Å; T79-Y106 PolarHBondContact O-N 2.94Å |
| 80 | I | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.3 | 171.4 | -60 | 168.8 | 0 | 0 | 0 | 107.9 | L33 L34 L35 C36 Y106 L108 V114 I121 L279 | L33-I80 HydrophobicContact CD1-CD1 3.74Å; L33-I80 HydrophobicContact CD1-CG1 4Å; L33-I80 HydrophobicContact CD2-CD1 4.35Å; L34-I80 PolarHBondContact O-N 3.36Å; L35-I80 WeakPolarHBondContact CA-O 3.48Å; L35-I80 HydrophobicContact CD2-CB 3.83Å; L35-I80 HydrophobicContact CD2-CD1 4.35Å; L35-I80 HydrophobicContact CD2-CG2 4.41Å; C36-I80 PolarHBondContact N-O 2.91Å; I80-Y106 WeakPolarHBondContact CA-O 3.41Å; I80-L108 HydrophobicContact CG2-CD1 4.08Å; I80-V114 HydrophobicContact CD1-CG2 4.12Å; I80-I121 HydrophobicContact CD1-CD1 4.13Å; I80-L279 HydrophobicContact CD1-CD1 3.68Å; I80-L279 HydrophobicContact CD1-CD2 4.45Å; I80-L279 HydrophobicContact CG1-CD2 4.48Å |
| 81 | F | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 156.3 | 177.8 | 78.1 | -79.3 | 0 | 0 | 0 | 112.8 | C36 F40 L92 V101 I105 Y106 Y107 L108 | C36-F81 HydrophobicContact CB-CB 3.65Å; C36-F81 WeakPolarHBondContact O-CA 3.35Å; F40-F81 HydrophobicContact CB-CD2 3.4Å; F40-F81 HydrophobicContact CB-CE2 3.69Å; F40-F81 HydrophobicContact CB-CG 4.12Å; F40-F81 HydrophobicContact CD1-CD1 4.46Å; F40-F81 HydrophobicContact CD1-CD2 4.08Å; F40-F81 HydrophobicContact CD1-CE1 4.28Å; F40-F81 AromaticContact CD1-CE2 3.88Å; F40-F81 HydrophobicContact CD1-CE2 3.88Å; F40-F81 HydrophobicContact CD1-CG 4.36Å; F40-F81 AromaticContact CD1-CZ 3.97Å; F40-F81 HydrophobicContact CD1-CZ 3.97Å; F40-F81 HydrophobicContact CD2-CB 3.72Å; F40-F81 HydrophobicContact CD2-CD1 4.08Å; F40-F81 AromaticContact CD2-CD2 3.8Å; F40-F81 HydrophobicContact CD2-CD2 3.8Å; F40-F81 HydrophobicContact CD2-CE2 4.43Å; F40-F81 AromaticContact CD2-CG 3.6Å; F40-F81 HydrophobicContact CD2-CG 3.6Å; F40-F81 HydrophobicContact CE1-CD1 4.48Å; F40-F81 HydrophobicContact CE1-CE1 4.28Å; F40-F81 HydrophobicContact CE1-CZ 4.35Å; F40-F81 HydrophobicContact CE2-CB 4.19Å; F40-F81 HydrophobicContact CE2-CD1 4.08Å; F40-F81 HydrophobicContact CE2-CG 4.05Å; F40-F81 HydrophobicContact CG-CB 4.31Å; F40-F81 HydrophobicContact CG-CD1 4.26Å; F40-F81 AromaticContact CG-CD2 3.48Å; F40-F81 HydrophobicContact CG-CD2 3.48Å; F40-F81 VanDerWaalsContact CG-CD2 3.48Å; F40-F81 HydrophobicContact CG-CE1 4.48Å; F40-F81 AromaticContact CG-CE2 3.75Å; F40-F81 HydrophobicContact CG-CE2 3.75Å; F40-F81 AromaticContact CG-CG 3.77Å; F40-F81 HydrophobicContact CG-CG 3.77Å; F40-F81 HydrophobicContact CG-CZ 4.23Å; F40-F81 HydrophobicContact CZ-CD1 4.3Å; F40-F81 HydrophobicContact CZ-CE1 4.47Å; F81-L92 HydrophobicContact CE2-CD1 4.48Å; F81-L92 HydrophobicContact CE2-CD2 3.93Å; F81-L92 HydrophobicContact CZ-CD2 3.91Å; F81-V101 HydrophobicContact CE1-CG1 4.18Å; F81-V101 HydrophobicContact CE1-CG2 3.6Å; F81-V101 HydrophobicContact CZ-CG1 4Å; F81-V101 HydrophobicContact CZ-CG2 4Å; F81-I105 HydrophobicContact CD1-CG2 4.04Å; F81-I105 HydrophobicContact CE1-CG2 4Å; F81-Y106 VanDerWaalsContact CD1-O 3.28Å; F81-Y106 WeakPolarHBondContact CD1-O 3.35Å; F81-Y106 PolarHBondContact N-O 3Å; F81-Y107 HydrophobicContact CD2-CD2 4.01Å; F81-Y107 VanDerWaalsContact CE1-CA 3.47Å; F81-Y107 HydrophobicContact CE1-CD2 4.32Å; F81-Y107 HydrophobicContact CE1-CG 4.34Å; F81-Y107 AromaticContact CE2-CD2 3.56Å; F81-Y107 HydrophobicContact CE2-CD2 3.56Å; F81-Y107 HydrophobicContact CE2-CE2 4.32Å; F81-Y107 HydrophobicContact CE2-CG 4.15Å; F81-Y107 VanDerWaalsContact CZ-CB 3.48Å; F81-Y107 AromaticContact CZ-CD2 3.75Å; F81-Y107 HydrophobicContact CZ-CD2 3.75Å; F81-Y107 AromaticContact CZ-CG 3.86Å; F81-Y107 HydrophobicContact CZ-CG 3.86Å; F81-L108 PolarHBondContact O-N 2.84Å |
| 82 | I | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -108.8 | 162.4 | 166.8 | 58 | 168.4 | 0 | 0 | 0 | 109.2 | C36 G38 L108 M173 S174 H175 | C36-I82 PolarHBondContact O-N 3.5Å; G38-I82 VanDerWaalsContact CA-O 3.22Å; G38-I82 WeakPolarHBondContact CA-O 3.32Å; I82-L108 HydrophobicContact CG2-CB 4.05Å; I82-L108 HydrophobicContact CG2-CD2 3.93Å; I82-M173 HydrophobicContact CD1-CB 3.84Å; I82-M173 HydrophobicContact CG1-CB 4.38Å; I82-M173 HydrophobicContact CG1-CE 4.34Å; I82-M173 HydrophobicContact CG2-CB 4.18Å; I82-S174 VanDerWaalsContact CD1-CA 3.43Å; I82-H175 HydrophobicContact CD1-CB 4.49Å | ||
| 83 | G | 98.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 17 Ų | 17 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | trans | -79.9 | 146.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E87 S125 G126 | G83-E87 WeakPolarHBondContact CA-OE1 3.25Å; G83-S125 PolarHBondContact N-OG 2.84Å; G83-G126 PolarHBondContact O-N 3.23Å | ||
| 84 | G | 97.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | trans | -103.5 | -146.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D39 E87 Y152 H175 | D39-G84 WeakPolarHBondContact OD1-CA 3.38Å; G84-E87 PolarHBondContact N-OE1 2.82Å; G84-Y152 WeakPolarHBondContact O-CB 3.35Å; G84-H175 VanDerWaalsContact CA-CG 3.49Å | ||
| 85 | N | 96.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 7.2 Ų | 7.2 | 1% | 0.011 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -98.1 | -18.2 | 175.8 | 58.6 | -84.9 | 0 | 0 | 0 | 113.3 | D39 I127 Y152 H175 H227 | D39-N85 PolarHBondContact OD1-N 3.26Å; D39-N85 PolarHBondContact OD1-OD1 2.85Å; N85-I127 HydrophobicContact CB-CD1 4.03Å; N85-I127 HydrophobicContact CB-CG1 4.37Å; N85-I127 HydrophobicContact CB-CG2 4.23Å; N85-Y152 HydrophobicContact CB-CD2 3.76Å; N85-Y152 HydrophobicContact CB-CE2 3.66Å; N85-Y152 HydrophobicContact CB-CG 4.34Å; N85-Y152 WeakPolarHBondContact O-CE1 3.24Å; N85-H175 PolarHBondContact OD1-NE2 3.42Å; N85-H227 PolarHBondContact OD1-CE1 2.77Å; N85-H227 PolarHBondContact OD1-ND1 2.77Å |
| 86 | H | 95.1 | Very high | 97.3 | Very high | 16 Ų | 16 | 7.4 Ų | 7.4 | 7% | 0.074 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -104.3 | 79.6 | 174 | -59.4 | 135.4 | 0 | 0 | 0 | 110.6 | H10 D39 Q41 M52 V54 | H10-H86 AromaticContact CE1-ND1 3.43Å; H10-H86 PolarHBondContact CE1-ND1 3.44Å; D39-H86 HydrophobicContact CB-CB 4.33Å; D39-H86 PolarHBondContact OD1-N 3.49Å; D39-H86 IonicContact OD2-CE1 2.62Å; D39-H86 IonicContact OD2-CG 2.74Å; D39-H86 IonicContact OD2-ND1 2.75Å; D39-H86 PolarHBondContact OD2-ND1 3.16Å; Q41-H86 HydrophobicContact CG-CB 4.47Å; Q41-H86 WeakPolarHBondContact CG-O 3.49Å; M52-H86 HydrophobicContact SD-CB 4.43Å; V54-H86 HydrophobicContact CG2-CB 4.09Å; V54-H86 WeakPolarHBondContact CG2-CD2 3.39Å |
| 87 | E | 96.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 3.8 Ų | 3.8 | 1% | 0.009 | 2% | 0.021 | C | C | . | . | S | Bend | trans | -127.5 | 155 | -177.2 | -61.5 | -63.2 | 177.7 | 0 | 0 | 112.8 | D39 F40 Q41 M52 G83 G84 S89 L92 | D39-E87 VanDerWaalsContact CA-OE1 3.26Å; D39-E87 WeakPolarHBondContact CA-OE1 3.34Å; D39-E87 PolarHBondContact N-OE1 3.28Å; F40-E87 PolarHBondContact N-OE1 2.86Å; F40-E87 PolarHBondContact N-OE2 3.11Å; Q41-E87 PolarHBondContact N-OE2 3.4Å; M52-E87 VanDerWaalsContact CA-O 3.29Å; M52-E87 WeakPolarHBondContact CA-O 3.4Å; M52-E87 WeakPolarHBondContact CB-O 3.46Å; M52-E87 WeakPolarHBondContact CG-O 3.29Å; G83-E87 WeakPolarHBondContact CA-OE1 3.25Å; G84-E87 PolarHBondContact N-OE1 2.82Å; E87-S89 PolarHBondContact O-N 3.4Å; E87-S89 PolarHBondContact O-OG 3.48Å; E87-L92 HydrophobicContact CB-CD1 3.74Å; E87-L92 HydrophobicContact CG-CD1 3.7Å |
| 88 | A | 95.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.021 | C | C | . | . | trans | -70.8 | 75.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | V43 D48 N90 H91 L92 | V43-A88 HydrophobicContact CG2-CB 4.11Å; D48-A88 HydrophobicContact CB-CB 4Å; A88-N90 VanDerWaalsContact C-N 3.27Å; A88-N90 PolarHBondContact O-N 3.46Å; A88-H91 HydrophobicContact CB-CB 4.08Å; A88-H91 WeakPolarHBondContact O-CB 3.3Å; A88-H91 PolarHBondContact O-N 2.99Å; A88-L92 PolarHBondContact O-N 3.13Å; A88-L92 VanDerWaalsContact O-N 3.14Å | ||
| 89 | S | 96 | Very high | 97.5 | Very high | 4 Ų | 4 | 3 Ų | 3 | 3% | 0.028 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -57.5 | -41.2 | -167.6 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | E87 H91 L92 Q93 V151 | E87-S89 PolarHBondContact O-N 3.4Å; E87-S89 PolarHBondContact O-OG 3.48Å; S89-H91 VanDerWaalsContact C-N 3.28Å; S89-H91 PolarHBondContact O-N 2.92Å; S89-L92 PolarHBondContact O-N 2.97Å; S89-L92 VanDerWaalsContact O-N 3.15Å; S89-Q93 WeakPolarHBondContact O-CB 3.44Å; S89-Q93 VanDerWaalsContact O-CG 3.23Å; S89-Q93 WeakPolarHBondContact O-CG 3.41Å; S89-Q93 PolarHBondContact O-N 2.89Å; S89-V151 VanDerWaalsContact CB-CG1 3.44Å; S89-V151 WeakPolarHBondContact OG-CG1 3.38Å |
| 90 | N | 96.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -57.9 | -37.6 | 176.7 | 67 | -44.9 | 0 | 0 | 0 | 113.2 | D48 C51 A88 E94 P141 Y143 S360 | D48-N90 PolarHBondContact OD1-ND2 2.94Å; D48-N90 PolarHBondContact OD1-OD1 3.45Å; C51-N90 HydrophobicContact CB-CB 4.13Å; C51-N90 VanDerWaalsContact CB-OD1 3.29Å; C51-N90 WeakPolarHBondContact CB-OD1 3.21Å; A88-N90 VanDerWaalsContact C-N 3.27Å; A88-N90 PolarHBondContact O-N 3.46Å; N90-E94 VanDerWaalsContact O-CG 3.25Å; N90-E94 WeakPolarHBondContact O-CG 3.33Å; N90-P141 HydrophobicContact CB-CG 3.73Å; N90-Y143 WeakPolarHBondContact CA-OH 3.49Å; N90-Y143 HydrophobicContact CB-CE2 4.08Å; N90-Y143 WeakPolarHBondContact CB-OH 3.32Å; N90-Y143 PolarHBondContact N-OH 3.25Å; N90-S360 PolarHBondContact ND2-O 3.12Å |
| 91 | H | 97.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 3.5 Ų | 3.5 | 1% | 0.009 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -69.9 | -44.3 | 175.9 | -178.2 | -159.6 | 0 | 0 | 0 | 111.3 | A42 R44 A88 S89 Q93 E94 | A42-H91 PolarHBondContact O-ND1 3.32Å; R44-H91 VanDerWaalsContact CZ-CD2 3.43Å; R44-H91 VanDerWaalsContact CZ-CG 3.47Å; R44-H91 PolarHBondContact NH1-CD2 2.84Å; A88-H91 HydrophobicContact CB-CB 4.08Å; A88-H91 WeakPolarHBondContact O-CB 3.3Å; A88-H91 PolarHBondContact O-N 2.99Å; S89-H91 VanDerWaalsContact C-N 3.28Å; S89-H91 PolarHBondContact O-N 2.92Å; H91-Q93 VanDerWaalsContact C-N 3.32Å; H91-Q93 PolarHBondContact O-N 2.89Å; H91-E94 WeakPolarHBondContact O-CB 3.3Å; H91-E94 WeakPolarHBondContact O-CG 3.39Å; H91-E94 PolarHBondContact O-N 2.83Å |
| 92 | L | 97.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 3.5 Ų | 3.5 | 4% | 0.037 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -68.1 | -31.8 | 178.4 | -60.2 | -168.3 | 0 | 0 | 0 | 112.4 | A42 F81 E87 A88 S89 E94 L95 Y107 | A42-L92 HydrophobicContact CB-CD2 4.39Å; F81-L92 HydrophobicContact CE2-CD1 4.48Å; F81-L92 HydrophobicContact CE2-CD2 3.93Å; F81-L92 HydrophobicContact CZ-CD2 3.91Å; E87-L92 HydrophobicContact CB-CD1 3.74Å; E87-L92 HydrophobicContact CG-CD1 3.7Å; A88-L92 PolarHBondContact O-N 3.13Å; A88-L92 VanDerWaalsContact O-N 3.14Å; S89-L92 PolarHBondContact O-N 2.97Å; S89-L92 VanDerWaalsContact O-N 3.15Å; L92-E94 PolarHBondContact O-N 3.19Å; L92-L95 CarbonylContact O-C 3.58Å; L92-L95 PolarHBondContact O-N 2.79Å; L92-L95 VanDerWaalsContact O-N 3.08Å; L92-Y107 HydrophobicContact CB-CE1 3.89Å; L92-Y107 HydrophobicContact CD1-CE2 4.17Å; L92-Y107 HydrophobicContact CD2-CD1 4.16Å; L92-Y107 HydrophobicContact CD2-CD2 4.3Å; L92-Y107 HydrophobicContact CD2-CE1 4.28Å; L92-Y107 HydrophobicContact CD2-CE2 4.46Å; L92-Y107 HydrophobicContact CD2-CG 4.16Å; L92-Y107 WeakPolarHBondContact O-CE1 3.37Å |
| 93 | Q | 97.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 5.6 Ų | 5.6 | 1% | 0.014 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -65.1 | -22.1 | 174.5 | -69.7 | -166.9 | -79 | 0 | 0 | 112.9 | S89 H91 L95 P96 Y110 E139 Y143 V151 Y380 | S89-Q93 WeakPolarHBondContact O-CB 3.44Å; S89-Q93 VanDerWaalsContact O-CG 3.23Å; S89-Q93 WeakPolarHBondContact O-CG 3.41Å; S89-Q93 PolarHBondContact O-N 2.89Å; H91-Q93 VanDerWaalsContact C-N 3.32Å; H91-Q93 PolarHBondContact O-N 2.89Å; Q93-L95 PolarHBondContact O-N 2.82Å; Q93-P96 WeakPolarHBondContact O-CD 3.46Å; Q93-Y110 HydrophobicContact CG-CE1 4.36Å; Q93-Y110 VanDerWaalsContact CG-OH 3.3Å; Q93-Y110 WeakPolarHBondContact CG-OH 3.35Å; Q93-E139 PolarHBondContact NE2-O 2.89Å; Q93-E139 PolarHBondContact OE1-O 3.08Å; Q93-Y143 PolarHBondContact OE1-OH 3.16Å; Q93-V151 HydrophobicContact CG-CG2 3.71Å; Q93-Y380 HydrophobicContact CB-CD1 4.3Å; Q93-Y380 HydrophobicContact CB-CD2 3.64Å; Q93-Y380 HydrophobicContact CB-CE1 4.27Å; Q93-Y380 HydrophobicContact CB-CE2 3.63Å; Q93-Y380 HydrophobicContact CB-CG 3.98Å; Q93-Y380 HydrophobicContact CG-CD2 4.43Å; Q93-Y380 HydrophobicContact CG-CE2 4.31Å; Q93-Y380 WeakPolarHBondContact O-CB 3.21Å |
| 94 | E | 97.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 7.2 Ų | 7.2 | 1% | 0.009 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.4 | 173.9 | -39.4 | -179 | -179.9 | 0 | 0 | 112.2 | R44 N90 H91 L92 P96 T344 N362 N364 T367 Y380 | R44-E94 IonicContact CZ-OE1 2.63Å; R44-E94 VanDerWaalsContact CZ-OE1 3.28Å; R44-E94 IonicContact NH1-OE1 2.89Å; R44-E94 PolarHBondContact NH1-OE1 2.95Å; R44-E94 IonicContact NH1-OE2 3.9Å; R44-E94 PolarHBondContact NH1-OE2 2.92Å; R44-E94 VanDerWaalsContact NH1-OE2 3.08Å; R44-E94 IonicContact NH2-OE1 3.89Å; R44-E94 PolarHBondContact NH2-OE1 2.84Å; N90-E94 VanDerWaalsContact O-CG 3.25Å; N90-E94 WeakPolarHBondContact O-CG 3.33Å; H91-E94 WeakPolarHBondContact O-CB 3.3Å; H91-E94 WeakPolarHBondContact O-CG 3.39Å; H91-E94 PolarHBondContact O-N 2.83Å; L92-E94 PolarHBondContact O-N 3.19Å; E94-P96 VanDerWaalsContact C-CD 3.47Å; E94-T344 WeakPolarHBondContact OE2-CB 3.49Å; E94-T344 PolarHBondContact OE2-OG1 2.82Å; E94-N362 WeakPolarHBondContact CG-O 3.41Å; E94-N364 HydrophobicContact CB-CB 3.8Å; E94-N364 VanDerWaalsContact O-CB 3.26Å; E94-N364 WeakPolarHBondContact O-CB 3.4Å; E94-T367 WeakPolarHBondContact O-CB 3.43Å; E94-T367 PolarHBondContact O-OG1 3.23Å; E94-Y380 HydrophobicContact CG-CD1 4.45Å; E94-Y380 HydrophobicContact CG-CE1 4.06Å |
| 95 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.04 | C | C | . | . | trans | -127.1 | 56.6 | -173.9 | -65 | 173 | 0 | 0 | 0 | 112.1 | L92 Q93 Y97 G98 V101 Y107 G109 N364 Q366 | L92-L95 CarbonylContact O-C 3.58Å; L92-L95 PolarHBondContact O-N 2.79Å; L92-L95 VanDerWaalsContact O-N 3.08Å; Q93-L95 PolarHBondContact O-N 2.82Å; L95-Y97 PolarHBondContact O-N 3.08Å; L95-G98 PolarHBondContact O-N 3.23Å; L95-V101 HydrophobicContact CD1-CG1 3.75Å; L95-Y107 HydrophobicContact CB-CD1 3.89Å; L95-Y107 HydrophobicContact CB-CE1 4.43Å; L95-Y107 WeakPolarHBondContact O-CE1 3.39Å; L95-G109 WeakPolarHBondContact O-CA 3.44Å; L95-N364 HydrophobicContact CD2-CB 3.9Å; L95-N364 HydrophobicContact CG-CB 4.48Å; L95-Q366 HydrophobicContact CD2-CB 4.13Å | ||
| 96 | P | 97.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 7.2 Ų | 7.2 | 3% | 0.032 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -25.9 | -173.6 | 28.5 | -35.1 | 0 | 0 | 0 | 113.3 | Q93 E94 G109 Y110 T367 | Q93-P96 WeakPolarHBondContact O-CD 3.46Å; E94-P96 VanDerWaalsContact C-CD 3.47Å; P96-G109 WeakPolarHBondContact O-CA 3.38Å; P96-Y110 HydrophobicContact CB-CD2 3.83Å; P96-Y110 HydrophobicContact CB-CE2 3.61Å; P96-Y110 HydrophobicContact CB-CG 4.46Å; P96-Y110 PolarHBondContact O-N 3.01Å; P96-T367 HydrophobicContact CG-CG2 4.09Å |
| 97 | Y | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 6.7 Ų | 6.7 | 4% | 0.035 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 9 | 177.1 | -55.6 | -65 | 0 | 0 | 0 | 113.5 | L95 L289 Q296 T367 C371 L376 T377 | L95-Y97 PolarHBondContact O-N 3.08Å; Y97-L289 HydrophobicContact CD1-CD1 3.66Å; Y97-L289 HydrophobicContact CD1-CD2 4.28Å; Y97-L289 HydrophobicContact CE1-CD1 4.16Å; Y97-L289 HydrophobicContact CE1-CD2 4.21Å; Y97-L289 HydrophobicContact CG-CD1 4.5Å; Y97-Q296 PolarHBondContact OH-NE2 3.4Å; Y97-Q296 PolarHBondContact OH-OE1 2.8Å; Y97-T367 HydrophobicContact CD2-CG2 4.27Å; Y97-C371 VanDerWaalsContact CE2-SG 3.55Å; Y97-L376 HydrophobicContact CE1-CD1 4.44Å; Y97-L376 HydrophobicContact CE2-CB 4.4Å; Y97-T377 WeakPolarHBondContact CE2-O 3.36Å; Y97-T377 PolarHBondContact OH-O 2.62Å |
| 98 | G | 98.3 | Very high | 97.7 | Very high | 5 Ų | 5 | 6.7 Ų | 6.7 | 5% | 0.052 | 4% | 0.038 | C | C | . | . | trans | 86.2 | 162.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L95 Y107 | L95-G98 PolarHBondContact O-N 3.23Å; G98-Y107 CarbonylContact C-O 3.45Å; G98-Y107 WeakPolarHBondContact CA-O 3.21Å | ||
| 99 | G | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V101 Y106 Y107 | G99-V101 PolarHBondContact O-N 2.89Å; G99-Y106 VanDerWaalsContact CA-CE2 3.47Å; G99-Y107 PolarHBondContact N-O 3.49Å; G99-Y107 PolarHBondContact O-N 2.91Å |
| 100 | W | 98.6 | Very high | 98 | Very high | 11 Ų | 11 | 7.5 Ų | 7.5 | 4% | 0.042 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.6 | 178 | -55.7 | 103.6 | 0 | 0 | 0 | 110.4 | L78 I105 Y106 L279 I337 P338 F341 Q366 | L78-W100 HydrophobicContact CD1-CH2 3.84Å; L78-W100 HydrophobicContact CD1-CZ3 3.74Å; W100-I105 WeakPolarHBondContact CA-O 3.44Å; W100-Y106 AromaticContact CD2-CD2 3.78Å; W100-Y106 HydrophobicContact CD2-CD2 3.78Å; W100-Y106 AromaticContact CE2-CD2 3.85Å; W100-Y106 AromaticContact CE3-CD2 3.95Å; W100-Y106 HydrophobicContact CE3-CD2 3.95Å; W100-Y106 HydrophobicContact CE3-CG 4.4Å; W100-Y106 HydrophobicContact CG-CD2 4.28Å; W100-Y106 HydrophobicContact CH2-CD2 4.25Å; W100-Y106 HydrophobicContact CZ2-CD2 4.1Å; W100-Y106 HydrophobicContact CZ3-CD2 4.19Å; W100-Y106 HydrophobicContact CZ3-CG 4.4Å; W100-L279 HydrophobicContact CH2-CB 4.34Å; W100-L279 HydrophobicContact CH2-CD2 3.88Å; W100-L279 HydrophobicContact CZ2-CD2 4.26Å; W100-I337 HydrophobicContact CZ2-CB 4.31Å; W100-I337 HydrophobicContact CZ2-CG2 3.99Å; W100-P338 VanDerWaalsContact CD1-O 3.31Å; W100-P338 PolarHBondContact NE1-O 2.63Å; W100-F341 HydrophobicContact CB-CB 3.86Å; W100-F341 HydrophobicContact CB-CD2 4.46Å; W100-F341 WeakPolarHBondContact O-CD2 3.39Å; W100-Q366 PolarHBondContact O-NE2 2.62Å |
| 101 | V | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -17.7 | 171.9 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | F64 F81 L95 G99 I105 F341 | F64-V101 HydrophobicContact CE2-CG2 4.02Å; F64-V101 HydrophobicContact CZ-CB 4.01Å; F64-V101 HydrophobicContact CZ-CG2 3.84Å; F81-V101 HydrophobicContact CE1-CG1 4.18Å; F81-V101 HydrophobicContact CE1-CG2 3.6Å; F81-V101 HydrophobicContact CZ-CG1 4Å; F81-V101 HydrophobicContact CZ-CG2 4Å; L95-V101 HydrophobicContact CD1-CG1 3.75Å; G99-V101 PolarHBondContact O-N 2.89Å; V101-I105 HydrophobicContact CG2-CB 4.01Å; V101-I105 HydrophobicContact CG2-CG2 3.56Å; V101-I105 PolarHBondContact N-O 3.24Å; V101-F341 WeakPolarHBondContact O-CE2 3.21Å |
| 102 | A | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 166.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | F64 N104 I105 | F64-A102 HydrophobicContact CE2-CB 4.23Å; F64-A102 HydrophobicContact CZ-CB 4.3Å; A102-N104 PolarHBondContact O-N 2.95Å; A102-I105 HydrophobicContact CB-CB 4.29Å; A102-I105 HydrophobicContact CB-CD1 4.11Å; A102-I105 HydrophobicContact CB-CG1 4.33Å; A102-I105 PolarHBondContact O-N 2.73Å |
| 103 | P | 97.3 | Very high | 98.2 | Very high | 43 Ų | 43 | 7.4 Ų | 7.4 | 28% | 0.279 | 4% | 0.042 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 125.6 | 176 | -25 | 36.5 | 0 | 0 | 0 | 111.4 | K74 I105 F341 | K74-P103 HydrophobicContact CG-CB 4.21Å; P103-I105 VanDerWaalsContact C-N 3.27Å; P103-I105 PolarHBondContact O-N 2.89Å; P103-F341 HydrophobicContact CG-CD1 3.83Å; P103-F341 HydrophobicContact CG-CE1 4.37Å |
| 104 | N | 97.3 | Very high | 98.3 | Very high | 37 Ų | 37 | 7.5 Ų | 7.5 | 20% | 0.198 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 14.9 | -178.6 | -151.2 | 34.8 | 0 | 0 | 0 | 115.4 | K74 A75 V77 L78 T79 A102 | K74-N104 HydrophobicContact CG-CB 4.21Å; A75-N104 HydrophobicContact CB-CB 4.18Å; A75-N104 PolarHBondContact O-ND2 3.45Å; V77-N104 PolarHBondContact O-ND2 3.04Å; L78-N104 VanDerWaalsContact CA-OD1 3.32Å; L78-N104 WeakPolarHBondContact CA-OD1 3.37Å; L78-N104 WeakPolarHBondContact CB-OD1 3.04Å; L78-N104 VanDerWaalsContact CD1-OD1 3.31Å; L78-N104 WeakPolarHBondContact CD1-OD1 3.28Å; L78-N104 PolarHBondContact N-ND2 2.65Å; T79-N104 PolarHBondContact N-O 3.47Å; A102-N104 PolarHBondContact O-N 2.95Å |
| 105 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 111.1 | 173.4 | -51.1 | -176.6 | 0 | 0 | 0 | 109.3 | L13 F40 F64 Y68 A75 T79 F81 W100 V101 A102 P103 | L13-I105 HydrophobicContact CD1-CD1 4.49Å; F40-I105 HydrophobicContact CE1-CG2 4.17Å; F40-I105 HydrophobicContact CE2-CG2 4.26Å; F40-I105 HydrophobicContact CZ-CD1 4.39Å; F40-I105 HydrophobicContact CZ-CG2 3.55Å; F64-I105 HydrophobicContact CE2-CD1 4.32Å; Y68-I105 HydrophobicContact CD1-CD1 4.01Å; Y68-I105 HydrophobicContact CD2-CD1 4.45Å; Y68-I105 HydrophobicContact CG-CD1 3.86Å; A75-I105 HydrophobicContact CB-CD1 4Å; A75-I105 HydrophobicContact CB-CG1 3.61Å; T79-I105 HydrophobicContact CG2-CG2 4.32Å; T79-I105 CarbonylContact O-C 3.51Å; T79-I105 WeakPolarHBondContact O-CA 3.47Å; F81-I105 HydrophobicContact CD1-CG2 4.04Å; F81-I105 HydrophobicContact CE1-CG2 4Å; W100-I105 WeakPolarHBondContact CA-O 3.44Å; V101-I105 HydrophobicContact CG2-CB 4.01Å; V101-I105 HydrophobicContact CG2-CG2 3.56Å; V101-I105 PolarHBondContact N-O 3.24Å; A102-I105 HydrophobicContact CB-CB 4.29Å; A102-I105 HydrophobicContact CB-CD1 4.11Å; A102-I105 HydrophobicContact CB-CG1 4.33Å; A102-I105 PolarHBondContact O-N 2.73Å; P103-I105 VanDerWaalsContact C-N 3.27Å; P103-I105 PolarHBondContact O-N 2.89Å |
| 106 | Y | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 10.8 Ų | 10.8 | 1% | 0.012 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.6 | -174.6 | -169.1 | -95.7 | 0 | 0 | 0 | 111.6 | T79 I80 F81 G99 W100 L108 V114 L279 I337 | T79-Y106 PolarHBondContact O-N 2.94Å; I80-Y106 WeakPolarHBondContact CA-O 3.41Å; F81-Y106 VanDerWaalsContact CD1-O 3.28Å; F81-Y106 WeakPolarHBondContact CD1-O 3.35Å; F81-Y106 PolarHBondContact N-O 3Å; G99-Y106 VanDerWaalsContact CA-CE2 3.47Å; W100-Y106 AromaticContact CD2-CD2 3.78Å; W100-Y106 HydrophobicContact CD2-CD2 3.78Å; W100-Y106 AromaticContact CE2-CD2 3.85Å; W100-Y106 AromaticContact CE3-CD2 3.95Å; W100-Y106 HydrophobicContact CE3-CD2 3.95Å; W100-Y106 HydrophobicContact CE3-CG 4.4Å; W100-Y106 HydrophobicContact CG-CD2 4.28Å; W100-Y106 HydrophobicContact CH2-CD2 4.25Å; W100-Y106 HydrophobicContact CZ2-CD2 4.1Å; W100-Y106 HydrophobicContact CZ3-CD2 4.19Å; W100-Y106 HydrophobicContact CZ3-CG 4.4Å; Y106-L108 HydrophobicContact CE1-CD1 4.23Å; Y106-V114 HydrophobicContact CE1-CG1 3.93Å; Y106-L279 HydrophobicContact CD1-CD2 3.84Å; Y106-L279 HydrophobicContact CD2-CD2 3.87Å; Y106-L279 HydrophobicContact CE1-CD2 4.35Å; Y106-L279 HydrophobicContact CE2-CD2 4.39Å; Y106-L279 HydrophobicContact CG-CD2 3.58Å; Y106-I337 HydrophobicContact CD2-CG2 4.45Å; Y106-I337 HydrophobicContact CE1-CD1 4.32Å; Y106-I337 HydrophobicContact CE2-CD1 3.76Å; Y106-I337 HydrophobicContact CE2-CG2 3.81Å |
| 107 | Y | 98.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 11.5 Ų | 11.5 | 2% | 0.02 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 134.1 | 168.3 | 176.4 | -133.4 | 0 | 0 | 0 | 109.8 | F81 L92 L95 G98 G99 G109 | F81-Y107 HydrophobicContact CD2-CD2 4.01Å; F81-Y107 VanDerWaalsContact CE1-CA 3.47Å; F81-Y107 HydrophobicContact CE1-CD2 4.32Å; F81-Y107 HydrophobicContact CE1-CG 4.34Å; F81-Y107 AromaticContact CE2-CD2 3.56Å; F81-Y107 HydrophobicContact CE2-CD2 3.56Å; F81-Y107 HydrophobicContact CE2-CE2 4.32Å; F81-Y107 HydrophobicContact CE2-CG 4.15Å; F81-Y107 VanDerWaalsContact CZ-CB 3.48Å; F81-Y107 AromaticContact CZ-CD2 3.75Å; F81-Y107 HydrophobicContact CZ-CD2 3.75Å; F81-Y107 AromaticContact CZ-CG 3.86Å; F81-Y107 HydrophobicContact CZ-CG 3.86Å; L92-Y107 HydrophobicContact CB-CE1 3.89Å; L92-Y107 HydrophobicContact CD1-CE2 4.17Å; L92-Y107 HydrophobicContact CD2-CD1 4.16Å; L92-Y107 HydrophobicContact CD2-CD2 4.3Å; L92-Y107 HydrophobicContact CD2-CE1 4.28Å; L92-Y107 HydrophobicContact CD2-CE2 4.46Å; L92-Y107 HydrophobicContact CD2-CG 4.16Å; L92-Y107 WeakPolarHBondContact O-CE1 3.37Å; L95-Y107 HydrophobicContact CB-CD1 3.89Å; L95-Y107 HydrophobicContact CB-CE1 4.43Å; L95-Y107 WeakPolarHBondContact O-CE1 3.39Å; G98-Y107 CarbonylContact C-O 3.45Å; G98-Y107 WeakPolarHBondContact CA-O 3.21Å; G99-Y107 PolarHBondContact N-O 3.49Å; G99-Y107 PolarHBondContact O-N 2.91Å; Y107-G109 VanDerWaalsContact C-N 3.29Å; Y107-G109 VanDerWaalsContact CZ-O 3.28Å; Y107-G109 PolarHBondContact O-N 3.21Å; Y107-G109 VanDerWaalsContact OH-C 3.24Å; Y107-G109 PolarHBondContact OH-O 3.27Å; Y107-G109 VanDerWaalsContact OH-O 3.12Å |
| 108 | L | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | trans | -77.8 | -11.5 | -177.4 | -153.4 | 66.2 | 0 | 0 | 0 | 114.2 | I80 F81 I82 Y106 V114 G123 | I80-L108 HydrophobicContact CG2-CD1 4.08Å; F81-L108 PolarHBondContact O-N 2.84Å; I82-L108 HydrophobicContact CG2-CB 4.05Å; I82-L108 HydrophobicContact CG2-CD2 3.93Å; Y106-L108 HydrophobicContact CE1-CD1 4.23Å; L108-V114 HydrophobicContact CD1-CB 4.33Å; L108-V114 HydrophobicContact CD1-CG1 3.76Å; L108-V114 HydrophobicContact CD1-CG2 3.7Å; L108-G123 VanDerWaalsContact CD2-CA 3.5Å; L108-G123 VanDerWaalsContact CD2-N 3.28Å | ||
| 109 | G | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | 92.4 | -173.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L95 P96 Y107 A111 S125 | L95-G109 WeakPolarHBondContact O-CA 3.44Å; P96-G109 WeakPolarHBondContact O-CA 3.38Å; Y107-G109 VanDerWaalsContact C-N 3.29Å; Y107-G109 VanDerWaalsContact CZ-O 3.28Å; Y107-G109 PolarHBondContact O-N 3.21Å; Y107-G109 VanDerWaalsContact OH-C 3.24Å; Y107-G109 PolarHBondContact OH-O 3.27Å; Y107-G109 VanDerWaalsContact OH-O 3.12Å; G109-A111 PolarHBondContact O-N 3.18Å; G109-S125 WeakPolarHBondContact O-CB 3.22Å; G109-S125 PolarHBondContact O-OG 3.22Å | ||
| 110 | Y | 98.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 12.2 Ų | 12.2 | 8% | 0.082 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -59.3 | -37.7 | 174.7 | -62.3 | -29.1 | 0 | 0 | 0 | 111.5 | Q93 P96 S125 H137 | Q93-Y110 HydrophobicContact CG-CE1 4.36Å; Q93-Y110 VanDerWaalsContact CG-OH 3.3Å; Q93-Y110 WeakPolarHBondContact CG-OH 3.35Å; P96-Y110 HydrophobicContact CB-CD2 3.83Å; P96-Y110 HydrophobicContact CB-CE2 3.61Å; P96-Y110 HydrophobicContact CB-CG 4.46Å; P96-Y110 PolarHBondContact O-N 3.01Å; Y110-S125 WeakPolarHBondContact O-CB 3.27Å; Y110-S125 PolarHBondContact O-N 3.12Å; Y110-H137 AromaticContact CD2-CD2 3.77Å; Y110-H137 AromaticContact CD2-CE1 3.94Å; Y110-H137 AromaticContact CD2-NE2 3.51Å; Y110-H137 HydrophobicContact CE2-CB 4.47Å; Y110-H137 AromaticContact CE2-CD2 3.67Å; Y110-H137 AromaticContact CE2-CE1 3.94Å; Y110-H137 AromaticContact CE2-CG 3.8Å; Y110-H137 AromaticContact CE2-NE2 3.77Å |
| 111 | A | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 3% | 0.033 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 154.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | G109 G123 L124 E158 L162 W285 | G109-A111 PolarHBondContact O-N 3.18Å; A111-G123 VanDerWaalsContact CA-O 3.25Å; A111-G123 WeakPolarHBondContact CA-O 3.36Å; A111-L124 HydrophobicContact CB-CD1 4.11Å; A111-E158 HydrophobicContact CB-CB 3.85Å; A111-E158 HydrophobicContact CB-CG 3.84Å; A111-L162 HydrophobicContact CB-CD1 3.85Å; A111-L162 HydrophobicContact CB-CD2 4.5Å; A111-L162 HydrophobicContact CB-CG 4.2Å; A111-W285 HydrophobicContact CB-CH2 4.12Å; A111-W285 HydrophobicContact CB-CZ2 4.37Å; A111-W285 WeakPolarHBondContact O-CZ2 3.49Å |
| 112 | G | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 161.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G122 G123 | G112-G122 CarbonylContact O-C 3.56Å; G112-G122 VanDerWaalsContact O-CA 3.27Å; G112-G122 WeakPolarHBondContact O-CA 3.37Å; G112-G123 PolarHBondContact N-O 2.99Å; G112-G123 VanDerWaalsContact N-O 3.13Å; G112-G123 PolarHBondContact O-N 3.1Å |
| 113 | V | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.012 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 129.8 | 166.6 | -169.9 | 0 | 0 | 0 | 0 | 108.6 | I121 L162 D282 W285 | V113-I121 VanDerWaalsContact CA-O 3.31Å; V113-I121 WeakPolarHBondContact CA-O 3.14Å; V113-L162 HydrophobicContact CG2-CD2 4.27Å; V113-D282 HydrophobicContact CB-CB 4.1Å; V113-D282 HydrophobicContact CG1-CB 4.03Å; V113-D282 VanDerWaalsContact O-CB 3.29Å; V113-D282 WeakPolarHBondContact O-CB 3.43Å; V113-W285 HydrophobicContact CB-CB 3.86Å; V113-W285 HydrophobicContact CB-CG 4.07Å; V113-W285 HydrophobicContact CG2-CB 4.19Å; V113-W285 HydrophobicContact CG2-CD2 4.19Å; V113-W285 HydrophobicContact CG2-CE3 4.15Å; V113-W285 HydrophobicContact CG2-CG 4.21Å |
| 114 | V | 98.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 9.7 Ų | 9.7 | 2% | 0.024 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 165 | 176.5 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | I80 Y106 L108 I121 L279 E280 I337 | I80-V114 HydrophobicContact CD1-CG2 4.12Å; Y106-V114 HydrophobicContact CE1-CG1 3.93Å; L108-V114 HydrophobicContact CD1-CB 4.33Å; L108-V114 HydrophobicContact CD1-CG1 3.76Å; L108-V114 HydrophobicContact CD1-CG2 3.7Å; V114-I121 HydrophobicContact CG2-CB 4.15Å; V114-I121 PolarHBondContact N-O 2.96Å; V114-I121 PolarHBondContact O-N 3.05Å; V114-L279 HydrophobicContact CB-CD1 4.04Å; V114-L279 HydrophobicContact CG2-CD1 3.85Å; V114-E280 WeakPolarHBondContact CA-O 3.32Å; V114-I337 HydrophobicContact CG1-CD1 4.12Å |
| 115 | R | 97.1 | Very high | 97.5 | Very high | 55 Ų | 55 | 8.4 Ų | 8.4 | 21% | 0.208 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135 | 177.4 | -69.5 | 179.6 | -58.5 | 150.9 | 15.3 | 110.1 | V119 R120 E280 Y281 D282 | R115-V119 WeakPolarHBondContact CA-O 3.46Å; R115-R120 HydrophobicContact CG-CG 3.84Å; R115-E280 HydrophobicContact CB-CB 4.09Å; R115-E280 IonicContact CZ-OE2 2.87Å; R115-E280 PolarHBondContact N-O 3.06Å; R115-E280 IonicContact NE-OE2 3.98Å; R115-E280 IonicContact NH2-OE2 3.71Å; R115-E280 PolarHBondContact NH2-OE2 2.81Å; R115-E280 PolarHBondContact O-N 2.86Å; R115-Y281 PolarHBondContact NE-O 3.37Å; R115-Y281 VanDerWaalsContact NE-O 3.11Å; R115-Y281 PolarHBondContact NH2-O 3.22Å; R115-D282 HydrophobicContact CG-CB 4.43Å |
| 116 | Y | 95.8 | Very high | 97.5 | Very high | 16 Ų | 16 | 8.6 Ų | 8.6 | 6% | 0.063 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 125.1 | 174.2 | -179 | -113.2 | 0 | 0 | 0 | 109.7 | M1 D32 L33 L78 G118 V119 E277 | M1-Y116 HydrophobicContact CE-CD1 3.95Å; M1-Y116 HydrophobicContact CE-CE1 4.35Å; M1-Y116 HydrophobicContact SD-CD1 3.61Å; M1-Y116 HydrophobicContact SD-CE1 3.49Å; M1-Y116 WeakPolarHBondContact SD-CE1 3.2Å; D32-Y116 HydrophobicContact CB-CE1 4.38Å; D32-Y116 PolarHBondContact O-OH 2.94Å; L33-Y116 HydrophobicContact CB-CD1 4.28Å; L33-Y116 HydrophobicContact CB-CE1 3.92Å; L33-Y116 HydrophobicContact CD1-CD1 4.21Å; L33-Y116 HydrophobicContact CD1-CE1 4.24Å; L33-Y116 HydrophobicContact CD2-CD1 3.99Å; L33-Y116 HydrophobicContact CD2-CE1 4.46Å; L33-Y116 HydrophobicContact CG-CD1 4.41Å; L33-Y116 HydrophobicContact CG-CE1 4.45Å; L78-Y116 HydrophobicContact CD2-CD2 3.75Å; L78-Y116 HydrophobicContact CD2-CE1 4.49Å; L78-Y116 HydrophobicContact CD2-CE2 3.52Å; L78-Y116 HydrophobicContact CD2-CG 4.34Å; Y116-G118 PolarHBondContact O-N 2.89Å; Y116-G118 VanDerWaalsContact O-N 3.09Å; Y116-V119 PolarHBondContact N-O 3.01Å; Y116-V119 WeakPolarHBondContact O-CB 3.34Å; Y116-V119 PolarHBondContact O-N 3.34Å; Y116-E277 WeakPolarHBondContact CE2-O 3.44Å |
| 117 | K | 92.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 8.6 Ų | 8.6 | 9% | 0.091 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 39.1 | -175.6 | -58.4 | -165.9 | -177.5 | -163.9 | 0 | 114.2 | M1 D32 V119 R272 S275 E277 | M1-K117 HydrophobicContact SD-CB 3.96Å; M1-K117 HydrophobicContact SD-CD 3.76Å; M1-K117 HydrophobicContact SD-CG 4.12Å; D32-K117 IonicContact OD1-NZ 2.81Å; D32-K117 PolarHBondContact OD1-NZ 3.35Å; K117-V119 PolarHBondContact O-N 3.49Å; K117-R272 PolarHBondContact O-N 3.08Å; K117-S275 WeakPolarHBondContact CA-OG 3.4Å; K117-S275 PolarHBondContact O-OG 3.35Å; K117-E277 VanDerWaalsContact CE-CD 3.42Å; K117-E277 WeakPolarHBondContact CE-OE1 3.48Å; K117-E277 WeakPolarHBondContact CE-OE2 3.33Å; K117-E277 IonicContact NZ-OE1 2.77Å; K117-E277 PolarHBondContact NZ-OE1 3.28Å; K117-E277 IonicContact NZ-OE2 2.77Å; K117-E277 PolarHBondContact NZ-OE2 3.03Å |
| 118 | G | 90.6 | Very high | 97.5 | Very high | 21 Ų | 21 | 11.1 Ų | 11.1 | 22% | 0.216 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -0.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y116 R272 S275 | Y116-G118 PolarHBondContact O-N 2.89Å; Y116-G118 VanDerWaalsContact O-N 3.09Å; G118-R272 WeakPolarHBondContact O-CD 3.49Å; G118-R272 PolarHBondContact O-NE 3.22Å; G118-R272 PolarHBondContact O-NH1 3.4Å; G118-S275 VanDerWaalsContact N-CB 3.3Å |
| 119 | V | 94.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.012 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.1 | 173.8 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | M1 R115 Y116 K117 I121 D170 I171 I269 | M1-V119 HydrophobicContact CE-CB 4.41Å; M1-V119 HydrophobicContact CE-CG2 3.93Å; R115-V119 WeakPolarHBondContact CA-O 3.46Å; Y116-V119 PolarHBondContact N-O 3.01Å; Y116-V119 WeakPolarHBondContact O-CB 3.34Å; Y116-V119 PolarHBondContact O-N 3.34Å; K117-V119 PolarHBondContact O-N 3.49Å; V119-I121 HydrophobicContact CG1-CG1 4.04Å; V119-D170 HydrophobicContact CG1-CB 3.66Å; V119-I171 HydrophobicContact CG1-CD1 3.82Å; V119-I171 HydrophobicContact CG1-CG1 4.01Å; V119-I269 HydrophobicContact CG2-CG2 4.29Å |
| 120 | R | 97.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 120.9 | 173 | -71.9 | -177.9 | 80.4 | -141.3 | 14.7 | 110.6 | R115 M167 P168 D170 I171 D282 E284 | R115-R120 HydrophobicContact CG-CG 3.84Å; R120-M167 PolarHBondContact NH1-O 2.85Å; R120-P168 WeakPolarHBondContact CD-O 3.36Å; R120-P168 PolarHBondContact NH1-O 3.43Å; R120-D170 PolarHBondContact N-OD2 2.76Å; R120-D170 PolarHBondContact O-N 3.03Å; R120-I171 PolarHBondContact O-N 3.2Å; R120-D282 IonicContact CZ-OD1 3.11Å; R120-D282 IonicContact CZ-OD2 3.57Å; R120-D282 IonicContact NE-OD1 3.62Å; R120-D282 IonicContact NE-OD2 3.82Å; R120-D282 PolarHBondContact NE-OD2 3.09Å; R120-D282 VanDerWaalsContact NH2-CG 3.32Å; R120-D282 IonicContact NH2-OD1 2.7Å; R120-D282 PolarHBondContact NH2-OD1 2.78Å; R120-D282 IonicContact NH2-OD2 2.73Å; R120-D282 PolarHBondContact NH2-OD2 3.42Å; R120-D282 VanDerWaalsContact NH2-OD2 3.13Å; R120-E284 IonicContact CZ-OE2 3.36Å; R120-E284 IonicContact NH1-OE2 2.69Å; R120-E284 IonicContact NH2-OE2 3.43Å; R120-E284 PolarHBondContact NH2-OE2 2.86Å |
| 121 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 110.3 | -174.8 | -52 | 174.7 | 0 | 0 | 0 | 107.7 | L33 L35 I80 V113 V114 V119 I171 M173 | L33-I121 HydrophobicContact CD2-CD1 3.59Å; L35-I121 HydrophobicContact CD2-CD1 4.41Å; L35-I121 HydrophobicContact CD2-CG2 4.39Å; I80-I121 HydrophobicContact CD1-CD1 4.13Å; V113-I121 VanDerWaalsContact CA-O 3.31Å; V113-I121 WeakPolarHBondContact CA-O 3.14Å; V114-I121 HydrophobicContact CG2-CB 4.15Å; V114-I121 PolarHBondContact N-O 2.96Å; V114-I121 PolarHBondContact O-N 3.05Å; V119-I121 HydrophobicContact CG1-CG1 4.04Å; I121-I171 CarbonylContact C-O 3.57Å; I121-I171 WeakPolarHBondContact CA-O 3.36Å; I121-I171 HydrophobicContact CG1-CB 4.4Å; I121-I171 HydrophobicContact CG1-CD1 4.25Å; I121-I171 HydrophobicContact CG2-CB 4.36Å; I121-I171 HydrophobicContact CG2-CG2 4.41Å; I121-M173 HydrophobicContact CG2-SD 4.23Å |
| 122 | G | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 159.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G112 I171 F172 M173 | G112-G122 CarbonylContact O-C 3.56Å; G112-G122 VanDerWaalsContact O-CA 3.27Å; G112-G122 WeakPolarHBondContact O-CA 3.37Å; G122-I171 PolarHBondContact N-O 2.97Å; G122-F172 CarbonylContact O-C 3.59Å; G122-F172 VanDerWaalsContact O-CA 3.28Å; G122-F172 WeakPolarHBondContact O-CA 3.49Å; G122-M173 PolarHBondContact O-N 3.2Å |
| 123 | G | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 160.8 | 171 | 0 | 0 | 0 | 0 | 0 | 114.4 | L108 A111 G112 M173 | L108-G123 VanDerWaalsContact CD2-CA 3.5Å; L108-G123 VanDerWaalsContact CD2-N 3.28Å; A111-G123 VanDerWaalsContact CA-O 3.25Å; A111-G123 WeakPolarHBondContact CA-O 3.36Å; G112-G123 PolarHBondContact N-O 2.99Å; G112-G123 VanDerWaalsContact N-O 3.13Å; G112-G123 PolarHBondContact O-N 3.1Å; G123-M173 CarbonylContact C-O 3.58Å; G123-M173 WeakPolarHBondContact CA-O 3.22Å |
| 124 | L | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 116.2 | 179.8 | 179.8 | 65.6 | 0 | 0 | 0 | 108.8 | A111 I154 E158 V159 L162 F172 M173 L214 | A111-L124 HydrophobicContact CB-CD1 4.11Å; L124-I154 HydrophobicContact CD1-CG2 4.23Å; L124-I154 HydrophobicContact CD2-CD1 3.78Å; L124-I154 HydrophobicContact CD2-CG1 4.21Å; L124-I154 HydrophobicContact CD2-CG2 4.01Å; L124-I154 HydrophobicContact CG-CD1 4.11Å; L124-I154 HydrophobicContact CG-CG1 4.17Å; L124-I154 HydrophobicContact CG-CG2 4.42Å; L124-E158 HydrophobicContact CD1-CB 3.88Å; L124-V159 HydrophobicContact CD2-CG2 4.3Å; L124-L162 HydrophobicContact CB-CD1 4.32Å; L124-L162 HydrophobicContact CD1-CD1 4.17Å; L124-F172 HydrophobicContact CB-CE1 4.08Å; L124-F172 HydrophobicContact CB-CZ 4.15Å; L124-M173 PolarHBondContact N-O 3.16Å; L124-L214 HydrophobicContact CD2-CD1 3.69Å |
| 125 | S | 98.8 | Very high | 97 | Very high | 11 Ų | 11 | 31 Ų | 31 | 8% | 0.077 | 15% | 0.148 | C | C | . | . | trans | -84.3 | 147.3 | -179.2 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | G83 G109 Y110 I154 | G83-S125 PolarHBondContact N-OG 2.84Å; G109-S125 WeakPolarHBondContact O-CB 3.22Å; G109-S125 PolarHBondContact O-OG 3.22Å; Y110-S125 WeakPolarHBondContact O-CB 3.27Å; Y110-S125 PolarHBondContact O-N 3.12Å; S125-I154 WeakPolarHBondContact O-CG1 3.39Å | ||
| 126 | G | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 97.1 | -171.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G83 Y152 | G83-G126 PolarHBondContact O-N 3.23Å; G126-Y152 CarbonylContact C-O 3.23Å; G126-Y152 WeakPolarHBondContact CA-O 3.39Å |
| 127 | I | 98.2 | Very high | 97 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -120.5 | 153.1 | 176.4 | 65.7 | 170.1 | 0 | 0 | 0 | 111.8 | N85 Y152 H153 I154 D176 D421 | N85-I127 HydrophobicContact CB-CD1 4.03Å; N85-I127 HydrophobicContact CB-CG1 4.37Å; N85-I127 HydrophobicContact CB-CG2 4.23Å; I127-Y152 HydrophobicContact CD1-CD2 4.34Å; I127-Y152 HydrophobicContact CD1-CE2 3.86Å; I127-Y152 HydrophobicContact CG1-CD2 3.9Å; I127-Y152 HydrophobicContact CG1-CE2 3.91Å; I127-Y152 PolarHBondContact N-O 3.31Å; I127-Y152 VanDerWaalsContact N-O 3.08Å; I127-H153 CarbonylContact O-C 3.51Å; I127-H153 VanDerWaalsContact O-CA 3.22Å; I127-H153 WeakPolarHBondContact O-CA 3.31Å; I127-I154 PolarHBondContact O-N 3Å; I127-D176 VanDerWaalsContact CA-OD2 3.31Å; I127-D176 WeakPolarHBondContact CA-OD2 3.44Å; I127-D176 HydrophobicContact CG2-CB 4.32Å; I127-D421 HydrophobicContact CD1-CB 3.91Å |
| 128 | Y | 98.1 | Very high | 97.1 | Very high | 58 Ų | 58 | 29.3 Ų | 29.3 | 23% | 0.227 | 15% | 0.145 | C | C | . | . | trans | -81.2 | 126 | -179.2 | 178.6 | -90.6 | 0 | 0 | 0 | 112.4 | Y133 D176 S208 P209 A210 | Y128-Y133 AromaticContact CD2-CD2 3.86Å; Y128-Y133 HydrophobicContact CD2-CD2 3.86Å; Y128-Y133 HydrophobicContact CD2-CE2 4.27Å; Y128-Y133 HydrophobicContact CD2-CG 4.24Å; Y128-Y133 AromaticContact CE2-CD1 3.92Å; Y128-Y133 HydrophobicContact CE2-CD1 3.92Å; Y128-Y133 AromaticContact CE2-CD2 3.59Å; Y128-Y133 HydrophobicContact CE2-CD2 3.59Å; Y128-Y133 HydrophobicContact CE2-CE1 4.32Å; Y128-Y133 HydrophobicContact CE2-CE2 4.03Å; Y128-Y133 AromaticContact CE2-CG 3.53Å; Y128-Y133 HydrophobicContact CE2-CG 3.53Å; Y128-D176 PolarHBondContact N-OD2 2.81Å; Y128-S208 WeakPolarHBondContact CB-OG 3.26Å; Y128-P209 VanDerWaalsContact CD1-CD 3.46Å; Y128-P209 HydrophobicContact CD1-CG 4.15Å; Y128-P209 HydrophobicContact CE1-CG 3.8Å; Y128-A210 HydrophobicContact CD2-CB 3.82Å; Y128-A210 HydrophobicContact CE2-CB 4.3Å | ||
| 129 | K | 97.5 | Very high | 97.3 | Very high | 54 Ų | 54 | 28.3 Ų | 28.3 | 24% | 0.235 | 14% | 0.135 | C | C | . | . | trans | -132.9 | 122.1 | 164.8 | -62.1 | -66.7 | 165.3 | 158.2 | 0 | 110.6 | H131 D132 Y133 H153 D421 | K129-H131 VanDerWaalsContact C-N 3.26Å; K129-H131 PolarHBondContact O-N 3.34Å; K129-D132 PolarHBondContact O-N 3.31Å; K129-D132 VanDerWaalsContact O-N 3.15Å; K129-Y133 PolarHBondContact O-N 3.44Å; K129-H153 HydrophobicContact CB-CB 4.43Å; K129-H153 VanDerWaalsContact CG-CE1 3.49Å; K129-H153 WeakPolarHBondContact CG-CE1 3.05Å; K129-H153 WeakPolarHBondContact CG-NE2 3.37Å; K129-D421 WeakPolarHBondContact CE-OD1 3.47Å; K129-D421 IonicContact NZ-OD1 2.64Å; K129-D421 PolarHBondContact NZ-OD1 3.39Å | ||
| 130 | S | 96.1 | Very high | 97.3 | Very high | 85 Ų | 85 | 31.2 Ų | 31.2 | 59% | 0.594 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.3 | -171.8 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | D132 | S130-D132 VanDerWaalsContact C-N 3.34Š|
| 131 | H | 96.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 31.2 Ų | 31.2 | 46% | 0.458 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -22.9 | -177.3 | 57.5 | -94 | 0 | 0 | 0 | 113.6 | K129 K135 | K129-H131 VanDerWaalsContact C-N 3.26Å; K129-H131 PolarHBondContact O-N 3.34Å; H131-K135 WeakPolarHBondContact O-CE 3.28Å |
| 132 | D | 97.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -19.4 | 177.7 | -69.9 | -24.6 | 0 | 0 | 0 | 113.4 | K129 S130 R134 K135 S150 H153 R155 | K129-D132 PolarHBondContact O-N 3.31Å; K129-D132 VanDerWaalsContact O-N 3.15Å; S130-D132 VanDerWaalsContact C-N 3.34Å; D132-R134 PolarHBondContact O-N 2.92Å; D132-K135 HydrophobicContact CB-CD 4.49Å; D132-K135 WeakPolarHBondContact O-CB 3.23Å; D132-K135 PolarHBondContact O-N 2.98Å; D132-K135 WeakPolarHBondContact OD1-CD 3.21Å; D132-K135 VanDerWaalsContact OD1-CE 3.24Å; D132-K135 WeakPolarHBondContact OD1-CE 3.35Å; D132-K135 IonicContact OD1-NZ 3.21Å; D132-K135 PolarHBondContact OD1-NZ 3.44Å; D132-S150 WeakPolarHBondContact OD2-CB 3.4Å; D132-H153 HydrophobicContact CB-CB 4.04Å; D132-H153 IonicContact OD2-CE1 3.49Å; D132-H153 PolarHBondContact OD2-CE1 3.28Å; D132-H153 IonicContact OD2-CG 2.88Å; D132-H153 IonicContact OD2-ND1 2.7Å; D132-H153 PolarHBondContact OD2-ND1 3.28Å; D132-R155 VanDerWaalsContact O-CD 3.26Å; D132-R155 WeakPolarHBondContact O-CD 3.28Å |
| 133 | Y | 98.1 | Very high | 96.6 | Very high | 31 Ų | 31 | 38.1 Ų | 38.1 | 12% | 0.122 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -33.3 | -176 | -175.9 | -120.3 | 0 | 0 | 0 | 114.4 | Y128 K129 I154 R155 N156 V159 A210 | Y128-Y133 AromaticContact CD2-CD2 3.86Å; Y128-Y133 HydrophobicContact CD2-CD2 3.86Å; Y128-Y133 HydrophobicContact CD2-CE2 4.27Å; Y128-Y133 HydrophobicContact CD2-CG 4.24Å; Y128-Y133 AromaticContact CE2-CD1 3.92Å; Y128-Y133 HydrophobicContact CE2-CD1 3.92Å; Y128-Y133 AromaticContact CE2-CD2 3.59Å; Y128-Y133 HydrophobicContact CE2-CD2 3.59Å; Y128-Y133 HydrophobicContact CE2-CE1 4.32Å; Y128-Y133 HydrophobicContact CE2-CE2 4.03Å; Y128-Y133 AromaticContact CE2-CG 3.53Å; Y128-Y133 HydrophobicContact CE2-CG 3.53Å; K129-Y133 PolarHBondContact O-N 3.44Å; Y133-I154 WeakPolarHBondContact CA-O 3.45Å; Y133-I154 HydrophobicContact CD2-CG2 4.2Å; Y133-I154 HydrophobicContact CE2-CG2 4.02Å; Y133-R155 CarbonylContact O-C 3.55Å; Y133-N156 HydrophobicContact CD1-CB 4.02Å; Y133-N156 HydrophobicContact CD2-CB 4.29Å; Y133-N156 HydrophobicContact CE1-CB 3.63Å; Y133-N156 VanDerWaalsContact CE2-CA 3.49Å; Y133-N156 HydrophobicContact CE2-CB 3.91Å; Y133-N156 HydrophobicContact CG-CB 4.34Å; Y133-N156 WeakPolarHBondContact O-CB 3.42Å; Y133-N156 VanDerWaalsContact O-CG 3.25Å; Y133-N156 PolarHBondContact O-N 2.89Å; Y133-N156 PolarHBondContact O-OD1 2.91Å; Y133-V159 HydrophobicContact CE2-CG2 3.9Å; Y133-A210 HydrophobicContact CE2-CB 3.89Å |
| 134 | R | 97.5 | Very high | 96.3 | Very high | 127 Ų | 127 | 41.8 Ų | 41.8 | 48% | 0.479 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 5.6 | -179.5 | -64.9 | -177.4 | 175.6 | 177.8 | -2.3 | 114.3 | D132 R302 W303 N304 | D132-R134 PolarHBondContact O-N 2.92Å; R134-R302 HydrophobicContact CB-CB 4.37Å; R134-R302 HydrophobicContact CB-CG 4.46Å; R134-R302 CarbonylContact O-C 3.51Å; R134-R302 VanDerWaalsContact O-CA 3.29Å; R134-R302 WeakPolarHBondContact O-CA 3.49Å; R134-W303 PolarHBondContact O-N 3.38Å; R134-W303 VanDerWaalsContact O-O 3.13Å; R134-N304 WeakPolarHBondContact CD-OD1 3.22Å; R134-N304 PolarHBondContact NE-OD1 3.07Å; R134-N304 VanDerWaalsContact NE-OD1 3.16Å |
| 135 | K | 97.3 | Very high | 96 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 22% | 0.222 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -89.5 | 161.9 | 179.4 | -59.6 | -175.8 | -178.8 | 166.7 | 0 | 110.7 | H131 D132 R155 P300 | H131-K135 WeakPolarHBondContact O-CE 3.28Å; D132-K135 HydrophobicContact CB-CD 4.49Å; D132-K135 WeakPolarHBondContact O-CB 3.23Å; D132-K135 PolarHBondContact O-N 2.98Å; D132-K135 WeakPolarHBondContact OD1-CD 3.21Å; D132-K135 VanDerWaalsContact OD1-CE 3.24Å; D132-K135 WeakPolarHBondContact OD1-CE 3.35Å; D132-K135 IonicContact OD1-NZ 3.21Å; D132-K135 PolarHBondContact OD1-NZ 3.44Å; K135-R155 WeakPolarHBondContact O-CD 3.3Å; K135-P300 HydrophobicContact CD-CB 4.49Å; K135-P300 WeakPolarHBondContact CG-O 3.23Å |
| 136 | G | 96.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | trans | -78.7 | 165.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H138 V297 T299 | G136-H138 PolarHBondContact O-N 3.49Å; G136-H138 PolarHBondContact O-ND1 2.86Å; G136-V297 WeakPolarHBondContact CA-O 3.29Å; G136-T299 VanDerWaalsContact CA-O 3.24Å; G136-T299 WeakPolarHBondContact CA-O 3.42Å; G136-T299 PolarHBondContact N-O 3.43Å | ||
| 137 | H | 95.7 | Very high | 95.7 | Very high | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.065 | 26% | 0.263 | C | S | . | . | trans | -73.6 | 114.7 | 167.6 | -69.5 | -69.5 | 0 | 0 | 0 | 108.6 | Y110 R155 E158 V297 T298 V379 V383 | Y110-H137 AromaticContact CD2-CD2 3.77Å; Y110-H137 AromaticContact CD2-CE1 3.94Å; Y110-H137 AromaticContact CD2-NE2 3.51Å; Y110-H137 HydrophobicContact CE2-CB 4.47Å; Y110-H137 AromaticContact CE2-CD2 3.67Å; Y110-H137 AromaticContact CE2-CE1 3.94Å; Y110-H137 AromaticContact CE2-CG 3.8Å; Y110-H137 AromaticContact CE2-NE2 3.77Å; H137-R155 VanDerWaalsContact CE1-CG 3.49Å; H137-R155 WeakPolarHBondContact CE1-CG 3.46Å; H137-R155 WeakPolarHBondContact NE2-CG 3.5Å; H137-E158 IonicContact CD2-OE2 2.88Å; H137-E158 IonicContact NE2-OE2 3.97Å; H137-E158 PolarHBondContact NE2-OE2 3.25Å; H137-V297 PolarHBondContact N-O 3.27Å; H137-T298 CarbonylContact O-C 3.51Å; H137-T298 VanDerWaalsContact O-C 3.23Å; H137-T298 WeakPolarHBondContact O-CA 3.3Å; H137-V379 HydrophobicContact CB-CG1 4.03Å; H137-V383 WeakPolarHBondContact O-CG2 3.33Å | ||
| 138 | H | 95.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 17% | 0.171 | 27% | 0.269 | C | S | . | . | trans | -135.2 | -4.6 | -173.4 | 64 | -76.9 | 0 | 0 | 0 | 112.4 | G136 V383 | G136-H138 PolarHBondContact O-N 3.49Å; G136-H138 PolarHBondContact O-ND1 2.86Å; H138-V383 VanDerWaalsContact O-CG1 3.31Å; H138-V383 WeakPolarHBondContact O-CG1 3.26Å | ||
| 139 | E | 96.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | trans | -76.6 | 134.5 | -178.1 | -58.2 | 81.7 | 176.8 | 0 | 0 | 110 | Q93 Y143 T147 S150 V151 R155 | Q93-E139 PolarHBondContact NE2-O 2.89Å; Q93-E139 PolarHBondContact OE1-O 3.08Å; E139-Y143 HydrophobicContact CB-CD1 4.27Å; E139-Y143 HydrophobicContact CB-CE1 3.96Å; E139-T147 HydrophobicContact CG-CG2 4.03Å; E139-S150 VanDerWaalsContact CG-OG 3.27Å; E139-S150 WeakPolarHBondContact CG-OG 3.19Å; E139-S150 VanDerWaalsContact OE1-CB 3.3Å; E139-S150 WeakPolarHBondContact OE1-CB 3.22Å; E139-S150 PolarHBondContact OE1-OG 3.27Å; E139-V151 HydrophobicContact CB-CB 3.94Å; E139-V151 HydrophobicContact CB-CG2 4.12Å; E139-V151 HydrophobicContact CG-CB 4.06Å; E139-R155 IonicContact OE1-CZ 3.88Å; E139-R155 IonicContact OE1-NH2 2.89Å; E139-R155 PolarHBondContact OE1-NH2 3.36Å; E139-R155 IonicContact OE2-NH2 2.67Å | ||
| 140 | F | 94.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 52 Ų | 52 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | trans | -153.6 | 156.9 | 170.3 | 67.1 | -76.5 | 0 | 0 | 0 | 109.6 | P142 Y380 V383 | F140-P142 CarbonylContact O-C 3.6Å; F140-Y380 HydrophobicContact CB-CE2 4.11Å; F140-V383 HydrophobicContact CB-CG1 3.93Å; F140-V383 HydrophobicContact CD1-CG1 3.53Å; F140-V383 HydrophobicContact CE1-CG1 4.45Å; F140-V383 HydrophobicContact CG-CG1 4.04Å | ||
| 141 | P | 93.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -63.9 | 142.6 | 176 | -20.2 | 31.3 | 0 | 0 | 0 | 112.8 | N90 Y143 P359 Y380 | N90-P141 HydrophobicContact CB-CG 3.73Å; P141-Y143 HydrophobicContact CB-CE2 4.17Å; P141-Y143 WeakPolarHBondContact CD-OH 3.34Å; P141-Y143 HydrophobicContact CG-CD2 4.46Å; P141-Y143 HydrophobicContact CG-CE2 3.64Å; P141-P359 HydrophobicContact CB-CB 3.74Å; P141-Y380 WeakPolarHBondContact CD-OH 3.5Å |
| 142 | P | 93 | Very high | 95.4 | Very high | 111 Ų | 111 | 44.1 Ų | 44.1 | 72% | 0.721 | 22% | 0.218 | S | C | * | . | S | Bend | cis | -76.7 | 131.5 | -1.8 | 30.8 | -33.8 | 0 | 0 | 0 | 112.4 | F140 | F140-P142 CarbonylContact O-C 3.6Š|
| 143 | Y | 93.1 | Very high | 95.5 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 13% | 0.129 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -78.5 | 142.2 | 176.7 | -53.1 | -78.8 | 0 | 0 | 0 | 111.7 | C51 N90 Q93 E139 P141 T147 L148 V151 | C51-Y143 HydrophobicContact CB-CD2 4.13Å; C51-Y143 HydrophobicContact CB-CE2 3.72Å; N90-Y143 WeakPolarHBondContact CA-OH 3.49Å; N90-Y143 HydrophobicContact CB-CE2 4.08Å; N90-Y143 WeakPolarHBondContact CB-OH 3.32Å; N90-Y143 PolarHBondContact N-OH 3.25Å; Q93-Y143 PolarHBondContact OE1-OH 3.16Å; E139-Y143 HydrophobicContact CB-CD1 4.27Å; E139-Y143 HydrophobicContact CB-CE1 3.96Å; P141-Y143 HydrophobicContact CB-CE2 4.17Å; P141-Y143 WeakPolarHBondContact CD-OH 3.34Å; P141-Y143 HydrophobicContact CG-CD2 4.46Å; P141-Y143 HydrophobicContact CG-CE2 3.64Å; Y143-T147 WeakPolarHBondContact CA-OG1 3.41Å; Y143-L148 HydrophobicContact CD2-CD1 4.12Å; Y143-L148 HydrophobicContact CG-CD1 4.28Å; Y143-V151 HydrophobicContact CE1-CB 4.47Å; Y143-V151 HydrophobicContact CE1-CG2 4.33Å |
| 144 | N | 93.6 | Very high | 95.5 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -87.3 | 170.8 | 159.7 | 67.8 | 15.5 | 0 | 0 | 0 | 110.2 | E146 T147 L148 | N144-E146 VanDerWaalsContact CG-OE2 3.28Å; N144-E146 PolarHBondContact O-N 2.77Å; N144-E146 VanDerWaalsContact O-N 3.16Å; N144-E146 PolarHBondContact OD1-N 3.43Å; N144-E146 PolarHBondContact OD1-OE2 2.87Å; N144-T147 PolarHBondContact N-OG1 3.4Å; N144-T147 PolarHBondContact O-N 3.25Å; N144-T147 PolarHBondContact O-OG1 3.11Å; N144-T147 WeakPolarHBondContact OD1-CB 3.28Å; N144-T147 WeakPolarHBondContact OD1-CG2 3.26Å; N144-T147 PolarHBondContact OD1-N 2.92Å; N144-T147 PolarHBondContact OD1-OG1 2.72Å; N144-L148 VanDerWaalsContact O-CB 3.25Å; N144-L148 WeakPolarHBondContact O-CB 3.32Å; N144-L148 PolarHBondContact O-N 2.93Å |
| 145 | P | 92.3 | Very high | 95.5 | Very high | 85 Ų | 85 | 37 Ų | 37 | 55% | 0.552 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -54.8 | -33.8 | -178.7 | -28.2 | 37.3 | 0 | 0 | 0 | 114.6 | ||
| 146 | E | 94.2 | Very high | 95.5 | Very high | 124 Ų | 124 | 35 Ų | 35 | 58% | 0.579 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -71.9 | -50.6 | 178.9 | -61.8 | 72.7 | -157.1 | 0 | 0 | 111.6 | N144 L148 R149 S150 | N144-E146 VanDerWaalsContact CG-OE2 3.28Å; N144-E146 PolarHBondContact O-N 2.77Å; N144-E146 VanDerWaalsContact O-N 3.16Å; N144-E146 PolarHBondContact OD1-N 3.43Å; N144-E146 PolarHBondContact OD1-OE2 2.87Å; E146-L148 VanDerWaalsContact C-N 3.32Å; E146-L148 PolarHBondContact O-N 2.89Å; E146-R149 PolarHBondContact O-N 3.13Å; E146-R149 VanDerWaalsContact O-N 3.08Å; E146-S150 PolarHBondContact O-N 2.84Å; E146-S150 PolarHBondContact O-OG 2.92Å |
| 147 | T | 95.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 14% | 0.135 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.7 | -27.5 | -178.8 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | E139 Y143 N144 R149 S150 V151 | E139-T147 HydrophobicContact CG-CG2 4.03Å; Y143-T147 WeakPolarHBondContact CA-OG1 3.41Å; N144-T147 PolarHBondContact N-OG1 3.4Å; N144-T147 PolarHBondContact O-N 3.25Å; N144-T147 PolarHBondContact O-OG1 3.11Å; N144-T147 WeakPolarHBondContact OD1-CB 3.28Å; N144-T147 WeakPolarHBondContact OD1-CG2 3.26Å; N144-T147 PolarHBondContact OD1-N 2.92Å; N144-T147 PolarHBondContact OD1-OG1 2.72Å; T147-R149 PolarHBondContact O-N 3.32Å; T147-S150 WeakPolarHBondContact CA-OG 3.45Å; T147-V151 WeakPolarHBondContact O-CB 3.29Å; T147-V151 WeakPolarHBondContact O-CG1 3.32Å; T147-V151 PolarHBondContact O-N 3.38Å |
| 148 | L | 95 | Very high | 95.7 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 14% | 0.141 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.2 | -28.4 | 170.6 | -170 | 72 | 0 | 0 | 0 | 111.6 | C51 A53 Y143 N144 E146 V151 Y152 | C51-L148 VanDerWaalsContact C-CD1 3.42Å; C51-L148 WeakPolarHBondContact O-CD1 3.29Å; A53-L148 HydrophobicContact CB-CD2 4.45Å; A53-L148 HydrophobicContact CB-CG 4.22Å; Y143-L148 HydrophobicContact CD2-CD1 4.12Å; Y143-L148 HydrophobicContact CG-CD1 4.28Å; N144-L148 VanDerWaalsContact O-CB 3.25Å; N144-L148 WeakPolarHBondContact O-CB 3.32Å; N144-L148 PolarHBondContact O-N 2.93Å; E146-L148 VanDerWaalsContact C-N 3.32Å; E146-L148 PolarHBondContact O-N 2.89Å; L148-V151 WeakPolarHBondContact O-CG1 3.4Å; L148-Y152 WeakPolarHBondContact O-CE1 3.4Å |
| 149 | R | 95.1 | Very high | 95.9 | Very high | 82 Ų | 82 | 33.5 Ų | 33.5 | 31% | 0.309 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -92 | -48.9 | 175.8 | -63 | -178.1 | -178.2 | 153.3 | 1.9 | 112.1 | A53 E146 T147 V151 Y152 H153 N419 P420 | A53-R149 HydrophobicContact CB-CG 4.49Å; E146-R149 PolarHBondContact O-N 3.13Å; E146-R149 VanDerWaalsContact O-N 3.08Å; T147-R149 PolarHBondContact O-N 3.32Å; R149-V151 PolarHBondContact O-N 3.46Å; R149-V151 VanDerWaalsContact O-N 3.09Å; R149-Y152 VanDerWaalsContact CA-CE1 3.46Å; R149-Y152 WeakPolarHBondContact CA-OH 3.48Å; R149-Y152 HydrophobicContact CB-CE1 4.34Å; R149-Y152 WeakPolarHBondContact CB-OH 3.07Å; R149-Y152 WeakPolarHBondContact CG-OH 3.33Å; R149-Y152 WeakPolarHBondContact O-CD1 3.31Å; R149-Y152 WeakPolarHBondContact O-CD2 3.26Å; R149-Y152 VanDerWaalsContact O-CE1 3.28Å; R149-Y152 WeakPolarHBondContact O-CE1 3.14Å; R149-Y152 WeakPolarHBondContact O-CE2 3.36Å; R149-Y152 VanDerWaalsContact O-CZ 3.27Å; R149-Y152 PolarHBondContact O-N 3Å; R149-H153 PolarHBondContact O-CD2 2.93Å; R149-H153 PolarHBondContact O-NE2 2.93Å; R149-N419 PolarHBondContact NE-OD1 2.74Å; R149-P420 VanDerWaalsContact NH2-CD 3.34Å |
| 150 | S | 97 | Very high | 96 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -24.9 | -173.7 | 70.7 | 0 | 0 | 0 | 0 | 113.4 | D132 E139 E146 T147 Y152 H153 R155 | D132-S150 WeakPolarHBondContact OD2-CB 3.4Å; E139-S150 VanDerWaalsContact CG-OG 3.27Å; E139-S150 WeakPolarHBondContact CG-OG 3.19Å; E139-S150 VanDerWaalsContact OE1-CB 3.3Å; E139-S150 WeakPolarHBondContact OE1-CB 3.22Å; E139-S150 PolarHBondContact OE1-OG 3.27Å; E146-S150 PolarHBondContact O-N 2.84Å; E146-S150 PolarHBondContact O-OG 2.92Å; T147-S150 WeakPolarHBondContact CA-OG 3.45Å; S150-Y152 VanDerWaalsContact C-N 3.28Å; S150-Y152 PolarHBondContact O-N 2.83Å; S150-H153 PolarHBondContact O-N 2.95Å; S150-R155 VanDerWaalsContact O-CZ 3.3Å; S150-R155 PolarHBondContact O-NH1 3.03Å; S150-R155 PolarHBondContact O-NH2 3.01Å |
| 151 | V | 97.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -33.6 | 178.8 | 66.2 | 0 | 0 | 0 | 0 | 114.2 | S89 Q93 E139 Y143 T147 L148 R149 | S89-V151 VanDerWaalsContact CB-CG1 3.44Å; S89-V151 WeakPolarHBondContact OG-CG1 3.38Å; Q93-V151 HydrophobicContact CG-CG2 3.71Å; E139-V151 HydrophobicContact CB-CB 3.94Å; E139-V151 HydrophobicContact CB-CG2 4.12Å; E139-V151 HydrophobicContact CG-CB 4.06Å; Y143-V151 HydrophobicContact CE1-CB 4.47Å; Y143-V151 HydrophobicContact CE1-CG2 4.33Å; T147-V151 WeakPolarHBondContact O-CB 3.29Å; T147-V151 WeakPolarHBondContact O-CG1 3.32Å; T147-V151 PolarHBondContact O-N 3.38Å; L148-V151 WeakPolarHBondContact O-CG1 3.4Å; R149-V151 PolarHBondContact O-N 3.46Å; R149-V151 VanDerWaalsContact O-N 3.09Å |
| 152 | Y | 97.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 31.5 Ų | 31.5 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 5.3 | 177.8 | 59.1 | -106.9 | 0 | 0 | 0 | 112.9 | A53 G84 N85 G126 I127 L148 R149 S150 D421 | A53-Y152 HydrophobicContact CB-CE1 3.48Å; A53-Y152 VanDerWaalsContact CB-CE1 3.48Å; G84-Y152 WeakPolarHBondContact O-CB 3.35Å; N85-Y152 HydrophobicContact CB-CD2 3.76Å; N85-Y152 HydrophobicContact CB-CE2 3.66Å; N85-Y152 HydrophobicContact CB-CG 4.34Å; N85-Y152 WeakPolarHBondContact O-CE1 3.24Å; G126-Y152 CarbonylContact C-O 3.23Å; G126-Y152 WeakPolarHBondContact CA-O 3.39Å; I127-Y152 HydrophobicContact CD1-CD2 4.34Å; I127-Y152 HydrophobicContact CD1-CE2 3.86Å; I127-Y152 HydrophobicContact CG1-CD2 3.9Å; I127-Y152 HydrophobicContact CG1-CE2 3.91Å; I127-Y152 PolarHBondContact N-O 3.31Å; I127-Y152 VanDerWaalsContact N-O 3.08Å; L148-Y152 WeakPolarHBondContact O-CE1 3.4Å; R149-Y152 VanDerWaalsContact CA-CE1 3.46Å; R149-Y152 WeakPolarHBondContact CA-OH 3.48Å; R149-Y152 HydrophobicContact CB-CE1 4.34Å; R149-Y152 WeakPolarHBondContact CB-OH 3.07Å; R149-Y152 WeakPolarHBondContact CG-OH 3.33Å; R149-Y152 WeakPolarHBondContact O-CD1 3.31Å; R149-Y152 WeakPolarHBondContact O-CD2 3.26Å; R149-Y152 VanDerWaalsContact O-CE1 3.28Å; R149-Y152 WeakPolarHBondContact O-CE1 3.14Å; R149-Y152 WeakPolarHBondContact O-CE2 3.36Å; R149-Y152 VanDerWaalsContact O-CZ 3.27Å; R149-Y152 PolarHBondContact O-N 3Å; S150-Y152 VanDerWaalsContact C-N 3.28Å; S150-Y152 PolarHBondContact O-N 2.83Å; Y152-D421 PolarHBondContact OH-OD2 3.32Å |
| 153 | H | 98.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -76.2 | 139.9 | 175 | -62.6 | 159.5 | 0 | 0 | 0 | 110.9 | I127 K129 D132 R149 S150 R155 D421 | I127-H153 CarbonylContact O-C 3.51Å; I127-H153 VanDerWaalsContact O-CA 3.22Å; I127-H153 WeakPolarHBondContact O-CA 3.31Å; K129-H153 HydrophobicContact CB-CB 4.43Å; K129-H153 VanDerWaalsContact CG-CE1 3.49Å; K129-H153 WeakPolarHBondContact CG-CE1 3.05Å; K129-H153 WeakPolarHBondContact CG-NE2 3.37Å; D132-H153 HydrophobicContact CB-CB 4.04Å; D132-H153 IonicContact OD2-CE1 3.49Å; D132-H153 PolarHBondContact OD2-CE1 3.28Å; D132-H153 IonicContact OD2-CG 2.88Å; D132-H153 IonicContact OD2-ND1 2.7Å; D132-H153 PolarHBondContact OD2-ND1 3.28Å; R149-H153 PolarHBondContact O-CD2 2.93Å; R149-H153 PolarHBondContact O-NE2 2.93Å; S150-H153 PolarHBondContact O-N 2.95Å; H153-R155 VanDerWaalsContact C-NH1 3.28Å; H153-R155 PolarHBondContact O-NH1 3.36Å; H153-D421 IonicContact NE2-OD2 3.35Å; H153-D421 PolarHBondContact NE2-OD2 3.45Å |
| 154 | I | 98.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | trans | -61.8 | 139.7 | 175.5 | -68.8 | 165.1 | 0 | 0 | 0 | 110 | L124 S125 I127 Y133 V159 A210 | L124-I154 HydrophobicContact CD1-CG2 4.23Å; L124-I154 HydrophobicContact CD2-CD1 3.78Å; L124-I154 HydrophobicContact CD2-CG1 4.21Å; L124-I154 HydrophobicContact CD2-CG2 4.01Å; L124-I154 HydrophobicContact CG-CD1 4.11Å; L124-I154 HydrophobicContact CG-CG1 4.17Å; L124-I154 HydrophobicContact CG-CG2 4.42Å; S125-I154 WeakPolarHBondContact O-CG1 3.39Å; I127-I154 PolarHBondContact O-N 3Å; Y133-I154 WeakPolarHBondContact CA-O 3.45Å; Y133-I154 HydrophobicContact CD2-CG2 4.2Å; Y133-I154 HydrophobicContact CE2-CG2 4.02Å; I154-V159 HydrophobicContact CG2-CG2 4.01Å; I154-A210 HydrophobicContact CG2-CB 4.2Å | ||
| 155 | R | 98 | Very high | 97.1 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.011 | 12% | 0.124 | C | C | . | . | trans | -107.7 | 152.3 | 170 | -52.7 | -58.8 | -168.8 | -102.6 | 2.3 | 112 | D132 Y133 K135 H137 E139 S150 H153 M157 E158 | D132-R155 VanDerWaalsContact O-CD 3.26Å; D132-R155 WeakPolarHBondContact O-CD 3.28Å; Y133-R155 CarbonylContact O-C 3.55Å; K135-R155 WeakPolarHBondContact O-CD 3.3Å; H137-R155 VanDerWaalsContact CE1-CG 3.49Å; H137-R155 WeakPolarHBondContact CE1-CG 3.46Å; H137-R155 WeakPolarHBondContact NE2-CG 3.5Å; E139-R155 IonicContact OE1-CZ 3.88Å; E139-R155 IonicContact OE1-NH2 2.89Å; E139-R155 PolarHBondContact OE1-NH2 3.36Å; E139-R155 IonicContact OE2-NH2 2.67Å; S150-R155 VanDerWaalsContact O-CZ 3.3Å; S150-R155 PolarHBondContact O-NH1 3.03Å; S150-R155 PolarHBondContact O-NH2 3.01Å; H153-R155 VanDerWaalsContact C-NH1 3.28Å; H153-R155 PolarHBondContact O-NH1 3.36Å; R155-M157 PolarHBondContact O-N 3.35Å; R155-E158 WeakPolarHBondContact CB-OE2 3.44Å; R155-E158 PolarHBondContact O-N 2.91Å | ||
| 156 | N | 97.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 26 Ų | 26 | 5% | 0.048 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -23.7 | 177.2 | 63.4 | -1.1 | 0 | 0 | 0 | 113.1 | Y133 F160 W303 P305 | Y133-N156 HydrophobicContact CD1-CB 4.02Å; Y133-N156 HydrophobicContact CD2-CB 4.29Å; Y133-N156 HydrophobicContact CE1-CB 3.63Å; Y133-N156 VanDerWaalsContact CE2-CA 3.49Å; Y133-N156 HydrophobicContact CE2-CB 3.91Å; Y133-N156 HydrophobicContact CG-CB 4.34Å; Y133-N156 WeakPolarHBondContact O-CB 3.42Å; Y133-N156 VanDerWaalsContact O-CG 3.25Å; Y133-N156 PolarHBondContact O-N 2.89Å; Y133-N156 PolarHBondContact O-OD1 2.91Å; N156-F160 VanDerWaalsContact O-CB 3.25Å; N156-F160 WeakPolarHBondContact O-CB 3.41Å; N156-F160 PolarHBondContact O-N 3.32Å; N156-W303 PolarHBondContact ND2-O 3.17Å; N156-P305 HydrophobicContact CB-CG 4.46Å; N156-P305 VanDerWaalsContact ND2-CD 3.26Å; N156-P305 WeakPolarHBondContact ND2-CD 3.41Å |
| 157 | M | 97.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 6% | 0.064 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 178 | -172.2 | 56.8 | 58.7 | 0 | 0 | 112 | R155 F160 K161 L295 P305 | R155-M157 PolarHBondContact O-N 3.35Å; M157-F160 PolarHBondContact O-N 2.9Å; M157-K161 VanDerWaalsContact O-CG 3.31Å; M157-K161 WeakPolarHBondContact O-CG 3.32Å; M157-K161 PolarHBondContact O-N 3.13Å; M157-L295 HydrophobicContact CE-CB 3.96Å; M157-L295 WeakPolarHBondContact CE-O 3.31Å; M157-L295 HydrophobicContact SD-CB 4.06Å; M157-P305 HydrophobicContact CE-CG 4.23Å |
| 158 | E | 98.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.9 | -42.7 | 177.2 | -80.3 | 60.2 | -109.7 | 0 | 0 | 111.4 | A111 L124 H137 R155 F160 K161 L162 | A111-E158 HydrophobicContact CB-CB 3.85Å; A111-E158 HydrophobicContact CB-CG 3.84Å; L124-E158 HydrophobicContact CD1-CB 3.88Å; H137-E158 IonicContact CD2-OE2 2.88Å; H137-E158 IonicContact NE2-OE2 3.97Å; H137-E158 PolarHBondContact NE2-OE2 3.25Å; R155-E158 WeakPolarHBondContact CB-OE2 3.44Å; R155-E158 PolarHBondContact O-N 2.91Å; E158-F160 VanDerWaalsContact C-N 3.33Å; E158-F160 PolarHBondContact O-N 2.88Å; E158-K161 PolarHBondContact O-N 2.93Å; E158-K161 IonicContact OE1-NZ 3.34Å; E158-K161 PolarHBondContact OE1-NZ 3.03Å; E158-L162 WeakPolarHBondContact O-CG 3.39Å; E158-L162 PolarHBondContact O-N 2.97Å |
| 159 | V | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 111 | L124 Y133 I154 L162 K163 A210 L214 | L124-V159 HydrophobicContact CD2-CG2 4.3Å; Y133-V159 HydrophobicContact CE2-CG2 3.9Å; I154-V159 HydrophobicContact CG2-CG2 4.01Å; V159-L162 PolarHBondContact O-N 3.21Å; V159-K163 HydrophobicContact CG1-CD 4.21Å; V159-K163 WeakPolarHBondContact O-CG 3.41Å; V159-K163 PolarHBondContact O-N 3.11Å; V159-A210 HydrophobicContact CG2-CB 3.78Å; V159-L214 HydrophobicContact CG1-CD1 4.38Å; V159-L214 HydrophobicContact CG1-CD2 4Å; V159-L214 HydrophobicContact CG1-CG 4.02Å; V159-L214 HydrophobicContact CG2-CD1 4.33Å |
| 160 | F | 98.3 | Very high | 97.5 | Very high | 20 Ų | 20 | 23 Ų | 23 | 9% | 0.088 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 178.2 | 176.3 | -99.8 | 0 | 0 | 0 | 112.5 | N156 M157 E158 K163 Q164 T292 L295 P305 P306 F317 | N156-F160 VanDerWaalsContact O-CB 3.25Å; N156-F160 WeakPolarHBondContact O-CB 3.41Å; N156-F160 PolarHBondContact O-N 3.32Å; M157-F160 PolarHBondContact O-N 2.9Å; E158-F160 VanDerWaalsContact C-N 3.33Å; E158-F160 PolarHBondContact O-N 2.88Å; F160-K163 PolarHBondContact O-N 2.62Å; F160-Q164 WeakPolarHBondContact O-CG 3.28Å; F160-Q164 PolarHBondContact O-NE2 3.04Å; F160-T292 HydrophobicContact CD1-CG2 4.45Å; F160-T292 HydrophobicContact CE1-CG2 4.06Å; F160-L295 HydrophobicContact CD1-CD1 4.49Å; F160-L295 HydrophobicContact CE1-CD1 3.79Å; F160-L295 HydrophobicContact CZ-CD1 4.49Å; F160-P305 HydrophobicContact CB-CB 3.78Å; F160-P305 HydrophobicContact CB-CG 3.68Å; F160-P305 HydrophobicContact CD1-CB 3.92Å; F160-P305 HydrophobicContact CD2-CB 3.41Å; F160-P305 VanDerWaalsContact CD2-CB 3.41Å; F160-P305 HydrophobicContact CD2-CG 4.24Å; F160-P305 HydrophobicContact CE1-CB 4.35Å; F160-P305 HydrophobicContact CE2-CB 3.89Å; F160-P305 HydrophobicContact CG-CB 3.41Å; F160-P305 VanDerWaalsContact CG-CB 3.41Å; F160-P305 HydrophobicContact CG-CG 3.92Å; F160-P305 HydrophobicContact CZ-CB 4.32Å; F160-P306 VanDerWaalsContact CE2-O 3.23Å; F160-P306 WeakPolarHBondContact CE2-O 3.06Å; F160-F317 AromaticContact CE1-CD2 3.83Å; F160-F317 HydrophobicContact CE1-CD2 3.83Å; F160-F317 HydrophobicContact CE1-CE2 4.27Å; F160-F317 HydrophobicContact CE1-CG 4.42Å; F160-F317 AromaticContact CZ-CD2 3.58Å; F160-F317 HydrophobicContact CZ-CD2 3.58Å; F160-F317 AromaticContact CZ-CE2 3.94Å; F160-F317 HydrophobicContact CZ-CE2 3.94Å |
| 161 | K | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 22.7 Ų | 22.7 | 4% | 0.039 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.2 | -48.6 | 175.6 | -69 | 161.8 | -177.6 | 165 | 0 | 110.9 | M157 E158 K163 Q164 W285 V288 L289 T292 | M157-K161 VanDerWaalsContact O-CG 3.31Å; M157-K161 WeakPolarHBondContact O-CG 3.32Å; M157-K161 PolarHBondContact O-N 3.13Å; E158-K161 PolarHBondContact O-N 2.93Å; E158-K161 IonicContact OE1-NZ 3.34Å; E158-K161 PolarHBondContact OE1-NZ 3.03Å; K161-K163 VanDerWaalsContact C-N 3.27Å; K161-K163 PolarHBondContact O-N 3.09Å; K161-Q164 WeakPolarHBondContact O-CB 2.99Å; K161-Q164 PolarHBondContact O-N 3.38Å; K161-W285 HydrophobicContact CB-CH2 3.79Å; K161-W285 HydrophobicContact CB-CZ3 3.74Å; K161-W285 HydrophobicContact CD-CH2 4.25Å; K161-V288 HydrophobicContact CB-CG1 4.03Å; K161-V288 HydrophobicContact CG-CG1 4.47Å; K161-V288 WeakPolarHBondContact O-CG1 3.23Å; K161-L289 HydrophobicContact CD-CD2 3.95Å; K161-T292 HydrophobicContact CG-CG2 4.4Å |
| 162 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.8 | -34.4 | 180 | -72.2 | 166.2 | 0 | 0 | 0 | 112.5 | A111 V113 L124 E158 V159 Q164 I165 F172 L214 W285 | A111-L162 HydrophobicContact CB-CD1 3.85Å; A111-L162 HydrophobicContact CB-CD2 4.5Å; A111-L162 HydrophobicContact CB-CG 4.2Å; V113-L162 HydrophobicContact CG2-CD2 4.27Å; L124-L162 HydrophobicContact CB-CD1 4.32Å; L124-L162 HydrophobicContact CD1-CD1 4.17Å; E158-L162 WeakPolarHBondContact O-CG 3.39Å; E158-L162 PolarHBondContact O-N 2.97Å; V159-L162 PolarHBondContact O-N 3.21Å; L162-Q164 PolarHBondContact O-N 3.39Å; L162-I165 WeakPolarHBondContact O-CB 3.04Å; L162-I165 WeakPolarHBondContact O-CG1 3.22Å; L162-I165 PolarHBondContact O-N 3.48Å; L162-I165 VanDerWaalsContact O-N 3.16Å; L162-F172 HydrophobicContact CD1-CE2 4.33Å; L162-F172 HydrophobicContact CD1-CZ 3.82Å; L162-F172 HydrophobicContact CD2-CE2 4.08Å; L162-F172 HydrophobicContact CD2-CZ 4.38Å; L162-L214 HydrophobicContact CB-CD2 3.62Å; L162-L214 HydrophobicContact CD1-CD1 3.76Å; L162-L214 HydrophobicContact CD1-CD2 4.37Å; L162-W285 HydrophobicContact CD2-CE3 4.39Å; L162-W285 HydrophobicContact CD2-CH2 4.2Å; L162-W285 HydrophobicContact CD2-CZ3 3.79Å; L162-W285 HydrophobicContact CG-CH2 4.33Å; L162-W285 HydrophobicContact CG-CZ3 4.09Å |
| 163 | K | 97.9 | Very high | 97.8 | Very high | 65 Ų | 65 | 21.8 Ų | 21.8 | 28% | 0.283 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -7.2 | 172.9 | -72.6 | 175.2 | 65.7 | -172.9 | 0 | 114.8 | V159 F160 K161 E213 L214 H217 | V159-K163 HydrophobicContact CG1-CD 4.21Å; V159-K163 WeakPolarHBondContact O-CG 3.41Å; V159-K163 PolarHBondContact O-N 3.11Å; F160-K163 PolarHBondContact O-N 2.62Å; K161-K163 VanDerWaalsContact C-N 3.27Å; K161-K163 PolarHBondContact O-N 3.09Å; K163-E213 HydrophobicContact CD-CG 4.28Å; K163-E213 VanDerWaalsContact CD-OE1 3.28Å; K163-E213 WeakPolarHBondContact CD-OE1 3.41Å; K163-E213 WeakPolarHBondContact CE-OE1 3.45Å; K163-E213 IonicContact NZ-OE1 3.9Å; K163-E213 PolarHBondContact NZ-OE1 3.42Å; K163-L214 HydrophobicContact CG-CD2 3.91Å; K163-H217 PolarHBondContact O-NE2 2.66Å |
| 164 | Q | 97.8 | Very high | 97.8 | Very high | 15 Ų | 15 | 21.5 Ų | 21.5 | 7% | 0.07 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -6.2 | 173.7 | -48 | -52.8 | -56.1 | 0 | 0 | 112.5 | F160 K161 L162 Q166 V288 F317 R318 | F160-Q164 WeakPolarHBondContact O-CG 3.28Å; F160-Q164 PolarHBondContact O-NE2 3.04Å; K161-Q164 WeakPolarHBondContact O-CB 2.99Å; K161-Q164 PolarHBondContact O-N 3.38Å; L162-Q164 PolarHBondContact O-N 3.39Å; Q164-Q166 PolarHBondContact O-N 3.42Å; Q164-V288 HydrophobicContact CB-CB 4.47Å; Q164-V288 HydrophobicContact CB-CG1 3.83Å; Q164-V288 HydrophobicContact CB-CG2 3.73Å; Q164-V288 HydrophobicContact CG-CG1 4.08Å; Q164-F317 HydrophobicContact CG-CB 4Å; Q164-R318 HydrophobicContact CB-CG 4.3Å; Q164-R318 WeakPolarHBondContact O-CG 3.26Å |
| 165 | I | 98.1 | Very high | 97.8 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 4% | 0.041 | 11% | 0.108 | C | C | . | . | trans | -72 | 127.7 | 176.7 | -65.9 | -62.8 | 0 | 0 | 0 | 109.9 | L162 M167 I169 L218 E284 W285 V288 | L162-I165 WeakPolarHBondContact O-CB 3.04Å; L162-I165 WeakPolarHBondContact O-CG1 3.22Å; L162-I165 PolarHBondContact O-N 3.48Å; L162-I165 VanDerWaalsContact O-N 3.16Å; I165-M167 WeakPolarHBondContact CG2-O 3.38Å; I165-I169 HydrophobicContact CG2-CD1 4.06Å; I165-I169 HydrophobicContact CG2-CG1 4.09Å; I165-L218 HydrophobicContact CB-CD2 4.08Å; I165-L218 HydrophobicContact CG2-CD2 4.28Å; I165-E284 HydrophobicContact CD1-CB 4.37Å; I165-E284 HydrophobicContact CD1-CG 3.9Å; I165-E284 WeakPolarHBondContact CG2-OE2 3.47Å; I165-W285 HydrophobicContact CD1-CB 4.45Å; I165-W285 HydrophobicContact CD1-CE3 4.26Å; I165-V288 HydrophobicContact CD1-CG2 4.42Å | ||
| 166 | Q | 95.9 | Very high | 97.7 | Very high | 102 Ų | 102 | 21.7 Ų | 21.7 | 48% | 0.477 | 11% | 0.11 | S | C | . | . | trans | -107.6 | -39.2 | 179.3 | -57 | -173.1 | 94.1 | 0 | 0 | 111.8 | Q164 E284 R318 A319 | Q164-Q166 PolarHBondContact O-N 3.42Å; Q166-E284 WeakPolarHBondContact CA-OE1 3.08Å; Q166-E284 WeakPolarHBondContact CB-OE1 3.44Å; Q166-E284 PolarHBondContact N-OE1 2.93Å; Q166-R318 HydrophobicContact CG-CB 4.03Å; Q166-R318 HydrophobicContact CG-CG 3.98Å; Q166-A319 PolarHBondContact NE2-O 3.41Å | ||
| 167 | M | 95.6 | Very high | 97.7 | Very high | 87 Ų | 87 | 21.4 Ų | 21.4 | 43% | 0.429 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -66.2 | 146.3 | 179.1 | -63.8 | 172.8 | 60.9 | 0 | 0 | 109.8 | R120 I165 I169 E284 M324 | R120-M167 PolarHBondContact NH1-O 2.85Å; I165-M167 WeakPolarHBondContact CG2-O 3.38Å; M167-I169 PolarHBondContact O-N 2.86Å; M167-E284 VanDerWaalsContact CB-OE2 3.27Å; M167-E284 WeakPolarHBondContact CB-OE2 3.37Å; M167-E284 PolarHBondContact N-OE1 3.25Å; M167-E284 PolarHBondContact N-OE2 2.8Å; M167-E284 HydrophobicContact SD-CB 4.32Å; M167-M324 HydrophobicContact SD-SD 4.12Å |
| 168 | P | 95.2 | Very high | 97.8 | Very high | 80 Ų | 80 | 20.8 Ų | 20.8 | 52% | 0.519 | 11% | 0.105 | S | C | . | . | P | Polyproline II helix | trans | -59.8 | 137.5 | -179.5 | -24.2 | 34 | 0 | 0 | 0 | 112.6 | R120 | R120-P168 WeakPolarHBondContact CD-O 3.36Å; R120-P168 PolarHBondContact NH1-O 3.43Å |
| 169 | I | 96.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -97 | 135.1 | 168 | -63.7 | 179.4 | 0 | 0 | 0 | 108.4 | I165 M167 I171 F172 L218 P220 | I165-I169 HydrophobicContact CG2-CD1 4.06Å; I165-I169 HydrophobicContact CG2-CG1 4.09Å; M167-I169 PolarHBondContact O-N 2.86Å; I169-I171 WeakPolarHBondContact CG2-O 3.25Å; I169-F172 HydrophobicContact CD1-CD2 4.07Å; I169-F172 HydrophobicContact CD1-CE2 4.39Å; I169-F172 HydrophobicContact CG2-CB 4.47Å; I169-F172 HydrophobicContact CG2-CD2 4.35Å; I169-L218 HydrophobicContact CD1-CD1 3.85Å; I169-L218 HydrophobicContact CD1-CD2 4Å; I169-L218 HydrophobicContact CD1-CG 4.34Å; I169-P220 HydrophobicContact CB-CB 4.37Å; I169-P220 HydrophobicContact CG2-CB 4.15Å; I169-P220 VanDerWaalsContact O-CA 3.27Å; I169-P220 WeakPolarHBondContact O-CA 3.37Å |
| 170 | D | 97.3 | Very high | 97.6 | Very high | 25 Ų | 25 | 28.2 Ų | 28.2 | 13% | 0.134 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -86.4 | -46.4 | 179.1 | -61.1 | -72.5 | 0 | 0 | 0 | 110.7 | V119 R120 S221 Y222 R272 | V119-D170 HydrophobicContact CG1-CB 3.66Å; R120-D170 PolarHBondContact N-OD2 2.76Å; R120-D170 PolarHBondContact O-N 3.03Å; D170-S221 WeakPolarHBondContact O-CB 3.31Å; D170-S221 PolarHBondContact O-N 2.75Å; D170-S221 VanDerWaalsContact O-N 3.12Å; D170-Y222 PolarHBondContact O-N 3.09Å; D170-R272 VanDerWaalsContact CG-NH2 3.35Å; D170-R272 IonicContact OD1-CZ 3.38Å; D170-R272 IonicContact OD1-NH2 3.85Å; D170-R272 PolarHBondContact OD1-NH2 3.1Å; D170-R272 IonicContact OD2-CZ 2.72Å; D170-R272 IonicContact OD2-NH2 3.95Å; D170-R272 PolarHBondContact OD2-NH2 2.73Å; D170-R272 VanDerWaalsContact OD2-NH2 3.11Å |
| 171 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.2 | -179 | -53.9 | 175.3 | 0 | 0 | 0 | 109.3 | I3 L35 V119 R120 I121 G122 I169 M173 F224 I269 | I3-I171 HydrophobicContact CD1-CD1 3.53Å; L35-I171 HydrophobicContact CD1-CD1 4.03Å; L35-I171 HydrophobicContact CD1-CG2 3.89Å; V119-I171 HydrophobicContact CG1-CD1 3.82Å; V119-I171 HydrophobicContact CG1-CG1 4.01Å; R120-I171 PolarHBondContact O-N 3.2Å; I121-I171 CarbonylContact C-O 3.57Å; I121-I171 WeakPolarHBondContact CA-O 3.36Å; I121-I171 HydrophobicContact CG1-CB 4.4Å; I121-I171 HydrophobicContact CG1-CD1 4.25Å; I121-I171 HydrophobicContact CG2-CB 4.36Å; I121-I171 HydrophobicContact CG2-CG2 4.41Å; G122-I171 PolarHBondContact N-O 2.97Å; I169-I171 WeakPolarHBondContact CG2-O 3.25Å; I171-M173 HydrophobicContact CG2-CG 4.46Å; I171-F224 HydrophobicContact CD1-CE2 4.45Å; I171-F224 HydrophobicContact CG2-CD2 3.52Å; I171-F224 HydrophobicContact CG2-CE2 3.54Å; I171-I269 HydrophobicContact CD1-CD1 3.5Å; I171-I269 HydrophobicContact CG1-CD1 3.86Å |
| 172 | F | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.9 | 169.8 | -158.4 | -85.9 | 0 | 0 | 0 | 111.2 | G122 L124 L162 I169 L214 L218 P220 Y222 W223 F224 | G122-F172 CarbonylContact O-C 3.59Å; G122-F172 VanDerWaalsContact O-CA 3.28Å; G122-F172 WeakPolarHBondContact O-CA 3.49Å; L124-F172 HydrophobicContact CB-CE1 4.08Å; L124-F172 HydrophobicContact CB-CZ 4.15Å; L162-F172 HydrophobicContact CD1-CE2 4.33Å; L162-F172 HydrophobicContact CD1-CZ 3.82Å; L162-F172 HydrophobicContact CD2-CE2 4.08Å; L162-F172 HydrophobicContact CD2-CZ 4.38Å; I169-F172 HydrophobicContact CD1-CD2 4.07Å; I169-F172 HydrophobicContact CD1-CE2 4.39Å; I169-F172 HydrophobicContact CG2-CB 4.47Å; I169-F172 HydrophobicContact CG2-CD2 4.35Å; F172-L214 HydrophobicContact CE1-CD1 4.42Å; F172-L214 HydrophobicContact CZ-CD1 4.14Å; F172-L218 HydrophobicContact CD2-CD1 3.76Å; F172-L218 HydrophobicContact CE2-CD1 3.54Å; F172-L218 HydrophobicContact CZ-CD1 4.26Å; F172-P220 HydrophobicContact CB-CB 4.06Å; F172-P220 HydrophobicContact CB-CG 3.71Å; F172-Y222 PolarHBondContact N-O 3.15Å; F172-W223 HydrophobicContact CB-CD2 4.25Å; F172-W223 HydrophobicContact CB-CE3 3.77Å; F172-W223 HydrophobicContact CB-CZ3 3.98Å; F172-W223 HydrophobicContact CD1-CD2 4.09Å; F172-W223 AromaticContact CD1-CE2 3.89Å; F172-W223 AromaticContact CD1-CE3 3.81Å; F172-W223 HydrophobicContact CD1-CE3 3.81Å; F172-W223 AromaticContact CD1-CH2 3.2Å; F172-W223 HydrophobicContact CD1-CH2 3.2Å; F172-W223 AromaticContact CD1-CZ2 3.48Å; F172-W223 HydrophobicContact CD1-CZ2 3.48Å; F172-W223 VanDerWaalsContact CD1-CZ2 3.48Å; F172-W223 AromaticContact CD1-CZ3 3.36Å; F172-W223 HydrophobicContact CD1-CZ3 3.36Å; F172-W223 AromaticContact CE1-CH2 3.46Å; F172-W223 HydrophobicContact CE1-CH2 3.46Å; F172-W223 VanDerWaalsContact CE1-CH2 3.46Å; F172-W223 AromaticContact CE1-CZ2 3.81Å; F172-W223 HydrophobicContact CE1-CZ2 3.81Å; F172-W223 HydrophobicContact CE1-CZ3 4.01Å; F172-W223 HydrophobicContact CG-CE3 4.04Å; F172-W223 HydrophobicContact CG-CH2 4.05Å; F172-W223 AromaticContact CG-CZ3 3.74Å; F172-W223 HydrophobicContact CG-CZ3 3.74Å; F172-W223 HydrophobicContact CZ-CH2 4.48Å; F172-W223 CarbonylContact O-C 3.45Å; F172-W223 VanDerWaalsContact O-CA 3.32Å; F172-W223 WeakPolarHBondContact O-CA 3.44Å; F172-F224 PolarHBondContact O-N 3.44Å |
| 173 | M | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135.2 | -179.4 | -60.1 | 170 | 65.3 | 0 | 0 | 110.9 | L35 C36 I82 I121 G122 G123 L124 I171 F224 | L35-M173 HydrophobicContact CB-CE 3.82Å; L35-M173 HydrophobicContact CB-SD 3.97Å; L35-M173 HydrophobicContact CD1-SD 4.08Å; L35-M173 HydrophobicContact CD2-SD 3.9Å; L35-M173 HydrophobicContact CG-SD 4.2Å; C36-M173 WeakPolarHBondContact O-CE 3.44Å; I82-M173 HydrophobicContact CD1-CB 3.84Å; I82-M173 HydrophobicContact CG1-CB 4.38Å; I82-M173 HydrophobicContact CG1-CE 4.34Å; I82-M173 HydrophobicContact CG2-CB 4.18Å; I121-M173 HydrophobicContact CG2-SD 4.23Å; G122-M173 PolarHBondContact O-N 3.2Å; G123-M173 CarbonylContact C-O 3.58Å; G123-M173 WeakPolarHBondContact CA-O 3.22Å; L124-M173 PolarHBondContact N-O 3.16Å; I171-M173 HydrophobicContact CG2-CG 4.46Å; M173-F224 WeakPolarHBondContact CA-O 3.42Å |
| 174 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 144.8 | 167.5 | 64.9 | 0 | 0 | 0 | 0 | 109.6 | I82 D176 W223 F224 S225 | I82-S174 VanDerWaalsContact CD1-CA 3.43Å; S174-D176 WeakPolarHBondContact CB-O 3.49Å; S174-D176 PolarHBondContact OG-O 2.76Å; S174-W223 WeakPolarHBondContact OG-CZ2 3.07Å; S174-W223 PolarHBondContact OG-NE1 3.33Å; S174-F224 PolarHBondContact N-O 3.25Å; S174-S225 WeakPolarHBondContact O-CA 3.34Å; S174-S225 VanDerWaalsContact O-CB 3.25Å; S174-S225 WeakPolarHBondContact O-CB 3.44Å; S174-S225 PolarHBondContact O-OG 2.95Å; S174-S225 VanDerWaalsContact O-OG 3.05Å; S174-S225 PolarHBondContact OG-OG 3.03Å |
| 175 | H | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -69.1 | -57.4 | -179.4 | -172.7 | 63.9 | 0 | 0 | 0 | 111.2 | C8 C37 G38 D39 I82 G84 N85 A226 H227 | C8-H175 VanDerWaalsContact SG-CE1 3.58Å; C37-H175 VanDerWaalsContact O-CA 3.25Å; C37-H175 WeakPolarHBondContact O-CA 3.47Å; C37-H175 WeakPolarHBondContact O-CB 3.38Å; C37-H175 PolarHBondContact O-ND1 2.86Å; G38-H175 WeakPolarHBondContact CA-ND1 3.45Å; D39-H175 IonicContact OD1-CE1 2.54Å; D39-H175 IonicContact OD1-NE2 3.03Å; D39-H175 PolarHBondContact OD1-NE2 2.74Å; D39-H175 IonicContact OD2-NE2 3.26Å; I82-H175 HydrophobicContact CD1-CB 4.49Å; G84-H175 VanDerWaalsContact CA-CG 3.49Å; N85-H175 PolarHBondContact OD1-NE2 3.42Å; H175-A226 CarbonylContact O-C 3.52Å; H175-A226 VanDerWaalsContact O-C 3.26Å; H175-A226 PolarHBondContact O-N 2.96Å; H175-H227 AromaticContact CD2-CG 3.76Å; H175-H227 AromaticContact CD2-ND1 3.53Å; H175-H227 WeakPolarHBondContact NE2-CB 3.5Å; H175-H227 AromaticContact NE2-CG 3.67Å; H175-H227 AromaticContact NE2-ND1 3.21Å; H175-H227 PolarHBondContact NE2-ND1 3.33Å; H175-H227 WeakPolarHBondContact O-CB 3.05Å |
| 176 | D | 96.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -74.4 | 156.8 | 170.1 | 61 | 18.5 | 0 | 0 | 0 | 112 | I127 Y128 S174 S208 S225 | I127-D176 VanDerWaalsContact CA-OD2 3.31Å; I127-D176 WeakPolarHBondContact CA-OD2 3.44Å; I127-D176 HydrophobicContact CG2-CB 4.32Å; Y128-D176 PolarHBondContact N-OD2 2.81Å; S174-D176 WeakPolarHBondContact CB-O 3.49Å; S174-D176 PolarHBondContact OG-O 2.76Å; D176-S208 WeakPolarHBondContact OD1-CB 3.25Å; D176-S208 VanDerWaalsContact OD2-CB 3.26Å; D176-S208 WeakPolarHBondContact OD2-CB 3.25Å; D176-S225 PolarHBondContact O-OG 3.38Å |
| 177 | W | 98.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.011 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 146.3 | -178 | -70.5 | 23.8 | 0 | 0 | 0 | 110.5 | R179 I181 L190 G207 S208 A226 L228 V230 F232 F251 S253 | W177-R179 PolarHBondContact O-N 3.18Å; W177-I181 HydrophobicContact CB-CG2 4.1Å; W177-I181 HydrophobicContact CD2-CG2 4.27Å; W177-I181 HydrophobicContact CE3-CG2 3.58Å; W177-I181 HydrophobicContact CZ3-CG2 4.43Å; W177-L190 HydrophobicContact CH2-CD1 4.18Å; W177-L190 HydrophobicContact CH2-CD2 4.27Å; W177-L190 HydrophobicContact CZ3-CD2 4.1Å; W177-G207 CarbonylContact O-C 3.51Å; W177-G207 VanDerWaalsContact O-CA 3.25Å; W177-G207 WeakPolarHBondContact O-CA 3.48Å; W177-S208 PolarHBondContact O-N 2.65Å; W177-A226 PolarHBondContact NE1-O 3.03Å; W177-L228 HydrophobicContact CD2-CD1 3.66Å; W177-L228 HydrophobicContact CD2-CG 4.37Å; W177-L228 HydrophobicContact CE3-CD1 4.03Å; W177-L228 HydrophobicContact CG-CD1 4.01Å; W177-L228 HydrophobicContact CG-CG 4.41Å; W177-L228 HydrophobicContact CH2-CD1 4.16Å; W177-L228 HydrophobicContact CZ2-CB 4.13Å; W177-L228 HydrophobicContact CZ2-CD1 3.83Å; W177-L228 HydrophobicContact CZ2-CG 4.34Å; W177-L228 HydrophobicContact CZ3-CD1 4.28Å; W177-V230 HydrophobicContact CH2-CG1 4.11Å; W177-V230 HydrophobicContact CZ2-CG1 3.87Å; W177-F232 HydrophobicContact CE3-CD1 4.36Å; W177-F232 HydrophobicContact CH2-CB 3.16Å; W177-F232 AromaticContact CH2-CD1 3.72Å; W177-F232 HydrophobicContact CH2-CD1 3.72Å; W177-F232 HydrophobicContact CH2-CD2 4.16Å; W177-F232 AromaticContact CH2-CG 3.43Å; W177-F232 HydrophobicContact CH2-CG 3.43Å; W177-F232 VanDerWaalsContact CH2-CG 3.43Å; W177-F232 HydrophobicContact CZ2-CB 3.75Å; W177-F232 HydrophobicContact CZ2-CG 4.43Å; W177-F232 HydrophobicContact CZ3-CB 3.89Å; W177-F232 AromaticContact CZ3-CD1 3.48Å; W177-F232 HydrophobicContact CZ3-CD1 3.48Å; W177-F232 VanDerWaalsContact CZ3-CD1 3.48Å; W177-F232 HydrophobicContact CZ3-CD2 4.35Å; W177-F232 HydrophobicContact CZ3-CE1 4.04Å; W177-F232 AromaticContact CZ3-CG 3.66Å; W177-F232 HydrophobicContact CZ3-CG 3.66Å; W177-F251 HydrophobicContact CB-CZ 4.28Å; W177-F251 AromaticContact CD2-CE1 3.98Å; W177-F251 HydrophobicContact CD2-CE1 3.98Å; W177-F251 AromaticContact CD2-CZ 3.6Å; W177-F251 HydrophobicContact CD2-CZ 3.6Å; W177-F251 AromaticContact CE2-CZ 3.99Å; W177-F251 HydrophobicContact CE3-CE1 4Å; W177-F251 AromaticContact CE3-CZ 4Å; W177-F251 HydrophobicContact CE3-CZ 4Å; W177-F251 AromaticContact CG-CZ 3.71Å; W177-F251 HydrophobicContact CG-CZ 3.71Å; W177-F251 HydrophobicContact CZ3-CE1 4.31Å; W177-S253 VanDerWaalsContact CZ2-CB 3.41Å; W177-S253 WeakPolarHBondContact CZ2-OG 3.44Å; W177-S253 VanDerWaalsContact NE1-CB 3.26Å |
| 178 | P | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -54 | 125.1 | 161.4 | -22.1 | 33.6 | 0 | 0 | 0 | 109.7 | R180 I181 A211 L215 W223 F251 | P178-R180 PolarHBondContact O-N 3.49Å; P178-I181 HydrophobicContact CB-CB 4.33Å; P178-I181 WeakPolarHBondContact O-CB 3.32Å; P178-I181 WeakPolarHBondContact O-CG2 3.34Å; P178-I181 PolarHBondContact O-N 3.16Å; P178-I181 VanDerWaalsContact O-N 3.16Å; P178-A211 HydrophobicContact CB-CB 4.19Å; P178-A211 HydrophobicContact CG-CB 4.12Å; P178-L215 HydrophobicContact CB-CB 4.28Å; P178-L215 HydrophobicContact CB-CD2 3.66Å; P178-L215 HydrophobicContact CG-CB 4.41Å; P178-L215 HydrophobicContact CG-CD2 3.91Å; P178-W223 HydrophobicContact CG-CD2 3.92Å; P178-W223 HydrophobicContact CG-CG 4.23Å; P178-W223 HydrophobicContact CG-CH2 4.46Å; P178-W223 HydrophobicContact CG-CZ2 3.65Å; P178-W223 VanDerWaalsContact CG-NE1 3.3Å; P178-F251 HydrophobicContact CG-CE2 4.41Å |
| 179 | R | 97.6 | Very high | 97.1 | Very high | 64 Ų | 64 | 32.4 Ų | 32.4 | 24% | 0.242 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 144.3 | 176.4 | -170.1 | 176.7 | 65.5 | 172.3 | -6.8 | 109.8 | W177 I181 N204 L206 S208 E212 | W177-R179 PolarHBondContact O-N 3.18Å; R179-I181 PolarHBondContact O-N 3.35Å; R179-N204 WeakPolarHBondContact CD-O 3.38Å; R179-L206 WeakPolarHBondContact CA-O 3.31Å; R179-L206 WeakPolarHBondContact CG-O 3.49Å; R179-S208 PolarHBondContact N-O 2.93Å; R179-E212 HydrophobicContact CB-CB 4.11Å; R179-E212 IonicContact CZ-OE2 3.3Å; R179-E212 IonicContact NE-OE2 3.08Å; R179-E212 PolarHBondContact NE-OE2 3.34Å; R179-E212 IonicContact NH2-OE2 3.9Å; R179-E212 PolarHBondContact NH2-OE2 2.86Å |
| 180 | R | 96.1 | Very high | 97 | Very high | 103 Ų | 103 | 32.5 Ų | 32.5 | 39% | 0.389 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | -4.2 | -175.9 | -64 | 175.1 | -176.7 | 160.6 | -10.6 | 116.9 | P178 Y182 H183 N204 E212 | P178-R180 PolarHBondContact O-N 3.49Å; R180-Y182 PolarHBondContact O-N 3.35Å; R180-Y182 VanDerWaalsContact O-N 3.09Å; R180-H183 WeakPolarHBondContact O-CB 3.32Å; R180-H183 PolarHBondContact O-N 3.02Å; R180-N204 WeakPolarHBondContact CD-OD1 3.39Å; R180-N204 WeakPolarHBondContact CG-OD1 3.47Å; R180-N204 PolarHBondContact NE-ND2 3.18Å; R180-N204 PolarHBondContact NE-OD1 3.46Å; R180-N204 PolarHBondContact NH2-ND2 3.33Å; R180-E212 WeakPolarHBondContact CD-OE1 3.38Å; R180-E212 IonicContact CZ-OE1 3.28Å; R180-E212 IonicContact NE-OE1 2.73Å; R180-E212 IonicContact NH1-OE1 2.92Å; R180-E212 PolarHBondContact NH1-OE1 3.45Å |
| 181 | I | 97.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -60 | -27.2 | 179.5 | -163.1 | 52.7 | 0 | 0 | 0 | 112.5 | W177 P178 R179 H183 Y184 L215 A234 M236 F251 | W177-I181 HydrophobicContact CB-CG2 4.1Å; W177-I181 HydrophobicContact CD2-CG2 4.27Å; W177-I181 HydrophobicContact CE3-CG2 3.58Å; W177-I181 HydrophobicContact CZ3-CG2 4.43Å; P178-I181 HydrophobicContact CB-CB 4.33Å; P178-I181 WeakPolarHBondContact O-CB 3.32Å; P178-I181 WeakPolarHBondContact O-CG2 3.34Å; P178-I181 PolarHBondContact O-N 3.16Å; P178-I181 VanDerWaalsContact O-N 3.16Å; R179-I181 PolarHBondContact O-N 3.35Å; I181-H183 PolarHBondContact O-N 3.34Å; I181-H183 VanDerWaalsContact O-N 3.15Å; I181-Y184 HydrophobicContact CD1-CD2 4.13Å; I181-Y184 PolarHBondContact O-N 3.31Å; I181-L215 HydrophobicContact CD1-CD2 3.92Å; I181-A234 HydrophobicContact CD1-CB 4.22Å; I181-A234 HydrophobicContact CG1-CB 4.11Å; I181-M236 HydrophobicContact CD1-CB 4.08Å; I181-M236 HydrophobicContact CD1-SD 4.28Å; I181-F251 HydrophobicContact CD1-CB 4.02Å; I181-F251 HydrophobicContact CD1-CG 4.24Å; I181-F251 HydrophobicContact CG1-CB 3.8Å; I181-F251 HydrophobicContact CG1-CD1 3.82Å; I181-F251 HydrophobicContact CG1-CD2 3.7Å; I181-F251 HydrophobicContact CG1-CE1 4.33Å; I181-F251 HydrophobicContact CG1-CE2 4.21Å; I181-F251 HydrophobicContact CG1-CG 3.47Å; I181-F251 VanDerWaalsContact CG1-CG 3.47Å; I181-F251 HydrophobicContact CG1-CZ 4.5Å; I181-F251 HydrophobicContact CG2-CD1 4.37Å; I181-F251 HydrophobicContact CG2-CD2 4.49Å; I181-F251 HydrophobicContact CG2-CE1 4.05Å; I181-F251 HydrophobicContact CG2-CE2 4.18Å; I181-F251 HydrophobicContact CG2-CZ 3.94Å |
| 182 | Y | 95.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -58.5 | -24.8 | 175.1 | 57.3 | -98.3 | 0 | 0 | 0 | 113.4 | R180 Y184 G185 T187 V201 N204 L206 | R180-Y182 PolarHBondContact O-N 3.35Å; R180-Y182 VanDerWaalsContact O-N 3.09Å; Y182-Y184 PolarHBondContact O-N 3.31Å; Y182-G185 PolarHBondContact O-N 2.97Å; Y182-T187 HydrophobicContact CD2-CG2 3.96Å; Y182-T187 PolarHBondContact O-OG1 2.87Å; Y182-V201 HydrophobicContact CD1-CG2 4.47Å; Y182-V201 HydrophobicContact CD2-CG1 4.02Å; Y182-V201 HydrophobicContact CD2-CG2 4.06Å; Y182-V201 HydrophobicContact CE1-CG2 4.47Å; Y182-V201 HydrophobicContact CE2-CB 4.19Å; Y182-V201 HydrophobicContact CE2-CG1 3.65Å; Y182-V201 HydrophobicContact CE2-CG2 4.06Å; Y182-V201 HydrophobicContact CG-CG2 4.26Å; Y182-V201 PolarHBondContact OH-O 2.98Å; Y182-N204 PolarHBondContact OH-OD1 2.9Å; Y182-L206 HydrophobicContact CD1-CB 4.24Å; Y182-L206 HydrophobicContact CD1-CD2 3.85Å; Y182-L206 HydrophobicContact CD1-CG 4.24Å; Y182-L206 HydrophobicContact CE1-CB 3.84Å; Y182-L206 HydrophobicContact CE1-CD2 4.27Å; Y182-L206 HydrophobicContact CE1-CG 4.34Å; Y182-L206 HydrophobicContact CG-CD2 4.41Å |
| 183 | H | 95.8 | Very high | 96.3 | Very high | 91 Ų | 91 | 45.2 Ų | 45.2 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -68.1 | -20.2 | 174.7 | -70.8 | -62.8 | 0 | 0 | 0 | 113.2 | R180 I181 K457 | R180-H183 WeakPolarHBondContact O-CB 3.32Å; R180-H183 PolarHBondContact O-N 3.02Å; I181-H183 PolarHBondContact O-N 3.34Å; I181-H183 VanDerWaalsContact O-N 3.15Å; H183-K457 VanDerWaalsContact O-CD 3.25Å; H183-K457 WeakPolarHBondContact O-CD 3.38Å; H183-K457 WeakPolarHBondContact O-CE 3.47Å; H183-K457 PolarHBondContact O-NZ 2.88Å |
| 184 | Y | 96.9 | Very high | 96 | Very high | 64 Ų | 64 | 45.8 Ų | 45.8 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -97 | 5.6 | -176.2 | -61.7 | -87.4 | 0 | 0 | 0 | 113.7 | I181 Y182 A234 V235 M236 | I181-Y184 HydrophobicContact CD1-CD2 4.13Å; I181-Y184 PolarHBondContact O-N 3.31Å; Y182-Y184 PolarHBondContact O-N 3.31Å; Y184-A234 WeakPolarHBondContact O-CA 3.28Å; Y184-V235 PolarHBondContact O-N 2.85Å; Y184-V235 VanDerWaalsContact O-N 3.12Å; Y184-M236 HydrophobicContact CD1-CB 4.05Å; Y184-M236 HydrophobicContact CD1-CG 3.99Å; Y184-M236 HydrophobicContact CD2-CB 4.39Å; Y184-M236 HydrophobicContact CD2-CG 4.25Å; Y184-M236 HydrophobicContact CE1-CB 4.4Å; Y184-M236 HydrophobicContact CE1-CG 3.82Å; Y184-M236 HydrophobicContact CE2-CE 4.34Å; Y184-M236 HydrophobicContact CE2-CG 4.1Å; Y184-M236 HydrophobicContact CE2-SD 4.16Å; Y184-M236 HydrophobicContact CG-CB 4.03Å; Y184-M236 HydrophobicContact CG-CG 4.19Å |
| 185 | G | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -129.7 | -159.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y182 T187 K457 | Y182-G185 PolarHBondContact O-N 2.97Å; G185-T187 PolarHBondContact O-N 3.5Å; G185-K457 VanDerWaalsContact O-CE 3.29Å; G185-K457 WeakPolarHBondContact O-CE 3.12Å; G185-K457 PolarHBondContact O-NZ 2.81Å |
| 186 | N | 96.5 | Very high | 95.3 | Very high | 92 Ų | 92 | 57.6 Ų | 57.6 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | trans | -86.4 | 81.8 | 177.5 | -169.4 | -18.1 | 0 | 0 | 0 | 110.9 | E188 D189 L190 | N186-E188 PolarHBondContact O-N 3.49Å; N186-E188 PolarHBondContact OD1-N 3.37Å; N186-D189 HydrophobicContact CB-CB 4.16Å; N186-D189 PolarHBondContact O-N 3.46Å; N186-D189 PolarHBondContact OD1-N 3.01Å; N186-L190 PolarHBondContact O-N 2.87Å; N186-L190 VanDerWaalsContact O-N 3.16Å | ||
| 187 | T | 95.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 14% | 0.135 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -33.3 | 179.7 | -36.3 | 0 | 0 | 0 | 0 | 112.3 | Y182 G185 L190 L191 V201 | Y182-T187 HydrophobicContact CD2-CG2 3.96Å; Y182-T187 PolarHBondContact O-OG1 2.87Å; G185-T187 PolarHBondContact O-N 3.5Å; T187-L190 WeakPolarHBondContact O-CB 3.1Å; T187-L190 PolarHBondContact O-N 3.27Å; T187-L191 HydrophobicContact CG2-CD1 4.3Å; T187-L191 HydrophobicContact CG2-CG 4.38Å; T187-L191 VanDerWaalsContact O-CG 3.31Å; T187-L191 WeakPolarHBondContact O-CG 3.25Å; T187-L191 PolarHBondContact O-N 3.04Å; T187-V201 HydrophobicContact CG2-CG1 4.04Å |
| 188 | E | 95.6 | Very high | 95 | Very high | 163 Ų | 163 | 62.8 Ų | 62.8 | 76% | 0.762 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 179.7 | -65.2 | 177.1 | 178 | 0 | 0 | 111.3 | N186 L191 R192 | N186-E188 PolarHBondContact O-N 3.49Å; N186-E188 PolarHBondContact OD1-N 3.37Å; E188-L191 PolarHBondContact O-N 3.2Å; E188-R192 WeakPolarHBondContact O-CB 3.47Å; E188-R192 PolarHBondContact O-N 3.11Å |
| 189 | D | 94.8 | Very high | 94.7 | Very high | 37 Ų | 37 | 66.4 Ų | 66.4 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 174.5 | -175.7 | 55.6 | 0 | 0 | 0 | 112.2 | N186 L191 R192 K193 | N186-D189 HydrophobicContact CB-CB 4.16Å; N186-D189 PolarHBondContact O-N 3.46Å; N186-D189 PolarHBondContact OD1-N 3.01Å; D189-L191 PolarHBondContact O-N 2.7Å; D189-R192 WeakPolarHBondContact O-CB 3.5Å; D189-R192 PolarHBondContact O-N 3.48Å; D189-R192 IonicContact OD1-CZ 3.56Å; D189-R192 IonicContact OD1-NE 3.84Å; D189-R192 PolarHBondContact OD1-NE 3.05Å; D189-R192 IonicContact OD1-NH2 2.73Å; D189-R192 PolarHBondContact OD1-NH2 2.93Å; D189-K193 WeakPolarHBondContact O-CG 3.45Å; D189-K193 PolarHBondContact O-N 3.15Å; D189-K193 IonicContact OD1-NZ 3.13Å; D189-K193 VanDerWaalsContact OD2-CE 3.22Å; D189-K193 WeakPolarHBondContact OD2-CE 3.46Å; D189-K193 IonicContact OD2-NZ 3.62Å; D189-K193 PolarHBondContact OD2-NZ 3.33Å |
| 190 | L | 94.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 174.2 | 175.4 | 64 | 0 | 0 | 0 | 111.2 | W177 N186 T187 R192 K193 K194 L197 V230 F232 | W177-L190 HydrophobicContact CH2-CD1 4.18Å; W177-L190 HydrophobicContact CH2-CD2 4.27Å; W177-L190 HydrophobicContact CZ3-CD2 4.1Å; N186-L190 PolarHBondContact O-N 2.87Å; N186-L190 VanDerWaalsContact O-N 3.16Å; T187-L190 WeakPolarHBondContact O-CB 3.1Å; T187-L190 PolarHBondContact O-N 3.27Å; L190-R192 VanDerWaalsContact C-N 3.29Å; L190-R192 PolarHBondContact O-N 2.9Å; L190-K193 PolarHBondContact O-N 2.87Å; L190-K194 PolarHBondContact O-N 3.03Å; L190-L197 HydrophobicContact CD1-CD1 4.02Å; L190-L197 HydrophobicContact CG-CD1 4.3Å; L190-V230 HydrophobicContact CD1-CG1 3.7Å; L190-V230 HydrophobicContact CD1-CG2 4.18Å; L190-F232 HydrophobicContact CB-CD2 4.05Å; L190-F232 HydrophobicContact CB-CE2 4Å; L190-F232 HydrophobicContact CD1-CD2 4.41Å; L190-F232 HydrophobicContact CD2-CD2 4.24Å; L190-F232 HydrophobicContact CD2-CE2 4.16Å; L190-F232 HydrophobicContact CG-CD2 4.47Å |
| 191 | L | 95.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.3 | -23.5 | -179.5 | -66.6 | -177.9 | 0 | 0 | 0 | 113.1 | T187 E188 D189 K195 L197 R198 V201 | T187-L191 HydrophobicContact CG2-CD1 4.3Å; T187-L191 HydrophobicContact CG2-CG 4.38Å; T187-L191 VanDerWaalsContact O-CG 3.31Å; T187-L191 WeakPolarHBondContact O-CG 3.25Å; T187-L191 PolarHBondContact O-N 3.04Å; E188-L191 PolarHBondContact O-N 3.2Å; D189-L191 PolarHBondContact O-N 2.7Å; L191-K195 VanDerWaalsContact O-CA 3.31Å; L191-K195 WeakPolarHBondContact O-CA 3.24Å; L191-K195 PolarHBondContact O-N 3.02Å; L191-L197 HydrophobicContact CD2-CB 4.09Å; L191-R198 HydrophobicContact CD2-CB 4.06Å; L191-V201 HydrophobicContact CD1-CG1 4.35Å; L191-V201 HydrophobicContact CD2-CB 4.38Å; L191-V201 HydrophobicContact CD2-CG2 4.01Å |
| 192 | R | 94.8 | Very high | 94.1 | Very high | 180 Ų | 180 | 69.5 Ų | 69.5 | 68% | 0.679 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.2 | -46 | 169.4 | -177.7 | 177.2 | 64.1 | 153.7 | 0.3 | 111 | E188 D189 L190 | E188-R192 WeakPolarHBondContact O-CB 3.47Å; E188-R192 PolarHBondContact O-N 3.11Å; D189-R192 WeakPolarHBondContact O-CB 3.5Å; D189-R192 PolarHBondContact O-N 3.48Å; D189-R192 IonicContact OD1-CZ 3.56Å; D189-R192 IonicContact OD1-NE 3.84Å; D189-R192 PolarHBondContact OD1-NE 3.05Å; D189-R192 IonicContact OD1-NH2 2.73Å; D189-R192 PolarHBondContact OD1-NH2 2.93Å; L190-R192 VanDerWaalsContact C-N 3.29Å; L190-R192 PolarHBondContact O-N 2.9Å |
| 193 | K | 91 | Very high | 94.1 | Very high | 100 Ų | 100 | 73.6 Ų | 73.6 | 44% | 0.435 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.9 | -34.7 | 179.3 | -71.3 | 170.9 | 174.8 | 164.8 | 0 | 113.2 | D189 L190 V230 | D189-K193 WeakPolarHBondContact O-CG 3.45Å; D189-K193 PolarHBondContact O-N 3.15Å; D189-K193 IonicContact OD1-NZ 3.13Å; D189-K193 VanDerWaalsContact OD2-CE 3.22Å; D189-K193 WeakPolarHBondContact OD2-CE 3.46Å; D189-K193 IonicContact OD2-NZ 3.62Å; D189-K193 PolarHBondContact OD2-NZ 3.33Å; L190-K193 PolarHBondContact O-N 2.87Å; K193-V230 HydrophobicContact CD-CG2 4.27Å |
| 194 | K | 92.4 | Very high | 94 | Very high | 12 Ų | 12 | 71 Ų | 71 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | trans | -135 | 74.6 | -174 | -59.9 | -69 | -171.7 | 176.7 | 0 | 110.1 | L190 F196 L197 H229 V230 I425 | L190-K194 PolarHBondContact O-N 3.03Å; K194-F196 HydrophobicContact CB-CE1 3.98Å; K194-F196 HydrophobicContact CB-CZ 4.12Å; K194-F196 HydrophobicContact CD-CE1 3.71Å; K194-F196 HydrophobicContact CD-CZ 3.83Å; K194-F196 HydrophobicContact CG-CE1 4.41Å; K194-F196 HydrophobicContact CG-CZ 4.41Å; K194-F196 PolarHBondContact O-N 3.46Å; K194-F196 VanDerWaalsContact O-N 3.17Å; K194-L197 HydrophobicContact CB-CD1 3.61Å; K194-L197 HydrophobicContact CB-CG 3.82Å; K194-L197 HydrophobicContact CG-CD1 4.2Å; K194-L197 WeakPolarHBondContact O-CB 2.88Å; K194-L197 PolarHBondContact O-N 2.85Å; K194-H229 WeakPolarHBondContact CE-O 3.4Å; K194-H229 PolarHBondContact NZ-O 2.87Å; K194-V230 HydrophobicContact CG-CB 4.35Å; K194-V230 HydrophobicContact CG-CG2 4.46Å; K194-I425 HydrophobicContact CD-CD1 4.36Å; K194-I425 VanDerWaalsContact NZ-CD1 3.27Å | ||
| 195 | K | 92.2 | Very high | 93.8 | Very high | 156 Ų | 156 | 71.6 Ų | 71.6 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -55.4 | -35.7 | -174.1 | -63.8 | 175.4 | -174.6 | 168.1 | 0 | 113.4 | L191 L197 R198 | L191-K195 VanDerWaalsContact O-CA 3.31Å; L191-K195 WeakPolarHBondContact O-CA 3.24Å; L191-K195 PolarHBondContact O-N 3.02Å; K195-L197 PolarHBondContact O-N 3.19Å; K195-R198 WeakPolarHBondContact O-CB 3.25Å; K195-R198 PolarHBondContact O-N 3.3Å; K195-R198 VanDerWaalsContact O-N 3.12Å |
| 196 | F | 90.6 | Very high | 93.7 | Very high | 92 Ų | 92 | 71.6 Ų | 71.6 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -63.9 | -21.9 | -179.5 | 62.1 | -93.4 | 0 | 0 | 0 | 113.8 | K194 R198 I423 I425 | K194-F196 HydrophobicContact CB-CE1 3.98Å; K194-F196 HydrophobicContact CB-CZ 4.12Å; K194-F196 HydrophobicContact CD-CE1 3.71Å; K194-F196 HydrophobicContact CD-CZ 3.83Å; K194-F196 HydrophobicContact CG-CE1 4.41Å; K194-F196 HydrophobicContact CG-CZ 4.41Å; K194-F196 PolarHBondContact O-N 3.46Å; K194-F196 VanDerWaalsContact O-N 3.17Å; F196-R198 PolarHBondContact O-N 2.8Å; F196-I423 HydrophobicContact CE2-CG2 3.67Å; F196-I423 HydrophobicContact CZ-CG2 3.95Å; F196-I425 HydrophobicContact CE1-CG1 4.19Å; F196-I425 HydrophobicContact CE1-CG2 4.26Å; F196-I425 HydrophobicContact CZ-CD1 3.9Å; F196-I425 HydrophobicContact CZ-CG1 3.74Å |
| 197 | L | 92.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -71.8 | -11.6 | 176.2 | -61.3 | -177.8 | 0 | 0 | 0 | 113.2 | L190 L191 K194 K195 S199 E200 V201 L206 L228 | L190-L197 HydrophobicContact CD1-CD1 4.02Å; L190-L197 HydrophobicContact CG-CD1 4.3Å; L191-L197 HydrophobicContact CD2-CB 4.09Å; K194-L197 HydrophobicContact CB-CD1 3.61Å; K194-L197 HydrophobicContact CB-CG 3.82Å; K194-L197 HydrophobicContact CG-CD1 4.2Å; K194-L197 WeakPolarHBondContact O-CB 2.88Å; K194-L197 PolarHBondContact O-N 2.85Å; K195-L197 PolarHBondContact O-N 3.19Å; L197-S199 PolarHBondContact O-N 2.91Å; L197-E200 PolarHBondContact O-N 3.39Å; L197-V201 WeakPolarHBondContact O-CG2 3.44Å; L197-V201 PolarHBondContact O-N 3Å; L197-L206 HydrophobicContact CB-CD2 4.44Å; L197-L206 HydrophobicContact CD1-CD2 4.4Å; L197-L206 HydrophobicContact CD2-CD1 3.86Å; L197-L228 HydrophobicContact CD1-CD1 4.45Å |
| 198 | R | 93.6 | Very high | 93.8 | Very high | 118 Ų | 118 | 67.2 Ų | 67.2 | 45% | 0.445 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.3 | -47.4 | -176.2 | 180 | 176.5 | -63.1 | -79.3 | -1.5 | 112.5 | L191 K195 F196 E200 V201 E202 | L191-R198 HydrophobicContact CD2-CB 4.06Å; K195-R198 WeakPolarHBondContact O-CB 3.25Å; K195-R198 PolarHBondContact O-N 3.3Å; K195-R198 VanDerWaalsContact O-N 3.12Å; F196-R198 PolarHBondContact O-N 2.8Å; R198-E200 VanDerWaalsContact C-N 3.31Å; R198-E200 PolarHBondContact O-N 3.32Å; R198-V201 PolarHBondContact O-N 2.98Å; R198-E202 WeakPolarHBondContact CD-OE1 3Å; R198-E202 HydrophobicContact CG-CG 4.32Å; R198-E202 WeakPolarHBondContact CG-OE1 3.49Å; R198-E202 IonicContact NH1-OE1 3.67Å; R198-E202 WeakPolarHBondContact O-CB 3.37Å; R198-E202 VanDerWaalsContact O-CG 3.32Å; R198-E202 WeakPolarHBondContact O-CG 3.4Å; R198-E202 PolarHBondContact O-N 3.18Å |
| 199 | S | 93.6 | Very high | 94 | Very high | 75 Ų | 75 | 61 Ų | 61 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 179.8 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | L197 E202 T203 | L197-S199 PolarHBondContact O-N 2.91Å; S199-E202 PolarHBondContact O-N 3Å; S199-T203 WeakPolarHBondContact O-CB 3.44Å; S199-T203 WeakPolarHBondContact O-CG2 3.42Å; S199-T203 PolarHBondContact O-N 3.4Å; S199-T203 PolarHBondContact O-OG1 3.35Å |
| 200 | E | 92.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 59.3 Ų | 59.3 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.3 | -33 | -180 | -62.9 | -172.5 | -167.4 | 0 | 0 | 112.9 | L197 R198 N204 T205 L206 | L197-E200 PolarHBondContact O-N 3.39Å; R198-E200 VanDerWaalsContact C-N 3.31Å; R198-E200 PolarHBondContact O-N 3.32Å; E200-N204 WeakPolarHBondContact O-CA 3.31Å; E200-N204 PolarHBondContact O-N 2.96Å; E200-T205 WeakPolarHBondContact CA-OG1 3.45Å; E200-T205 PolarHBondContact O-N 3.17Å; E200-T205 PolarHBondContact O-OG1 2.93Å; E200-L206 HydrophobicContact CB-CB 3.72Å; E200-L206 HydrophobicContact CB-CD1 4.4Å; E200-L206 PolarHBondContact O-N 2.65Å; E200-L206 WeakPolarHBondContact OE2-CD1 3.45Å |
| 201 | V | 93 | Very high | 94.3 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 11% | 0.109 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 172.4 | 164.5 | 0 | 0 | 0 | 0 | 110.9 | Y182 T187 L191 L197 R198 N204 L206 | Y182-V201 HydrophobicContact CD1-CG2 4.47Å; Y182-V201 HydrophobicContact CD2-CG1 4.02Å; Y182-V201 HydrophobicContact CD2-CG2 4.06Å; Y182-V201 HydrophobicContact CE1-CG2 4.47Å; Y182-V201 HydrophobicContact CE2-CB 4.19Å; Y182-V201 HydrophobicContact CE2-CG1 3.65Å; Y182-V201 HydrophobicContact CE2-CG2 4.06Å; Y182-V201 HydrophobicContact CG-CG2 4.26Å; Y182-V201 PolarHBondContact OH-O 2.98Å; T187-V201 HydrophobicContact CG2-CG1 4.04Å; L191-V201 HydrophobicContact CD1-CG1 4.35Å; L191-V201 HydrophobicContact CD2-CB 4.38Å; L191-V201 HydrophobicContact CD2-CG2 4.01Å; L197-V201 WeakPolarHBondContact O-CG2 3.44Å; L197-V201 PolarHBondContact O-N 3Å; R198-V201 PolarHBondContact O-N 2.98Å; V201-N204 PolarHBondContact O-N 3.37Å; V201-L206 HydrophobicContact CG2-CB 4.38Å; V201-L206 HydrophobicContact CG2-CD2 3.58Å |
| 202 | E | 93.7 | Very high | 94.4 | Very high | 134 Ų | 134 | 60.5 Ų | 60.5 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.4 | -37.8 | -178.7 | -73.1 | 170.6 | -176.1 | 0 | 0 | 112.3 | R198 S199 N204 | R198-E202 WeakPolarHBondContact CD-OE1 3Å; R198-E202 HydrophobicContact CG-CG 4.32Å; R198-E202 WeakPolarHBondContact CG-OE1 3.49Å; R198-E202 IonicContact NH1-OE1 3.67Å; R198-E202 WeakPolarHBondContact O-CB 3.37Å; R198-E202 VanDerWaalsContact O-CG 3.32Å; R198-E202 WeakPolarHBondContact O-CG 3.4Å; R198-E202 PolarHBondContact O-N 3.18Å; S199-E202 PolarHBondContact O-N 3Å; E202-N204 VanDerWaalsContact C-N 3.31Å |
| 203 | T | 94.7 | Very high | 94.6 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 53% | 0.534 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -0.2 | 177 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | S199 T205 | S199-T203 WeakPolarHBondContact O-CB 3.44Å; S199-T203 WeakPolarHBondContact O-CG2 3.42Å; S199-T203 PolarHBondContact O-N 3.4Å; S199-T203 PolarHBondContact O-OG1 3.35Å; T203-T205 VanDerWaalsContact C-N 3.33Å; T203-T205 PolarHBondContact O-N 2.93Å; T203-T205 PolarHBondContact OG1-OG1 3.33Å; T203-T205 VanDerWaalsContact OG1-OG1 3.1Å |
| 204 | N | 93.6 | Very high | 94.9 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 20% | 0.198 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 45.6 | 179.8 | -176.7 | 65.9 | 0 | 0 | 0 | 112.6 | R179 R180 Y182 E200 V201 E202 | R179-N204 WeakPolarHBondContact CD-O 3.38Å; R180-N204 WeakPolarHBondContact CD-OD1 3.39Å; R180-N204 WeakPolarHBondContact CG-OD1 3.47Å; R180-N204 PolarHBondContact NE-ND2 3.18Å; R180-N204 PolarHBondContact NE-OD1 3.46Å; R180-N204 PolarHBondContact NH2-ND2 3.33Å; Y182-N204 PolarHBondContact OH-OD1 2.9Å; E200-N204 WeakPolarHBondContact O-CA 3.31Å; E200-N204 PolarHBondContact O-N 2.96Å; V201-N204 PolarHBondContact O-N 3.37Å; E202-N204 VanDerWaalsContact C-N 3.31Å |
| 205 | T | 93.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | trans | -116 | -11.4 | 177.6 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | E200 T203 G207 | E200-T205 WeakPolarHBondContact CA-OG1 3.45Å; E200-T205 PolarHBondContact O-N 3.17Å; E200-T205 PolarHBondContact O-OG1 2.93Å; T203-T205 VanDerWaalsContact C-N 3.33Å; T203-T205 PolarHBondContact O-N 2.93Å; T203-T205 PolarHBondContact OG1-OG1 3.33Å; T203-T205 VanDerWaalsContact OG1-OG1 3.1Å; T205-G207 PolarHBondContact O-N 2.88Å | ||
| 206 | L | 95 | Very high | 95.4 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -66.2 | 113.9 | 178.9 | -178.4 | 62.9 | 0 | 0 | 0 | 111.5 | R179 Y182 L197 E200 V201 L228 | R179-L206 WeakPolarHBondContact CA-O 3.31Å; R179-L206 WeakPolarHBondContact CG-O 3.49Å; Y182-L206 HydrophobicContact CD1-CB 4.24Å; Y182-L206 HydrophobicContact CD1-CD2 3.85Å; Y182-L206 HydrophobicContact CD1-CG 4.24Å; Y182-L206 HydrophobicContact CE1-CB 3.84Å; Y182-L206 HydrophobicContact CE1-CD2 4.27Å; Y182-L206 HydrophobicContact CE1-CG 4.34Å; Y182-L206 HydrophobicContact CG-CD2 4.41Å; L197-L206 HydrophobicContact CB-CD2 4.44Å; L197-L206 HydrophobicContact CD1-CD2 4.4Å; L197-L206 HydrophobicContact CD2-CD1 3.86Å; E200-L206 HydrophobicContact CB-CB 3.72Å; E200-L206 HydrophobicContact CB-CD1 4.4Å; E200-L206 PolarHBondContact O-N 2.65Å; E200-L206 WeakPolarHBondContact OE2-CD1 3.45Å; V201-L206 HydrophobicContact CG2-CB 4.38Å; V201-L206 HydrophobicContact CG2-CD2 3.58Å; L206-L228 HydrophobicContact CD1-CD1 3.79Å; L206-L228 HydrophobicContact CD1-CD2 4.24Å; L206-L228 HydrophobicContact CD2-CD1 4.39Å; L206-L228 HydrophobicContact CG-CD1 4.33Å |
| 207 | G | 96.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 95.1 | -178 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | W177 T205 P209 | W177-G207 CarbonylContact O-C 3.51Å; W177-G207 VanDerWaalsContact O-CA 3.25Å; W177-G207 WeakPolarHBondContact O-CA 3.48Å; T205-G207 PolarHBondContact O-N 2.88Å; G207-P209 WeakPolarHBondContact O-CD 3.46Å |
| 208 | S | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -91.8 | 121.1 | -170.6 | 169.5 | 0 | 0 | 0 | 0 | 113 | Y128 D176 W177 R179 A210 A211 E212 | Y128-S208 WeakPolarHBondContact CB-OG 3.26Å; D176-S208 WeakPolarHBondContact OD1-CB 3.25Å; D176-S208 VanDerWaalsContact OD2-CB 3.26Å; D176-S208 WeakPolarHBondContact OD2-CB 3.25Å; W177-S208 PolarHBondContact O-N 2.65Å; R179-S208 PolarHBondContact N-O 2.93Å; S208-A210 VanDerWaalsContact C-N 3.25Å; S208-A210 PolarHBondContact O-N 3.12Å; S208-A210 PolarHBondContact OG-N 3.29Å; S208-A211 PolarHBondContact O-N 3.29Å; S208-A211 PolarHBondContact OG-N 3.24Å; S208-E212 PolarHBondContact O-N 3.12Å |
| 209 | P | 98.2 | Very high | 96 | Very high | 32 Ų | 32 | 39.2 Ų | 39.2 | 21% | 0.208 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -33 | 168.9 | -22.4 | 33.8 | 0 | 0 | 0 | 112.9 | Y128 G207 E212 E213 | Y128-P209 VanDerWaalsContact CD1-CD 3.46Å; Y128-P209 HydrophobicContact CD1-CG 4.15Å; Y128-P209 HydrophobicContact CE1-CG 3.8Å; G207-P209 WeakPolarHBondContact O-CD 3.46Å; P209-E212 WeakPolarHBondContact O-CB 3.03Å; P209-E212 PolarHBondContact O-N 2.92Å; P209-E213 PolarHBondContact O-N 3.35Å |
| 210 | A | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y128 Y133 I154 V159 S208 E213 L214 | Y128-A210 HydrophobicContact CD2-CB 3.82Å; Y128-A210 HydrophobicContact CE2-CB 4.3Å; Y133-A210 HydrophobicContact CE2-CB 3.89Å; I154-A210 HydrophobicContact CG2-CB 4.2Å; V159-A210 HydrophobicContact CG2-CB 3.78Å; S208-A210 VanDerWaalsContact C-N 3.25Å; S208-A210 PolarHBondContact O-N 3.12Å; S208-A210 PolarHBondContact OG-N 3.29Å; A210-E213 PolarHBondContact O-N 3.05Å; A210-L214 WeakPolarHBondContact O-CG 3.42Å; A210-L214 PolarHBondContact O-N 3.04Å; A210-L214 VanDerWaalsContact O-N 3.09Å |
| 211 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.9 | -35.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P178 S208 E213 L214 L215 W223 | P178-A211 HydrophobicContact CB-CB 4.19Å; P178-A211 HydrophobicContact CG-CB 4.12Å; S208-A211 PolarHBondContact O-N 3.29Å; S208-A211 PolarHBondContact OG-N 3.24Å; A211-E213 VanDerWaalsContact C-N 3.34Å; A211-E213 PolarHBondContact O-N 2.82Å; A211-L214 PolarHBondContact O-N 3.06Å; A211-L215 VanDerWaalsContact O-CB 3.26Å; A211-L215 WeakPolarHBondContact O-CB 3.09Å; A211-L215 PolarHBondContact O-N 3.07Å; A211-W223 HydrophobicContact CB-CH2 4.42Å; A211-W223 HydrophobicContact CB-CZ2 3.88Å; A211-W223 WeakPolarHBondContact O-CH2 3.44Å |
| 212 | E | 98.3 | Very high | 96.7 | Very high | 40 Ų | 40 | 34.3 Ų | 34.3 | 19% | 0.187 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.3 | -47.5 | 171.1 | 179.6 | -173.7 | -176.4 | 0 | 0 | 111.1 | R179 R180 S208 P209 L215 A216 | R179-E212 HydrophobicContact CB-CB 4.11Å; R179-E212 IonicContact CZ-OE2 3.3Å; R179-E212 IonicContact NE-OE2 3.08Å; R179-E212 PolarHBondContact NE-OE2 3.34Å; R179-E212 IonicContact NH2-OE2 3.9Å; R179-E212 PolarHBondContact NH2-OE2 2.86Å; R180-E212 WeakPolarHBondContact CD-OE1 3.38Å; R180-E212 IonicContact CZ-OE1 3.28Å; R180-E212 IonicContact NE-OE1 2.73Å; R180-E212 IonicContact NH1-OE1 2.92Å; R180-E212 PolarHBondContact NH1-OE1 3.45Å; S208-E212 PolarHBondContact O-N 3.12Å; P209-E212 WeakPolarHBondContact O-CB 3.03Å; P209-E212 PolarHBondContact O-N 2.92Å; E212-L215 PolarHBondContact O-N 2.72Å; E212-A216 WeakPolarHBondContact O-CB 3.19Å; E212-A216 PolarHBondContact O-N 3.3Å |
| 213 | E | 97.7 | Very high | 96.9 | Very high | 78 Ų | 78 | 27.9 Ų | 27.9 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 178.8 | -176.1 | 177.8 | -180 | 0 | 0 | 112.1 | K163 P209 A210 A211 A216 H217 | K163-E213 HydrophobicContact CD-CG 4.28Å; K163-E213 VanDerWaalsContact CD-OE1 3.28Å; K163-E213 WeakPolarHBondContact CD-OE1 3.41Å; K163-E213 WeakPolarHBondContact CE-OE1 3.45Å; K163-E213 IonicContact NZ-OE1 3.9Å; K163-E213 PolarHBondContact NZ-OE1 3.42Å; P209-E213 PolarHBondContact O-N 3.35Å; A210-E213 PolarHBondContact O-N 3.05Å; A211-E213 VanDerWaalsContact C-N 3.34Å; A211-E213 PolarHBondContact O-N 2.82Å; E213-A216 PolarHBondContact O-N 3.4Å; E213-H217 VanDerWaalsContact O-CB 3.24Å; E213-H217 WeakPolarHBondContact O-CB 3.41Å; E213-H217 PolarHBondContact O-N 3.01Å |
| 214 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.4 | -40.3 | 178 | -70.4 | 173.1 | 0 | 0 | 0 | 112.5 | L124 V159 L162 K163 F172 A210 A211 A216 H217 L218 W223 | L124-L214 HydrophobicContact CD2-CD1 3.69Å; V159-L214 HydrophobicContact CG1-CD1 4.38Å; V159-L214 HydrophobicContact CG1-CD2 4Å; V159-L214 HydrophobicContact CG1-CG 4.02Å; V159-L214 HydrophobicContact CG2-CD1 4.33Å; L162-L214 HydrophobicContact CB-CD2 3.62Å; L162-L214 HydrophobicContact CD1-CD1 3.76Å; L162-L214 HydrophobicContact CD1-CD2 4.37Å; K163-L214 HydrophobicContact CG-CD2 3.91Å; F172-L214 HydrophobicContact CE1-CD1 4.42Å; F172-L214 HydrophobicContact CZ-CD1 4.14Å; A210-L214 WeakPolarHBondContact O-CG 3.42Å; A210-L214 PolarHBondContact O-N 3.04Å; A210-L214 VanDerWaalsContact O-N 3.09Å; A211-L214 PolarHBondContact O-N 3.06Å; L214-A216 PolarHBondContact O-N 3.23Å; L214-H217 PolarHBondContact O-N 3.42Å; L214-L218 HydrophobicContact CB-CD1 4.3Å; L214-L218 HydrophobicContact CD2-CD1 4.23Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 2.93Å; L214-W223 HydrophobicContact CB-CH2 3.93Å; L214-W223 HydrophobicContact CB-CZ3 4.39Å |
| 215 | L | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 176 | 174.3 | 60 | 0 | 0 | 0 | 111 | P178 I181 A211 E212 H217 Q219 W223 M236 H238 T249 | P178-L215 HydrophobicContact CB-CB 4.28Å; P178-L215 HydrophobicContact CB-CD2 3.66Å; P178-L215 HydrophobicContact CG-CB 4.41Å; P178-L215 HydrophobicContact CG-CD2 3.91Å; I181-L215 HydrophobicContact CD1-CD2 3.92Å; A211-L215 VanDerWaalsContact O-CB 3.26Å; A211-L215 WeakPolarHBondContact O-CB 3.09Å; A211-L215 PolarHBondContact O-N 3.07Å; E212-L215 PolarHBondContact O-N 2.72Å; L215-H217 VanDerWaalsContact C-N 3.32Å; L215-H217 PolarHBondContact O-N 3.05Å; L215-Q219 WeakPolarHBondContact O-CA 3.43Å; L215-Q219 PolarHBondContact O-N 2.79Å; L215-Q219 VanDerWaalsContact O-N 3.08Å; L215-W223 VanDerWaalsContact CA-CZ3 3.41Å; L215-W223 HydrophobicContact CB-CE3 3.87Å; L215-W223 HydrophobicContact CB-CH2 4.08Å; L215-W223 HydrophobicContact CB-CZ3 3.63Å; L215-W223 HydrophobicContact CD1-CD2 4.13Å; L215-W223 HydrophobicContact CD1-CE3 3.52Å; L215-W223 HydrophobicContact CD1-CZ3 4.13Å; L215-W223 HydrophobicContact CG-CE3 4.24Å; L215-W223 HydrophobicContact CG-CZ3 4.47Å; L215-M236 HydrophobicContact CD1-SD 4.43Å; L215-M236 HydrophobicContact CD2-SD 3.51Å; L215-M236 VanDerWaalsContact CD2-SD 3.51Å; L215-M236 HydrophobicContact CG-SD 3.84Å; L215-H238 PolarHBondContact O-CE1 3.44Å; L215-H238 VanDerWaalsContact O-CE1 3.24Å; L215-T249 HydrophobicContact CD1-CG2 3.73Å |
| 216 | A | 96.3 | Very high | 97.5 | Very high | 49 Ų | 49 | 18.5 Ų | 18.5 | 41% | 0.405 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -65.6 | -35 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E212 E213 L214 Q219 | E212-A216 WeakPolarHBondContact O-CB 3.19Å; E212-A216 PolarHBondContact O-N 3.3Å; E213-A216 PolarHBondContact O-N 3.4Å; L214-A216 PolarHBondContact O-N 3.23Å; A216-Q219 VanDerWaalsContact O-CG 3.22Å; A216-Q219 WeakPolarHBondContact O-CG 3.38Å; A216-Q219 PolarHBondContact O-NE2 2.9Å |
| 217 | H | 95.9 | Very high | 97.6 | Very high | 64 Ų | 64 | 19.5 Ų | 19.5 | 30% | 0.296 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -77.7 | -54.4 | -177.8 | -175.3 | 82.6 | 0 | 0 | 0 | 113 | K163 E213 L214 L215 K241 | K163-H217 PolarHBondContact O-NE2 2.66Å; E213-H217 VanDerWaalsContact O-CB 3.24Å; E213-H217 WeakPolarHBondContact O-CB 3.41Å; E213-H217 PolarHBondContact O-N 3.01Å; L214-H217 PolarHBondContact O-N 3.42Å; L215-H217 VanDerWaalsContact C-N 3.32Å; L215-H217 PolarHBondContact O-N 3.05Å; H217-K241 PolarHBondContact O-NZ 3.26Å |
| 218 | L | 96.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 19 Ų | 19 | 6% | 0.058 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -80.5 | -32.7 | -173.3 | -61.3 | 171.5 | 0 | 0 | 0 | 112.5 | I165 I169 F172 L214 R247 | I165-L218 HydrophobicContact CB-CD2 4.08Å; I165-L218 HydrophobicContact CG2-CD2 4.28Å; I169-L218 HydrophobicContact CD1-CD1 3.85Å; I169-L218 HydrophobicContact CD1-CD2 4Å; I169-L218 HydrophobicContact CD1-CG 4.34Å; F172-L218 HydrophobicContact CD2-CD1 3.76Å; F172-L218 HydrophobicContact CE2-CD1 3.54Å; F172-L218 HydrophobicContact CZ-CD1 4.26Å; L214-L218 HydrophobicContact CB-CD1 4.3Å; L214-L218 HydrophobicContact CD2-CD1 4.23Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 2.93Å; L218-R247 PolarHBondContact O-NH1 3.36Å |
| 219 | Q | 96.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 19.9 Ų | 19.9 | 4% | 0.037 | 11% | 0.109 | C | C | . | . | trans | 49.5 | 51.9 | 179.7 | -49.4 | -174.9 | -20 | 0 | 0 | 113.1 | L215 A216 H238 R247 | L215-Q219 WeakPolarHBondContact O-CA 3.43Å; L215-Q219 PolarHBondContact O-N 2.79Å; L215-Q219 VanDerWaalsContact O-N 3.08Å; A216-Q219 VanDerWaalsContact O-CG 3.22Å; A216-Q219 WeakPolarHBondContact O-CG 3.38Å; A216-Q219 PolarHBondContact O-NE2 2.9Å; Q219-H238 HydrophobicContact CG-CB 4.18Å; Q219-H238 WeakPolarHBondContact CG-ND1 3.46Å; Q219-R247 HydrophobicContact CB-CB 4.49Å; Q219-R247 PolarHBondContact O-NE 2.69Å; Q219-R247 PolarHBondContact O-NH1 3Å; Q219-R247 PolarHBondContact O-NH2 3.27Å | ||
| 220 | P | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -65.5 | 160 | -174.9 | 31.7 | -37.6 | 0 | 0 | 0 | 111.7 | I169 F172 Y222 W223 T249 | I169-P220 HydrophobicContact CB-CB 4.37Å; I169-P220 HydrophobicContact CG2-CB 4.15Å; I169-P220 VanDerWaalsContact O-CA 3.27Å; I169-P220 WeakPolarHBondContact O-CA 3.37Å; F172-P220 HydrophobicContact CB-CB 4.06Å; F172-P220 HydrophobicContact CB-CG 3.71Å; P220-Y222 VanDerWaalsContact C-N 3.3Å; P220-Y222 PolarHBondContact O-N 3.35Å; P220-W223 HydrophobicContact CG-CE3 3.72Å; P220-W223 HydrophobicContact CG-CZ3 4.34Å; P220-T249 HydrophobicContact CG-CG2 4.33Å; P220-T249 WeakPolarHBondContact O-CA 3.44Å; P220-T249 VanDerWaalsContact O-CB 3.26Å; P220-T249 WeakPolarHBondContact O-CB 3.39Å; P220-T249 WeakPolarHBondContact O-CG2 3.45Å; P220-T249 PolarHBondContact O-OG1 2.99Å | ||
| 221 | S | 96.7 | Very high | 97 | Very high | 48 Ų | 48 | 21.4 Ų | 21.4 | 34% | 0.336 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -66 | -35.8 | 176.5 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | D170 K250 | D170-S221 WeakPolarHBondContact O-CB 3.31Å; D170-S221 PolarHBondContact O-N 2.75Å; D170-S221 VanDerWaalsContact O-N 3.12Å; S221-K250 PolarHBondContact O-N 3.17Å |
| 222 | Y | 98.5 | Very high | 97 | Very high | 24 Ų | 24 | 21.9 Ų | 21.9 | 9% | 0.094 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.2 | 177.8 | -64.8 | -92.2 | 0 | 0 | 0 | 111 | D170 F172 P220 F224 K250 I269 M451 | D170-Y222 PolarHBondContact O-N 3.09Å; F172-Y222 PolarHBondContact N-O 3.15Å; P220-Y222 VanDerWaalsContact C-N 3.3Å; P220-Y222 PolarHBondContact O-N 3.35Å; Y222-F224 HydrophobicContact CD1-CE1 4.09Å; Y222-F224 AromaticContact CD1-CZ 3.8Å; Y222-F224 HydrophobicContact CD1-CZ 3.8Å; Y222-F224 AromaticContact CG-CZ 3.99Å; Y222-F224 HydrophobicContact CG-CZ 3.99Å; Y222-K250 WeakPolarHBondContact CA-O 3.47Å; Y222-K250 HydrophobicContact CD1-CB 3.92Å; Y222-K250 HydrophobicContact CD1-CD 4.08Å; Y222-K250 HydrophobicContact CE1-CB 4.13Å; Y222-K250 HydrophobicContact CE1-CD 3.46Å; Y222-K250 VanDerWaalsContact CE1-CD 3.46Å; Y222-K250 HydrophobicContact CE1-CG 4.44Å; Y222-K250 PolarHBondContact OH-NZ 3.14Å; Y222-I269 HydrophobicContact CD2-CD1 3.75Å; Y222-I269 HydrophobicContact CD2-CG1 4.4Å; Y222-I269 HydrophobicContact CE2-CD1 3.83Å; Y222-I269 HydrophobicContact CE2-CG1 3.96Å; Y222-I269 HydrophobicContact CG-CD1 4.14Å; Y222-M451 HydrophobicContact CE1-CE 4.34Å |
| 223 | W | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.2 | 169.6 | -168.8 | -65.2 | 0 | 0 | 0 | 109.4 | F172 S174 P178 A211 L214 L215 P220 S225 T249 K250 F251 L252 | F172-W223 HydrophobicContact CB-CD2 4.25Å; F172-W223 HydrophobicContact CB-CE3 3.77Å; F172-W223 HydrophobicContact CB-CZ3 3.98Å; F172-W223 HydrophobicContact CD1-CD2 4.09Å; F172-W223 AromaticContact CD1-CE2 3.89Å; F172-W223 AromaticContact CD1-CE3 3.81Å; F172-W223 HydrophobicContact CD1-CE3 3.81Å; F172-W223 AromaticContact CD1-CH2 3.2Å; F172-W223 HydrophobicContact CD1-CH2 3.2Å; F172-W223 AromaticContact CD1-CZ2 3.48Å; F172-W223 HydrophobicContact CD1-CZ2 3.48Å; F172-W223 VanDerWaalsContact CD1-CZ2 3.48Å; F172-W223 AromaticContact CD1-CZ3 3.36Å; F172-W223 HydrophobicContact CD1-CZ3 3.36Å; F172-W223 AromaticContact CE1-CH2 3.46Å; F172-W223 HydrophobicContact CE1-CH2 3.46Å; F172-W223 VanDerWaalsContact CE1-CH2 3.46Å; F172-W223 AromaticContact CE1-CZ2 3.81Å; F172-W223 HydrophobicContact CE1-CZ2 3.81Å; F172-W223 HydrophobicContact CE1-CZ3 4.01Å; F172-W223 HydrophobicContact CG-CE3 4.04Å; F172-W223 HydrophobicContact CG-CH2 4.05Å; F172-W223 AromaticContact CG-CZ3 3.74Å; F172-W223 HydrophobicContact CG-CZ3 3.74Å; F172-W223 HydrophobicContact CZ-CH2 4.48Å; F172-W223 CarbonylContact O-C 3.45Å; F172-W223 VanDerWaalsContact O-CA 3.32Å; F172-W223 WeakPolarHBondContact O-CA 3.44Å; S174-W223 WeakPolarHBondContact OG-CZ2 3.07Å; S174-W223 PolarHBondContact OG-NE1 3.33Å; P178-W223 HydrophobicContact CG-CD2 3.92Å; P178-W223 HydrophobicContact CG-CG 4.23Å; P178-W223 HydrophobicContact CG-CH2 4.46Å; P178-W223 HydrophobicContact CG-CZ2 3.65Å; P178-W223 VanDerWaalsContact CG-NE1 3.3Å; A211-W223 HydrophobicContact CB-CH2 4.42Å; A211-W223 HydrophobicContact CB-CZ2 3.88Å; A211-W223 WeakPolarHBondContact O-CH2 3.44Å; L214-W223 HydrophobicContact CB-CH2 3.93Å; L214-W223 HydrophobicContact CB-CZ3 4.39Å; L215-W223 VanDerWaalsContact CA-CZ3 3.41Å; L215-W223 HydrophobicContact CB-CE3 3.87Å; L215-W223 HydrophobicContact CB-CH2 4.08Å; L215-W223 HydrophobicContact CB-CZ3 3.63Å; L215-W223 HydrophobicContact CD1-CD2 4.13Å; L215-W223 HydrophobicContact CD1-CE3 3.52Å; L215-W223 HydrophobicContact CD1-CZ3 4.13Å; L215-W223 HydrophobicContact CG-CE3 4.24Å; L215-W223 HydrophobicContact CG-CZ3 4.47Å; P220-W223 HydrophobicContact CG-CE3 3.72Å; P220-W223 HydrophobicContact CG-CZ3 4.34Å; W223-S225 PolarHBondContact NE1-OG 3.33Å; W223-S225 VanDerWaalsContact NE1-OG 3.13Å; W223-T249 HydrophobicContact CB-CG2 3.71Å; W223-K250 PolarHBondContact N-O 3.12Å; W223-F251 HydrophobicContact CB-CD2 4.07Å; W223-F251 AromaticContact CD1-CD2 3.57Å; W223-F251 AromaticContact CD1-CE2 3.63Å; W223-F251 HydrophobicContact CG-CD2 4.03Å; W223-F251 HydrophobicContact CG-CE2 4.49Å; W223-F251 VanDerWaalsContact O-CA 3.32Å; W223-F251 WeakPolarHBondContact O-CA 3.36Å; W223-L252 PolarHBondContact O-N 2.91Å |
| 224 | F | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.4 | -179.5 | -57.1 | -45.6 | 0 | 0 | 0 | 111.5 | V5 L35 I171 F172 M173 S174 Y222 L252 V267 | V5-F224 HydrophobicContact CG1-CB 3.89Å; V5-F224 HydrophobicContact CG1-CD1 4.03Å; V5-F224 HydrophobicContact CG1-CD2 4.04Å; V5-F224 HydrophobicContact CG1-CG 3.72Å; V5-F224 HydrophobicContact CG2-CD1 4.3Å; V5-F224 HydrophobicContact CG2-CD2 3.9Å; V5-F224 HydrophobicContact CG2-CE1 4.09Å; V5-F224 HydrophobicContact CG2-CE2 3.67Å; V5-F224 HydrophobicContact CG2-CG 4.23Å; V5-F224 HydrophobicContact CG2-CZ 3.78Å; L35-F224 HydrophobicContact CD1-CD2 4.06Å; L35-F224 HydrophobicContact CD1-CE2 4.15Å; I171-F224 HydrophobicContact CD1-CE2 4.45Å; I171-F224 HydrophobicContact CG2-CD2 3.52Å; I171-F224 HydrophobicContact CG2-CE2 3.54Å; F172-F224 PolarHBondContact O-N 3.44Å; M173-F224 WeakPolarHBondContact CA-O 3.42Å; S174-F224 PolarHBondContact N-O 3.25Å; Y222-F224 HydrophobicContact CD1-CE1 4.09Å; Y222-F224 AromaticContact CD1-CZ 3.8Å; Y222-F224 HydrophobicContact CD1-CZ 3.8Å; Y222-F224 AromaticContact CG-CZ 3.99Å; Y222-F224 HydrophobicContact CG-CZ 3.99Å; F224-L252 WeakPolarHBondContact CA-O 3.48Å; F224-L252 HydrophobicContact CD1-CB 3.92Å; F224-L252 HydrophobicContact CD1-CD2 4.49Å; F224-L252 HydrophobicContact CE1-CB 4.12Å; F224-L252 HydrophobicContact CE1-CD2 4.39Å; F224-V267 HydrophobicContact CZ-CG2 4.1Å |
| 225 | S | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 173.4 | 179.3 | -62.1 | 0 | 0 | 0 | 0 | 114 | S174 D176 W223 L252 S253 L254 | S174-S225 WeakPolarHBondContact O-CA 3.34Å; S174-S225 VanDerWaalsContact O-CB 3.25Å; S174-S225 WeakPolarHBondContact O-CB 3.44Å; S174-S225 PolarHBondContact O-OG 2.95Å; S174-S225 VanDerWaalsContact O-OG 3.05Å; S174-S225 PolarHBondContact OG-OG 3.03Å; D176-S225 PolarHBondContact O-OG 3.38Å; W223-S225 PolarHBondContact NE1-OG 3.33Å; W223-S225 VanDerWaalsContact NE1-OG 3.13Å; S225-L252 PolarHBondContact N-O 3.45Å; S225-S253 WeakPolarHBondContact O-CA 3.4Å; S225-L254 PolarHBondContact O-N 3.44Å |
| 226 | A | 96.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | trans | -142.7 | -129.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111 | G7 C37 H175 W177 L228 | G7-A226 VanDerWaalsContact O-CB 3.31Å; G7-A226 WeakPolarHBondContact O-CB 3.35Å; C37-A226 HydrophobicContact CB-CB 3.75Å; H175-A226 CarbonylContact O-C 3.52Å; H175-A226 VanDerWaalsContact O-C 3.26Å; H175-A226 PolarHBondContact O-N 2.96Å; W177-A226 PolarHBondContact NE1-O 3.03Å; A226-L228 PolarHBondContact O-N 3.2Å | ||
| 227 | H | 96.2 | Very high | 96.8 | Very high | 25 Ų | 25 | 19.7 Ų | 19.7 | 12% | 0.116 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 67.9 | -51.9 | 173.3 | -167.2 | 58.1 | 0 | 0 | 0 | 116 | C8 N85 H175 H229 I423 | C8-H227 PolarHBondContact SG-N 3.36Å; N85-H227 PolarHBondContact OD1-CE1 2.77Å; N85-H227 PolarHBondContact OD1-ND1 2.77Å; H175-H227 AromaticContact CD2-CG 3.76Å; H175-H227 AromaticContact CD2-ND1 3.53Å; H175-H227 WeakPolarHBondContact NE2-CB 3.5Å; H175-H227 AromaticContact NE2-CG 3.67Å; H175-H227 AromaticContact NE2-ND1 3.21Å; H175-H227 PolarHBondContact NE2-ND1 3.33Å; H175-H227 WeakPolarHBondContact O-CB 3.05Å; H227-H229 PolarHBondContact O-CD2 2.84Å; H227-H229 PolarHBondContact O-N 2.72Å; H227-H229 VanDerWaalsContact O-N 3.12Å; H227-I423 WeakPolarHBondContact O-CD1 3.49Å |
| 228 | L | 94.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 16.9 Ų | 16.9 | 6% | 0.058 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -75.8 | 1.1 | -174 | -57.6 | -170.4 | 0 | 0 | 0 | 114.7 | W177 L197 L206 A226 V230 I423 | W177-L228 HydrophobicContact CD2-CD1 3.66Å; W177-L228 HydrophobicContact CD2-CG 4.37Å; W177-L228 HydrophobicContact CE3-CD1 4.03Å; W177-L228 HydrophobicContact CG-CD1 4.01Å; W177-L228 HydrophobicContact CG-CG 4.41Å; W177-L228 HydrophobicContact CH2-CD1 4.16Å; W177-L228 HydrophobicContact CZ2-CB 4.13Å; W177-L228 HydrophobicContact CZ2-CD1 3.83Å; W177-L228 HydrophobicContact CZ2-CG 4.34Å; W177-L228 HydrophobicContact CZ3-CD1 4.28Å; L197-L228 HydrophobicContact CD1-CD1 4.45Å; L206-L228 HydrophobicContact CD1-CD1 3.79Å; L206-L228 HydrophobicContact CD1-CD2 4.24Å; L206-L228 HydrophobicContact CD2-CD1 4.39Å; L206-L228 HydrophobicContact CG-CD1 4.33Å; A226-L228 PolarHBondContact O-N 3.2Å; L228-V230 VanDerWaalsContact C-N 3.3Å; L228-V230 HydrophobicContact CB-CG1 4.05Å; L228-V230 PolarHBondContact O-N 3.47Å; L228-I423 HydrophobicContact CD2-CD1 3.5Å; L228-I423 VanDerWaalsContact CD2-CD1 3.5Å |
| 229 | H | 94.1 | Very high | 96.3 | Very high | 18 Ų | 18 | 20.8 Ų | 20.8 | 8% | 0.083 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 49.1 | 50.6 | 177.9 | -59.4 | 154.5 | 0 | 0 | 0 | 112.7 | H10 K194 H227 D255 I425 | H10-H229 AromaticContact NE2-NE2 3.63Å; K194-H229 WeakPolarHBondContact CE-O 3.4Å; K194-H229 PolarHBondContact NZ-O 2.87Å; H227-H229 PolarHBondContact O-CD2 2.84Å; H227-H229 PolarHBondContact O-N 2.72Å; H227-H229 VanDerWaalsContact O-N 3.12Å; H229-D255 WeakPolarHBondContact CA-OD1 3.5Å; H229-D255 VanDerWaalsContact CB-OD1 3.26Å; H229-D255 WeakPolarHBondContact CB-OD1 3.26Å; H229-I425 HydrophobicContact CB-CD1 3.81Å |
| 230 | V | 94.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -157.9 | 136.2 | 178.4 | 64.2 | 0 | 0 | 0 | 0 | 110 | W177 L190 K193 K194 L228 S253 | W177-V230 HydrophobicContact CH2-CG1 4.11Å; W177-V230 HydrophobicContact CZ2-CG1 3.87Å; L190-V230 HydrophobicContact CD1-CG1 3.7Å; L190-V230 HydrophobicContact CD1-CG2 4.18Å; K193-V230 HydrophobicContact CD-CG2 4.27Å; K194-V230 HydrophobicContact CG-CB 4.35Å; K194-V230 HydrophobicContact CG-CG2 4.46Å; L228-V230 VanDerWaalsContact C-N 3.3Å; L228-V230 HydrophobicContact CB-CG1 4.05Å; L228-V230 PolarHBondContact O-N 3.47Å; V230-S253 PolarHBondContact O-OG 3.02Å |
| 231 | K | 96.3 | Very high | 94.7 | Very high | 58 Ų | 58 | 29.4 Ų | 29.4 | 25% | 0.252 | 16% | 0.16 | S | C | . | . | trans | -73.1 | 128.1 | 168.6 | -179.8 | -178.8 | -179.2 | 172.9 | 0 | 110.8 | L252 S253 L254 E262 | K231-L252 HydrophobicContact CG-CD1 4.3Å; K231-S253 VanDerWaalsContact CA-O 3.28Å; K231-S253 WeakPolarHBondContact CA-O 3.32Å; K231-L254 HydrophobicContact CD-CD2 4.34Å; K231-L254 HydrophobicContact CG-CD2 4.13Å; K231-E262 HydrophobicContact CB-CB 3.95Å; K231-E262 HydrophobicContact CD-CB 3.83Å; K231-E262 HydrophobicContact CD-CG 4.2Å; K231-E262 WeakPolarHBondContact CD-OE1 3.31Å; K231-E262 WeakPolarHBondContact CD-OE2 3.1Å; K231-E262 WeakPolarHBondContact CE-OE1 3.26Å; K231-E262 IonicContact NZ-OE1 3.43Å; K231-E262 PolarHBondContact NZ-OE1 3.47Å | ||
| 232 | F | 97.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 130.5 | 175.9 | -174.5 | -96.3 | 0 | 0 | 0 | 110.1 | W177 L190 A234 F251 L252 S253 | W177-F232 HydrophobicContact CE3-CD1 4.36Å; W177-F232 HydrophobicContact CH2-CB 3.16Å; W177-F232 AromaticContact CH2-CD1 3.72Å; W177-F232 HydrophobicContact CH2-CD1 3.72Å; W177-F232 HydrophobicContact CH2-CD2 4.16Å; W177-F232 AromaticContact CH2-CG 3.43Å; W177-F232 HydrophobicContact CH2-CG 3.43Å; W177-F232 VanDerWaalsContact CH2-CG 3.43Å; W177-F232 HydrophobicContact CZ2-CB 3.75Å; W177-F232 HydrophobicContact CZ2-CG 4.43Å; W177-F232 HydrophobicContact CZ3-CB 3.89Å; W177-F232 AromaticContact CZ3-CD1 3.48Å; W177-F232 HydrophobicContact CZ3-CD1 3.48Å; W177-F232 VanDerWaalsContact CZ3-CD1 3.48Å; W177-F232 HydrophobicContact CZ3-CD2 4.35Å; W177-F232 HydrophobicContact CZ3-CE1 4.04Å; W177-F232 AromaticContact CZ3-CG 3.66Å; W177-F232 HydrophobicContact CZ3-CG 3.66Å; L190-F232 HydrophobicContact CB-CD2 4.05Å; L190-F232 HydrophobicContact CB-CE2 4Å; L190-F232 HydrophobicContact CD1-CD2 4.41Å; L190-F232 HydrophobicContact CD2-CD2 4.24Å; L190-F232 HydrophobicContact CD2-CE2 4.16Å; L190-F232 HydrophobicContact CG-CD2 4.47Å; F232-A234 HydrophobicContact CD1-CB 4.32Å; F232-A234 HydrophobicContact CE1-CB 3.74Å; F232-F251 HydrophobicContact CD1-CD1 4.02Å; F232-F251 AromaticContact CD1-CE1 3.88Å; F232-F251 HydrophobicContact CD1-CE1 3.88Å; F232-L252 CarbonylContact O-C 3.56Å; F232-L252 WeakPolarHBondContact O-CA 3.33Å; F232-S253 VanDerWaalsContact CB-OG 3.32Å; F232-S253 WeakPolarHBondContact CB-OG 3.41Å; F232-S253 PolarHBondContact N-O 2.58Å; F232-S253 PolarHBondContact N-OG 3.01Å; F232-S253 PolarHBondContact O-N 3.32Å |
| 233 | A | 98 | Very high | 92.7 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F251 L453 | A233-F251 WeakPolarHBondContact CA-O 3.46Å; A233-L453 HydrophobicContact CB-CD2 4.28Å |
| 234 | A | 97.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I181 Y184 F232 F251 | I181-A234 HydrophobicContact CD1-CB 4.22Å; I181-A234 HydrophobicContact CG1-CB 4.11Å; Y184-A234 WeakPolarHBondContact O-CA 3.28Å; F232-A234 HydrophobicContact CD1-CB 4.32Å; F232-A234 HydrophobicContact CE1-CB 3.74Å; A234-F251 HydrophobicContact CB-CB 3.88Å; A234-F251 HydrophobicContact CB-CD1 4.02Å; A234-F251 HydrophobicContact CB-CG 4.34Å; A234-F251 PolarHBondContact N-O 3.29Å; A234-F251 PolarHBondContact O-N 3Å |
| 235 | V | 97.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 105.6 | 173.7 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | Y184 V248 L453 P454 P456 | Y184-V235 PolarHBondContact O-N 2.85Å; Y184-V235 VanDerWaalsContact O-N 3.12Å; V235-V248 HydrophobicContact CG1-CG1 3.33Å; V235-L453 HydrophobicContact CG2-CB 3.77Å; V235-L453 HydrophobicContact CG2-CD1 4.22Å; V235-L453 HydrophobicContact CG2-CD2 4.15Å; V235-L453 HydrophobicContact CG2-CG 4.27Å; V235-P454 HydrophobicContact CG2-CG 4.32Å; V235-P454 WeakPolarHBondContact CG2-O 3.36Å; V235-P456 HydrophobicContact CG1-CB 4.15Å; V235-P456 HydrophobicContact CG1-CG 3.99Å |
| 236 | M | 96.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 117.7 | -179.8 | -177.6 | 176.3 | 178.6 | 0 | 0 | 110 | I181 Y184 L215 V248 T249 | I181-M236 HydrophobicContact CD1-CB 4.08Å; I181-M236 HydrophobicContact CD1-SD 4.28Å; Y184-M236 HydrophobicContact CD1-CB 4.05Å; Y184-M236 HydrophobicContact CD1-CG 3.99Å; Y184-M236 HydrophobicContact CD2-CB 4.39Å; Y184-M236 HydrophobicContact CD2-CG 4.25Å; Y184-M236 HydrophobicContact CE1-CB 4.4Å; Y184-M236 HydrophobicContact CE1-CG 3.82Å; Y184-M236 HydrophobicContact CE2-CE 4.34Å; Y184-M236 HydrophobicContact CE2-CG 4.1Å; Y184-M236 HydrophobicContact CE2-SD 4.16Å; Y184-M236 HydrophobicContact CG-CB 4.03Å; Y184-M236 HydrophobicContact CG-CG 4.19Å; L215-M236 HydrophobicContact CD1-SD 4.43Å; L215-M236 HydrophobicContact CD2-SD 3.51Å; L215-M236 VanDerWaalsContact CD2-SD 3.51Å; L215-M236 HydrophobicContact CG-SD 3.84Å; M236-V248 WeakPolarHBondContact O-CA 2.99Å; M236-T249 PolarHBondContact N-O 3.26Å; M236-T249 PolarHBondContact O-N 2.9Å |
| 237 | Q | 95.6 | Very high | 90 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.8 | 167.4 | -63.4 | -172.4 | -9 | 0 | 0 | 109.2 | V248 P456 | Q237-V248 HydrophobicContact CG-CG2 4.24Å; Q237-P456 HydrophobicContact CG-CB 3.98Å |
| 238 | H | 93.3 | Very high | 90 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 2% | 0.023 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 144.2 | 176.6 | -69.6 | -76.5 | 0 | 0 | 0 | 111 | L215 Q219 R247 T249 | L215-H238 PolarHBondContact O-CE1 3.44Å; L215-H238 VanDerWaalsContact O-CE1 3.24Å; Q219-H238 HydrophobicContact CG-CB 4.18Å; Q219-H238 WeakPolarHBondContact CG-ND1 3.46Å; H238-R247 HydrophobicContact CB-CB 4.39Å; H238-R247 WeakPolarHBondContact CB-O 3.41Å; H238-R247 PolarHBondContact N-O 2.91Å; H238-T249 PolarHBondContact NE2-OG1 3.26Å |
| 239 | P | 87.6 | Confident | 90.2 | Very high | 92 Ų | 92 | 53.4 Ų | 53.4 | 60% | 0.597 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 140 | 169.4 | 27 | -33.1 | 0 | 0 | 0 | 109.5 | K241 | P239-K241 PolarHBondContact O-N 3.21Š|
| 240 | P | 81.9 | Confident | 90.4 | Very high | 79 Ų | 79 | 56 Ų | 56 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 132.7 | 178.9 | 25.3 | -32.5 | 0 | 0 | 0 | 110.3 | G242 A244 | P240-G242 PolarHBondContact O-N 3.34Å; P240-A244 WeakPolarHBondContact CB-O 3.19Å |
| 241 | K | 79.3 | Confident | 90.6 | Very high | 111 Ų | 111 | 55.7 Ų | 55.7 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | trans | -86.2 | 101.6 | 172.1 | -72.2 | -175.4 | 179.6 | 177.7 | 0 | 108.8 | H217 P239 N243 A244 | H217-K241 PolarHBondContact O-NZ 3.26Å; P239-K241 PolarHBondContact O-N 3.21Å; K241-N243 PolarHBondContact O-N 2.94Å; K241-A244 WeakPolarHBondContact O-CB 3.11Å; K241-A244 PolarHBondContact O-N 3.49Å | ||
| 242 | G | 78.5 | Confident | 90.7 | Very high | 67 Ų | 67 | 53 Ų | 53 | 69% | 0.691 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | -126.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P240 A244 | P240-G242 PolarHBondContact O-N 3.34Å; G242-A244 VanDerWaalsContact C-N 3.35Å |
| 243 | N | 75.4 | Confident | 90.7 | Very high | 182 Ų | 182 | 52.5 Ų | 52.5 | 97% | 0.973 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 7.8 | 179.9 | -66.2 | -13.3 | 0 | 0 | 0 | 113.8 | K241 | K241-N243 PolarHBondContact O-N 2.94Š|
| 244 | A | 79.7 | Confident | 90.6 | Very high | 56 Ų | 56 | 51.6 Ų | 51.6 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -72.7 | 150 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P240 K241 G242 | P240-A244 WeakPolarHBondContact CB-O 3.19Å; K241-A244 WeakPolarHBondContact O-CB 3.11Å; K241-A244 PolarHBondContact O-N 3.49Å; G242-A244 VanDerWaalsContact C-N 3.35Å |
| 245 | A | 79.3 | Confident | 90.5 | Very high | 81 Ų | 81 | 52 Ų | 52 | 67% | 0.669 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 145.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R247 | A245-R247 PolarHBondContact O-N 3.33Š|
| 246 | P | 84.6 | Confident | 90.2 | Very high | 89 Ų | 89 | 54.5 Ų | 54.5 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 129.6 | 173.9 | -22.9 | 32.6 | 0 | 0 | 0 | 110.8 | ||
| 247 | R | 91.8 | Very high | 89.9 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 29% | 0.291 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -93 | 151.6 | 174.5 | -65.3 | -176.1 | 75.7 | -163.3 | 0.3 | 109.8 | L218 Q219 H238 A245 | L218-R247 PolarHBondContact O-NH1 3.36Å; Q219-R247 HydrophobicContact CB-CB 4.49Å; Q219-R247 PolarHBondContact O-NE 2.69Å; Q219-R247 PolarHBondContact O-NH1 3Å; Q219-R247 PolarHBondContact O-NH2 3.27Å; H238-R247 HydrophobicContact CB-CB 4.39Å; H238-R247 WeakPolarHBondContact CB-O 3.41Å; H238-R247 PolarHBondContact N-O 2.91Å; A245-R247 PolarHBondContact O-N 3.33Å |
| 248 | V | 96.1 | Very high | 89.6 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.6 | 178.1 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | V235 M236 Q237 | V235-V248 HydrophobicContact CG1-CG1 3.33Å; M236-V248 WeakPolarHBondContact O-CA 2.99Å; Q237-V248 HydrophobicContact CG-CG2 4.24Å |
| 249 | T | 97.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.8 | 169.4 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | L215 P220 W223 M236 H238 | L215-T249 HydrophobicContact CD1-CG2 3.73Å; P220-T249 HydrophobicContact CG-CG2 4.33Å; P220-T249 WeakPolarHBondContact O-CA 3.44Å; P220-T249 VanDerWaalsContact O-CB 3.26Å; P220-T249 WeakPolarHBondContact O-CB 3.39Å; P220-T249 WeakPolarHBondContact O-CG2 3.45Å; P220-T249 PolarHBondContact O-OG1 2.99Å; W223-T249 HydrophobicContact CB-CG2 3.71Å; M236-T249 PolarHBondContact N-O 3.26Å; M236-T249 PolarHBondContact O-N 2.9Å; H238-T249 PolarHBondContact NE2-OG1 3.26Å |
| 250 | K | 98.4 | Very high | 89.1 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 32% | 0.317 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 111.1 | 170.9 | -59.8 | 168 | 175.7 | 177.2 | 0 | 108.1 | S221 Y222 W223 L453 | S221-K250 PolarHBondContact O-N 3.17Å; Y222-K250 WeakPolarHBondContact CA-O 3.47Å; Y222-K250 HydrophobicContact CD1-CB 3.92Å; Y222-K250 HydrophobicContact CD1-CD 4.08Å; Y222-K250 HydrophobicContact CE1-CB 4.13Å; Y222-K250 HydrophobicContact CE1-CD 3.46Å; Y222-K250 VanDerWaalsContact CE1-CD 3.46Å; Y222-K250 HydrophobicContact CE1-CG 4.44Å; Y222-K250 PolarHBondContact OH-NZ 3.14Å; W223-K250 PolarHBondContact N-O 3.12Å; K250-L453 HydrophobicContact CB-CD1 4.11Å; K250-L453 HydrophobicContact CB-CD2 4.42Å; K250-L453 HydrophobicContact CD-CD1 3.62Å; K250-L453 HydrophobicContact CG-CD1 3.6Å |
| 251 | F | 98.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 136.6 | 176.9 | 176.6 | -93.5 | 0 | 0 | 0 | 110.3 | W177 P178 I181 W223 F232 A233 A234 | W177-F251 HydrophobicContact CB-CZ 4.28Å; W177-F251 AromaticContact CD2-CE1 3.98Å; W177-F251 HydrophobicContact CD2-CE1 3.98Å; W177-F251 AromaticContact CD2-CZ 3.6Å; W177-F251 HydrophobicContact CD2-CZ 3.6Å; W177-F251 AromaticContact CE2-CZ 3.99Å; W177-F251 HydrophobicContact CE3-CE1 4Å; W177-F251 AromaticContact CE3-CZ 4Å; W177-F251 HydrophobicContact CE3-CZ 4Å; W177-F251 AromaticContact CG-CZ 3.71Å; W177-F251 HydrophobicContact CG-CZ 3.71Å; W177-F251 HydrophobicContact CZ3-CE1 4.31Å; P178-F251 HydrophobicContact CG-CE2 4.41Å; I181-F251 HydrophobicContact CD1-CB 4.02Å; I181-F251 HydrophobicContact CD1-CG 4.24Å; I181-F251 HydrophobicContact CG1-CB 3.8Å; I181-F251 HydrophobicContact CG1-CD1 3.82Å; I181-F251 HydrophobicContact CG1-CD2 3.7Å; I181-F251 HydrophobicContact CG1-CE1 4.33Å; I181-F251 HydrophobicContact CG1-CE2 4.21Å; I181-F251 HydrophobicContact CG1-CG 3.47Å; I181-F251 VanDerWaalsContact CG1-CG 3.47Å; I181-F251 HydrophobicContact CG1-CZ 4.5Å; I181-F251 HydrophobicContact CG2-CD1 4.37Å; I181-F251 HydrophobicContact CG2-CD2 4.49Å; I181-F251 HydrophobicContact CG2-CE1 4.05Å; I181-F251 HydrophobicContact CG2-CE2 4.18Å; I181-F251 HydrophobicContact CG2-CZ 3.94Å; W223-F251 HydrophobicContact CB-CD2 4.07Å; W223-F251 AromaticContact CD1-CD2 3.57Å; W223-F251 AromaticContact CD1-CE2 3.63Å; W223-F251 HydrophobicContact CG-CD2 4.03Å; W223-F251 HydrophobicContact CG-CE2 4.49Å; W223-F251 VanDerWaalsContact O-CA 3.32Å; W223-F251 WeakPolarHBondContact O-CA 3.36Å; F232-F251 HydrophobicContact CD1-CD1 4.02Å; F232-F251 AromaticContact CD1-CE1 3.88Å; F232-F251 HydrophobicContact CD1-CE1 3.88Å; A233-F251 WeakPolarHBondContact CA-O 3.46Å; A234-F251 HydrophobicContact CB-CB 3.88Å; A234-F251 HydrophobicContact CB-CD1 4.02Å; A234-F251 HydrophobicContact CB-CG 4.34Å; A234-F251 PolarHBondContact N-O 3.29Å; A234-F251 PolarHBondContact O-N 3Å |
| 252 | L | 98.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 126.9 | 169.6 | 173.9 | 70.2 | 0 | 0 | 0 | 109.5 | W223 F224 S225 K231 F232 L254 Q265 V267 M451 | W223-L252 PolarHBondContact O-N 2.91Å; F224-L252 WeakPolarHBondContact CA-O 3.48Å; F224-L252 HydrophobicContact CD1-CB 3.92Å; F224-L252 HydrophobicContact CD1-CD2 4.49Å; F224-L252 HydrophobicContact CE1-CB 4.12Å; F224-L252 HydrophobicContact CE1-CD2 4.39Å; S225-L252 PolarHBondContact N-O 3.45Å; K231-L252 HydrophobicContact CG-CD1 4.3Å; F232-L252 CarbonylContact O-C 3.56Å; F232-L252 WeakPolarHBondContact O-CA 3.33Å; L252-L254 HydrophobicContact CD1-CD2 4.15Å; L252-L254 HydrophobicContact CD2-CD1 4.3Å; L252-L254 HydrophobicContact CD2-CD2 4.33Å; L252-L254 HydrophobicContact CD2-CG 4.29Å; L252-L254 HydrophobicContact CG-CD2 4.31Å; L252-L254 HydrophobicContact CG-CG 4.2Å; L252-Q265 HydrophobicContact CD2-CB 4.12Å; L252-Q265 HydrophobicContact CD2-CG 4.31Å; L252-V267 HydrophobicContact CD2-CG1 4.5Å; L252-M451 HydrophobicContact CD2-CE 4.33Å |
| 253 | S | 97.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 154.8 | 161.2 | 73.5 | 0 | 0 | 0 | 0 | 111.2 | W177 S225 V230 K231 F232 | W177-S253 VanDerWaalsContact CZ2-CB 3.41Å; W177-S253 WeakPolarHBondContact CZ2-OG 3.44Å; W177-S253 VanDerWaalsContact NE1-CB 3.26Å; S225-S253 WeakPolarHBondContact O-CA 3.4Å; V230-S253 PolarHBondContact O-OG 3.02Å; K231-S253 VanDerWaalsContact CA-O 3.28Å; K231-S253 WeakPolarHBondContact CA-O 3.32Å; F232-S253 VanDerWaalsContact CB-OG 3.32Å; F232-S253 WeakPolarHBondContact CB-OG 3.41Å; F232-S253 PolarHBondContact N-O 2.58Å; F232-S253 PolarHBondContact N-OG 3.01Å; F232-S253 PolarHBondContact O-N 3.32Å |
| 254 | L | 96.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | trans | -131.4 | 162.3 | 177.8 | -66.5 | 169.9 | 0 | 0 | 0 | 111.5 | V5 S225 K231 L252 E262 Q265 | V5-L254 HydrophobicContact CB-CD1 4.08Å; V5-L254 HydrophobicContact CG1-CD1 4.01Å; V5-L254 WeakPolarHBondContact O-CD1 3.14Å; S225-L254 PolarHBondContact O-N 3.44Å; K231-L254 HydrophobicContact CD-CD2 4.34Å; K231-L254 HydrophobicContact CG-CD2 4.13Å; L252-L254 HydrophobicContact CD1-CD2 4.15Å; L252-L254 HydrophobicContact CD2-CD1 4.3Å; L252-L254 HydrophobicContact CD2-CD2 4.33Å; L252-L254 HydrophobicContact CD2-CG 4.29Å; L252-L254 HydrophobicContact CG-CD2 4.31Å; L252-L254 HydrophobicContact CG-CG 4.2Å; L254-E262 WeakPolarHBondContact CD2-O 3.26Å; L254-Q265 HydrophobicContact CD1-CB 4.04Å; L254-Q265 HydrophobicContact CD2-CB 4.02Å | ||
| 255 | D | 94.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | trans | -80.4 | 177.2 | 179.6 | -150.4 | -27.2 | 0 | 0 | 0 | 111.5 | G7 C8 H229 R261 E262 F263 | G7-D255 WeakPolarHBondContact CA-O 3.11Å; C8-D255 PolarHBondContact N-O 2.72Å; H229-D255 WeakPolarHBondContact CA-OD1 3.5Å; H229-D255 VanDerWaalsContact CB-OD1 3.26Å; H229-D255 WeakPolarHBondContact CB-OD1 3.26Å; D255-R261 HydrophobicContact CB-CB 4Å; D255-R261 WeakPolarHBondContact OD2-CD 3.49Å; D255-R261 IonicContact OD2-NH1 2.96Å; D255-R261 PolarHBondContact OD2-NH1 3.06Å; D255-E262 PolarHBondContact N-O 3Å; D255-F263 WeakPolarHBondContact O-CA 3.46Å; D255-F263 VanDerWaalsContact O-CB 3.32Å; D255-F263 WeakPolarHBondContact O-CB 3.26Å | ||
| 256 | K | 91.9 | Very high | 93.6 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -78 | 153.1 | 171.1 | 54.9 | 172.4 | 165.7 | 171.6 | 0 | 112.2 | C8 L258 F263 | C8-K256 HydrophobicContact CB-CB 3.89Å; C8-K256 WeakPolarHBondContact O-CA 3.21Å; K256-L258 VanDerWaalsContact C-N 3.26Å; K256-L258 HydrophobicContact CD-CD1 3.61Å; K256-L258 HydrophobicContact CD-CG 3.99Å; K256-L258 HydrophobicContact CG-CD1 3.94Å; K256-L258 HydrophobicContact CG-CG 4Å; K256-L258 PolarHBondContact O-N 2.83Å; K256-F263 VanDerWaalsContact C-CB 3.47Å; K256-F263 VanDerWaalsContact O-CB 3.32Å; K256-F263 WeakPolarHBondContact O-CB 3.19Å |
| 257 | C | 90.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -66.2 | 75.4 | -179.8 | -174.9 | 0 | 0 | 0 | 0 | 113.5 | C8 E12 I16 F263 | C8-C257 PolarHBondContact O-N 3.38Å; C8-C257 VanDerWaalsContact O-N 3.14Å; E12-C257 HydrophobicContact CB-CB 4.12Å; I16-C257 HydrophobicContact CD1-CB 4.44Å; I16-C257 HydrophobicContact CG1-CB 4.31Å; C257-F263 HydrophobicContact CB-CD2 3.91Å; C257-F263 HydrophobicContact CB-CE2 4.28Å; C257-F263 HydrophobicContact CB-CG 4.14Å |
| 258 | L | 88.6 | Confident | 94.3 | Very high | 66 Ų | 66 | 45.5 Ų | 45.5 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | trans | -127.5 | 158.6 | 176.5 | -70 | -175.7 | 0 | 0 | 0 | 111.8 | K256 Y260 R261 | K256-L258 VanDerWaalsContact C-N 3.26Å; K256-L258 HydrophobicContact CD-CD1 3.61Å; K256-L258 HydrophobicContact CD-CG 3.99Å; K256-L258 HydrophobicContact CG-CD1 3.94Å; K256-L258 HydrophobicContact CG-CG 4Å; K256-L258 PolarHBondContact O-N 2.83Å; L258-Y260 PolarHBondContact O-N 2.95Å; L258-R261 HydrophobicContact CB-CG 3.79Å; L258-R261 WeakPolarHBondContact O-CB 3.35Å; L258-R261 PolarHBondContact O-N 3.25Å | ||
| 259 | P | 84.8 | Confident | 94.1 | Very high | 97 Ų | 97 | 43 Ų | 43 | 63% | 0.63 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 138.4 | 175.6 | -26.6 | 35.5 | 0 | 0 | 0 | 112.5 | R261 | P259-R261 PolarHBondContact O-N 3.03Å; P259-R261 VanDerWaalsContact O-N 3.12Å |
| 260 | Y | 86 | Confident | 93.5 | Very high | 239 Ų | 239 | 47.8 Ų | 47.8 | 94% | 0.937 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 13 | 177.9 | -44.7 | -72.2 | 0 | 0 | 0 | 115.5 | L258 | L258-Y260 PolarHBondContact O-N 2.95Š|
| 261 | R | 90.3 | Very high | 92.5 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 18% | 0.177 | 24% | 0.243 | C | C | . | . | trans | -98.7 | 151.7 | 176.1 | -58.2 | -53.1 | -172.7 | 130.2 | -5.4 | 111.8 | D255 L258 P259 F263 W429 | D255-R261 HydrophobicContact CB-CB 4Å; D255-R261 WeakPolarHBondContact OD2-CD 3.49Å; D255-R261 IonicContact OD2-NH1 2.96Å; D255-R261 PolarHBondContact OD2-NH1 3.06Å; L258-R261 HydrophobicContact CB-CG 3.79Å; L258-R261 WeakPolarHBondContact O-CB 3.35Å; L258-R261 PolarHBondContact O-N 3.25Å; P259-R261 PolarHBondContact O-N 3.03Å; P259-R261 VanDerWaalsContact O-N 3.12Å; R261-F263 VanDerWaalsContact C-N 3.34Å; R261-F263 WeakPolarHBondContact O-CD1 3.4Å; R261-F263 PolarHBondContact O-N 3.47Å; R261-F263 VanDerWaalsContact O-N 3.17Å; R261-W429 VanDerWaalsContact NH2-NE1 3.15Å | ||
| 262 | E | 92.2 | Very high | 91.6 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | trans | -89 | 71.3 | 176.3 | -61.4 | -176.1 | 92.3 | 0 | 0 | 110.5 | K231 L254 D255 | K231-E262 HydrophobicContact CB-CB 3.95Å; K231-E262 HydrophobicContact CD-CB 3.83Å; K231-E262 HydrophobicContact CD-CG 4.2Å; K231-E262 WeakPolarHBondContact CD-OE1 3.31Å; K231-E262 WeakPolarHBondContact CD-OE2 3.1Å; K231-E262 WeakPolarHBondContact CE-OE1 3.26Å; K231-E262 IonicContact NZ-OE1 3.43Å; K231-E262 PolarHBondContact NZ-OE1 3.47Å; L254-E262 WeakPolarHBondContact CD2-O 3.26Å; D255-E262 PolarHBondContact N-O 3Å | ||
| 263 | F | 95.2 | Very high | 89.5 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | trans | -93.7 | -17 | -173.2 | 69.7 | -94.1 | 0 | 0 | 0 | 114.8 | E6 G7 I16 T19 D255 K256 C257 R261 | E6-F263 WeakPolarHBondContact CA-O 3.37Å; G7-F263 PolarHBondContact N-O 3.12Å; I16-F263 HydrophobicContact CG1-CE2 4.21Å; T19-F263 HydrophobicContact CG2-CZ 4.14Å; D255-F263 WeakPolarHBondContact O-CA 3.46Å; D255-F263 VanDerWaalsContact O-CB 3.32Å; D255-F263 WeakPolarHBondContact O-CB 3.26Å; K256-F263 VanDerWaalsContact C-CB 3.47Å; K256-F263 VanDerWaalsContact O-CB 3.32Å; K256-F263 WeakPolarHBondContact O-CB 3.19Å; C257-F263 HydrophobicContact CB-CD2 3.91Å; C257-F263 HydrophobicContact CB-CE2 4.28Å; C257-F263 HydrophobicContact CB-CG 4.14Å; R261-F263 VanDerWaalsContact C-N 3.34Å; R261-F263 WeakPolarHBondContact O-CD1 3.4Å; R261-F263 PolarHBondContact O-N 3.47Å; R261-F263 VanDerWaalsContact O-N 3.17Å | ||
| 264 | L | 96.8 | Very high | 87.7 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 137.9 | -175.7 | -169.6 | 80.8 | 0 | 0 | 0 | 110.3 | A4 V5 E6 I16 T19 I20 L23 L34 | A4-L264 HydrophobicContact CB-CD1 4.21Å; V5-L264 CarbonylContact O-C 3.51Å; V5-L264 WeakPolarHBondContact O-CA 2.98Å; E6-L264 HydrophobicContact CB-CD1 3.94Å; E6-L264 HydrophobicContact CG-CD1 4.29Å; I16-L264 HydrophobicContact CG2-CD1 4.3Å; T19-L264 HydrophobicContact CG2-CD2 3.72Å; I20-L264 HydrophobicContact CD1-CD1 4.5Å; I20-L264 HydrophobicContact CG1-CD1 4.37Å; I20-L264 HydrophobicContact CG1-CD2 3.78Å; L23-L264 HydrophobicContact CD1-CD2 3.86Å; L34-L264 HydrophobicContact CD1-CD1 4.17Å |
| 265 | Q | 96.6 | Very high | 86.4 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 7% | 0.065 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 133.1 | 172.6 | -171.9 | 172 | -41.1 | 0 | 0 | 111.9 | V5 L252 L254 V267 M451 | V5-Q265 PolarHBondContact N-O 2.59Å; V5-Q265 PolarHBondContact O-N 3.13Å; L252-Q265 HydrophobicContact CD2-CB 4.12Å; L252-Q265 HydrophobicContact CD2-CG 4.31Å; L254-Q265 HydrophobicContact CD1-CB 4.04Å; L254-Q265 HydrophobicContact CD2-CB 4.02Å; Q265-V267 HydrophobicContact CG-CG1 4.49Å; Q265-M451 VanDerWaalsContact NE2-CG 3.32Å |
| 266 | I | 97.1 | Very high | 85.7 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 16% | 0.164 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.7 | 174.6 | -59.4 | 175.2 | 0 | 0 | 0 | 109.5 | K2 I3 A4 L23 I29 V31 | K2-I266 HydrophobicContact CB-CG2 4.2Å; I3-I266 CarbonylContact O-C 3.59Å; I3-I266 WeakPolarHBondContact O-CA 3.34Å; A4-I266 HydrophobicContact CB-CG1 4.4Å; L23-I266 HydrophobicContact CB-CD1 3.92Å; L23-I266 HydrophobicContact CD1-CD1 3.86Å; L23-I266 HydrophobicContact CD1-CG1 4.37Å; I29-I266 HydrophobicContact CD1-CD1 3.62Å; I29-I266 HydrophobicContact CD1-CG2 4.18Å; V31-I266 HydrophobicContact CG2-CD1 3.82Å; V31-I266 HydrophobicContact CG2-CG1 4.37Å |
| 267 | V | 96.1 | Very high | 85.3 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.024 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.6 | -178.7 | -49.9 | 0 | 0 | 0 | 0 | 109.8 | I3 V5 F224 L252 Q265 I269 M451 | I3-V267 HydrophobicContact CB-CG2 3.87Å; I3-V267 PolarHBondContact N-O 3.37Å; I3-V267 WeakPolarHBondContact O-CG2 3.48Å; I3-V267 PolarHBondContact O-N 2.67Å; V5-V267 HydrophobicContact CG2-CG1 4.03Å; V5-V267 HydrophobicContact CG2-CG2 3.92Å; F224-V267 HydrophobicContact CZ-CG2 4.1Å; L252-V267 HydrophobicContact CD2-CG1 4.5Å; Q265-V267 HydrophobicContact CG-CG1 4.49Å; V267-I269 HydrophobicContact CG2-CD1 4.09Å; V267-I269 HydrophobicContact CG2-CG1 4.09Å; V267-M451 HydrophobicContact CB-CE 3.72Å; V267-M451 HydrophobicContact CG1-CE 3.1Å |
| 268 | D | 94.9 | Very high | 85.4 | Confident | 93 Ų | 93 | 74.3 Ų | 74.3 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.8 | 175.8 | -160 | -25.2 | 0 | 0 | 0 | 109.4 | K2 | K2-D268 HydrophobicContact CD-CB 4.45Å; K2-D268 IonicContact NZ-OD2 3.58Å; K2-D268 PolarHBondContact NZ-OD2 3.08Å |
| 269 | I | 92.3 | Very high | 85.8 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.036 | 38% | 0.384 | C | S | . | . | trans | -124.2 | 126.4 | 177.9 | -60.2 | -168.2 | 0 | 0 | 0 | 108 | M1 I3 V119 I171 Y222 V267 D271 | M1-I269 WeakPolarHBondContact CB-O 3.11Å; M1-I269 PolarHBondContact N-O 3.24Å; M1-I269 PolarHBondContact O-N 3.37Å; M1-I269 VanDerWaalsContact O-O 3.07Å; I3-I269 HydrophobicContact CD1-CB 4.24Å; I3-I269 HydrophobicContact CD1-CD1 3.74Å; I3-I269 HydrophobicContact CD1-CG1 4.21Å; V119-I269 HydrophobicContact CG2-CG2 4.29Å; I171-I269 HydrophobicContact CD1-CD1 3.5Å; I171-I269 HydrophobicContact CG1-CD1 3.86Å; Y222-I269 HydrophobicContact CD2-CD1 3.75Å; Y222-I269 HydrophobicContact CD2-CG1 4.4Å; Y222-I269 HydrophobicContact CE2-CD1 3.83Å; Y222-I269 HydrophobicContact CE2-CG1 3.96Å; Y222-I269 HydrophobicContact CG-CD1 4.14Å; V267-I269 HydrophobicContact CG2-CD1 4.09Å; V267-I269 HydrophobicContact CG2-CG1 4.09Å; I269-D271 PolarHBondContact O-N 3.19Å | ||
| 270 | P | 86.1 | Confident | 86.4 | Confident | 103 Ų | 103 | 69 Ų | 69 | 67% | 0.669 | 36% | 0.363 | S | S | * | . | trans | -55.8 | 125.4 | 176.9 | -23.1 | 32.7 | 0 | 0 | 0 | 110.3 | ||||
| 271 | D | 77.6 | Confident | 87 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | trans | -73.7 | 162.6 | 166.5 | 43 | 56.9 | 0 | 0 | 0 | 110 | M1 I269 | M1-D271 HydrophobicContact CB-CB 4.31Å; M1-D271 PolarHBondContact N-OD2 3.45Å; I269-D271 PolarHBondContact O-N 3.19Å | ||
| 272 | R | 79.1 | Confident | 87.3 | Confident | 128 Ų | 128 | 56.5 Ų | 56.5 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | trans | -107.1 | 100.8 | 171.2 | -58.5 | -173.9 | -171.8 | 169.8 | 5 | 107.6 | K117 G118 D170 S274 S275 | K117-R272 PolarHBondContact O-N 3.08Å; G118-R272 WeakPolarHBondContact O-CD 3.49Å; G118-R272 PolarHBondContact O-NE 3.22Å; G118-R272 PolarHBondContact O-NH1 3.4Å; D170-R272 VanDerWaalsContact CG-NH2 3.35Å; D170-R272 IonicContact OD1-CZ 3.38Å; D170-R272 IonicContact OD1-NH2 3.85Å; D170-R272 PolarHBondContact OD1-NH2 3.1Å; D170-R272 IonicContact OD2-CZ 2.72Å; D170-R272 IonicContact OD2-NH2 3.95Å; D170-R272 PolarHBondContact OD2-NH2 2.73Å; D170-R272 VanDerWaalsContact OD2-NH2 3.11Å; R272-S274 PolarHBondContact O-N 3.18Å; R272-S275 PolarHBondContact O-N 3.09Å; R272-S275 PolarHBondContact O-OG 3.28Å; R272-S275 VanDerWaalsContact O-OG 3.13Å | ||
| 273 | S | 54.4 | Low | 87.6 | Confident | 107 Ų | 107 | 52.8 Ų | 52.8 | 75% | 0.748 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 130.2 | -178.6 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 274 | S | 61 | Low | 87.8 | Confident | 133 Ų | 133 | 51.6 Ų | 51.6 | 93% | 0.93 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | 9.3 | -175.5 | 90.7 | 0 | 0 | 0 | 0 | 117.6 | R272 | R272-S274 PolarHBondContact O-N 3.18Š|
| 275 | S | 69.5 | Low | 87.9 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | trans | -82.6 | 155.2 | 175.2 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | K117 G118 R272 | K117-S275 WeakPolarHBondContact CA-OG 3.4Å; K117-S275 PolarHBondContact O-OG 3.35Å; G118-S275 VanDerWaalsContact N-CB 3.3Å; R272-S275 PolarHBondContact O-N 3.09Å; R272-S275 PolarHBondContact O-OG 3.28Å; R272-S275 VanDerWaalsContact O-OG 3.13Å | ||
| 276 | S | 78.4 | Confident | 87.9 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | trans | -58 | 146.4 | 170.4 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | S278 E280 | S276-S278 VanDerWaalsContact C-N 3.26Å; S276-S278 PolarHBondContact OG-N 2.86Å; S276-S278 VanDerWaalsContact OG-N 3.11Å; S276-S278 PolarHBondContact OG-OG 3.44Å; S276-E280 WeakPolarHBondContact CB-OE1 3.22Å | ||
| 277 | E | 84.3 | Confident | 88 | Confident | 129 Ų | 129 | 48.8 Ų | 48.8 | 60% | 0.603 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -82.4 | -5.1 | 170.4 | -65.9 | -71.1 | 125.7 | 0 | 0 | 112.1 | Y116 K117 | Y116-E277 WeakPolarHBondContact CE2-O 3.44Å; K117-E277 VanDerWaalsContact CE-CD 3.42Å; K117-E277 WeakPolarHBondContact CE-OE1 3.48Å; K117-E277 WeakPolarHBondContact CE-OE2 3.33Å; K117-E277 IonicContact NZ-OE1 2.77Å; K117-E277 PolarHBondContact NZ-OE1 3.28Å; K117-E277 IonicContact NZ-OE2 2.77Å; K117-E277 PolarHBondContact NZ-OE2 3.03Å |
| 278 | S | 92.3 | Very high | 88.1 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -89 | 156.6 | 175.7 | 66.9 | 0 | 0 | 0 | 0 | 112 | S276 | S276-S278 VanDerWaalsContact C-N 3.26Å; S276-S278 PolarHBondContact OG-N 2.86Å; S276-S278 VanDerWaalsContact OG-N 3.11Å; S276-S278 PolarHBondContact OG-OG 3.44Å |
| 279 | L | 96.8 | Very high | 88.3 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | trans | -69.6 | 136.2 | 164.3 | -168.9 | 63.1 | 0 | 0 | 0 | 109.3 | L78 I80 W100 Y106 V114 I337 | L78-L279 HydrophobicContact CD2-CB 4.34Å; I80-L279 HydrophobicContact CD1-CD1 3.68Å; I80-L279 HydrophobicContact CD1-CD2 4.45Å; I80-L279 HydrophobicContact CG1-CD2 4.48Å; W100-L279 HydrophobicContact CH2-CB 4.34Å; W100-L279 HydrophobicContact CH2-CD2 3.88Å; W100-L279 HydrophobicContact CZ2-CD2 4.26Å; Y106-L279 HydrophobicContact CD1-CD2 3.84Å; Y106-L279 HydrophobicContact CD2-CD2 3.87Å; Y106-L279 HydrophobicContact CE1-CD2 4.35Å; Y106-L279 HydrophobicContact CE2-CD2 4.39Å; Y106-L279 HydrophobicContact CG-CD2 3.58Å; V114-L279 HydrophobicContact CB-CD1 4.04Å; V114-L279 HydrophobicContact CG2-CD1 3.85Å; L279-I337 HydrophobicContact CB-CD1 4.48Å; L279-I337 HydrophobicContact CD2-CD1 3.81Å; L279-I337 HydrophobicContact CG-CD1 3.73Å; L279-I337 HydrophobicContact CG-CG1 4.3Å; L279-I337 PolarHBondContact O-N 2.87Å | ||
| 280 | E | 97.3 | Very high | 88.6 | Confident | 43 Ų | 43 | 47.1 Ų | 47.1 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146.3 | -176.4 | -65.4 | 178.2 | 160.1 | 0 | 0 | 111.8 | V114 R115 S276 L335 | V114-E280 WeakPolarHBondContact CA-O 3.32Å; R115-E280 HydrophobicContact CB-CB 4.09Å; R115-E280 IonicContact CZ-OE2 2.87Å; R115-E280 PolarHBondContact N-O 3.06Å; R115-E280 IonicContact NE-OE2 3.98Å; R115-E280 IonicContact NH2-OE2 3.71Å; R115-E280 PolarHBondContact NH2-OE2 2.81Å; R115-E280 PolarHBondContact O-N 2.86Å; S276-E280 WeakPolarHBondContact CB-OE1 3.22Å; E280-L335 CarbonylContact C-O 3.44Å; E280-L335 WeakPolarHBondContact CA-O 3.4Å; E280-L335 HydrophobicContact CB-CB 4.49Å; E280-L335 WeakPolarHBondContact CB-O 3.44Å |
| 281 | Y | 98 | Very high | 89.1 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 9% | 0.09 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 147.4 | 165.1 | -64 | -54.8 | 0 | 0 | 0 | 110.7 | R115 P283 F286 L331 L335 I337 | R115-Y281 PolarHBondContact NE-O 3.37Å; R115-Y281 VanDerWaalsContact NE-O 3.11Å; R115-Y281 PolarHBondContact NH2-O 3.22Å; Y281-P283 WeakPolarHBondContact O-CD 3.31Å; Y281-F286 HydrophobicContact CD1-CE1 4.14Å; Y281-F286 AromaticContact CD1-CE2 3.42Å; Y281-F286 HydrophobicContact CD1-CE2 3.42Å; Y281-F286 VanDerWaalsContact CD1-CE2 3.42Å; Y281-F286 AromaticContact CD1-CZ 3.17Å; Y281-F286 HydrophobicContact CD1-CZ 3.17Å; Y281-F286 AromaticContact CD2-CE2 3.83Å; Y281-F286 HydrophobicContact CD2-CE2 3.83Å; Y281-F286 HydrophobicContact CD2-CZ 4.4Å; Y281-F286 AromaticContact CE1-CE2 3.92Å; Y281-F286 HydrophobicContact CE1-CE2 3.92Å; Y281-F286 AromaticContact CE1-CZ 3.51Å; Y281-F286 HydrophobicContact CE1-CZ 3.51Å; Y281-F286 HydrophobicContact CE2-CE2 4.27Å; Y281-F286 HydrophobicContact CG-CD2 4.26Å; Y281-F286 AromaticContact CG-CE2 3.36Å; Y281-F286 HydrophobicContact CG-CE2 3.36Å; Y281-F286 AromaticContact CG-CZ 3.68Å; Y281-F286 HydrophobicContact CG-CZ 3.68Å; Y281-L331 HydrophobicContact CD2-CD1 4.13Å; Y281-L335 PolarHBondContact N-O 3.39Å; Y281-I337 HydrophobicContact CD1-CD1 3.64Å; Y281-I337 HydrophobicContact CD1-CG1 3.65Å; Y281-I337 HydrophobicContact CD2-CG1 4.1Å; Y281-I337 HydrophobicContact CE1-CB 4.37Å; Y281-I337 HydrophobicContact CE1-CD1 3.61Å; Y281-I337 HydrophobicContact CE1-CG1 3.64Å; Y281-I337 HydrophobicContact CE1-CG2 4.11Å; Y281-I337 HydrophobicContact CE2-CB 4.41Å; Y281-I337 HydrophobicContact CE2-CG1 4.09Å; Y281-I337 HydrophobicContact CE2-CG2 4.48Å; Y281-I337 HydrophobicContact CG-CD1 4.35Å; Y281-I337 HydrophobicContact CG-CG1 3.9Å |
| 282 | D | 98.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -94 | 115.2 | 172.2 | -172.2 | -93.2 | 0 | 0 | 0 | 109.9 | V113 R115 R120 E284 W285 F286 | V113-D282 HydrophobicContact CB-CB 4.1Å; V113-D282 HydrophobicContact CG1-CB 4.03Å; V113-D282 VanDerWaalsContact O-CB 3.29Å; V113-D282 WeakPolarHBondContact O-CB 3.43Å; R115-D282 HydrophobicContact CG-CB 4.43Å; R120-D282 IonicContact CZ-OD1 3.11Å; R120-D282 IonicContact CZ-OD2 3.57Å; R120-D282 IonicContact NE-OD1 3.62Å; R120-D282 IonicContact NE-OD2 3.82Å; R120-D282 PolarHBondContact NE-OD2 3.09Å; R120-D282 VanDerWaalsContact NH2-CG 3.32Å; R120-D282 IonicContact NH2-OD1 2.7Å; R120-D282 PolarHBondContact NH2-OD1 2.78Å; R120-D282 IonicContact NH2-OD2 2.73Å; R120-D282 PolarHBondContact NH2-OD2 3.42Å; R120-D282 VanDerWaalsContact NH2-OD2 3.13Å; D282-E284 VanDerWaalsContact C-N 3.29Å; D282-E284 PolarHBondContact O-N 3.15Å; D282-E284 WeakPolarHBondContact OD1-CB 3.41Å; D282-E284 PolarHBondContact OD1-N 2.74Å; D282-W285 HydrophobicContact CB-CB 3.99Å; D282-W285 PolarHBondContact O-N 2.74Å; D282-W285 PolarHBondContact OD1-N 3.43Å; D282-F286 PolarHBondContact O-N 3.21Å; D282-F286 VanDerWaalsContact O-N 3.16Å | ||
| 283 | P | 97.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 10% | 0.104 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -35.4 | -176.9 | -26.3 | 35.2 | 0 | 0 | 0 | 113.7 | Y281 F286 A287 M324 V328 L335 | Y281-P283 WeakPolarHBondContact O-CD 3.31Å; P283-F286 PolarHBondContact O-N 3.26Å; P283-A287 VanDerWaalsContact O-CB 3.3Å; P283-A287 WeakPolarHBondContact O-CB 3.37Å; P283-A287 PolarHBondContact O-N 2.75Å; P283-M324 HydrophobicContact CB-CB 4.12Å; P283-M324 HydrophobicContact CB-CG 4.36Å; P283-V328 HydrophobicContact CB-CG2 4.29Å; P283-V328 HydrophobicContact CG-CG2 4.17Å; P283-L335 HydrophobicContact CG-CD1 3.8Å; P283-L335 HydrophobicContact CG-CD2 3.97Å |
| 284 | E | 98.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 178.7 | -170.8 | -174.7 | -151.5 | 0 | 0 | 110.6 | R120 I165 Q166 M167 D282 F286 A287 V288 A319 M324 | R120-E284 IonicContact CZ-OE2 3.36Å; R120-E284 IonicContact NH1-OE2 2.69Å; R120-E284 IonicContact NH2-OE2 3.43Å; R120-E284 PolarHBondContact NH2-OE2 2.86Å; I165-E284 HydrophobicContact CD1-CB 4.37Å; I165-E284 HydrophobicContact CD1-CG 3.9Å; I165-E284 WeakPolarHBondContact CG2-OE2 3.47Å; Q166-E284 WeakPolarHBondContact CA-OE1 3.08Å; Q166-E284 WeakPolarHBondContact CB-OE1 3.44Å; Q166-E284 PolarHBondContact N-OE1 2.93Å; M167-E284 VanDerWaalsContact CB-OE2 3.27Å; M167-E284 WeakPolarHBondContact CB-OE2 3.37Å; M167-E284 PolarHBondContact N-OE1 3.25Å; M167-E284 PolarHBondContact N-OE2 2.8Å; M167-E284 HydrophobicContact SD-CB 4.32Å; D282-E284 VanDerWaalsContact C-N 3.29Å; D282-E284 PolarHBondContact O-N 3.15Å; D282-E284 WeakPolarHBondContact OD1-CB 3.41Å; D282-E284 PolarHBondContact OD1-N 2.74Å; E284-F286 PolarHBondContact O-N 3.39Å; E284-A287 PolarHBondContact O-N 3.45Å; E284-V288 WeakPolarHBondContact O-CG2 3.3Å; E284-V288 PolarHBondContact O-N 3.41Å; E284-A319 HydrophobicContact CG-CB 4.11Å; E284-M324 HydrophobicContact CB-CG 4.4Å; E284-M324 HydrophobicContact CB-SD 3.74Å; E284-M324 HydrophobicContact CG-SD 4.19Å |
| 285 | W | 98.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 176.4 | 175.7 | -120.2 | 0 | 0 | 0 | 112.5 | A111 V113 K161 L162 I165 D282 A287 V288 L289 | A111-W285 HydrophobicContact CB-CH2 4.12Å; A111-W285 HydrophobicContact CB-CZ2 4.37Å; A111-W285 WeakPolarHBondContact O-CZ2 3.49Å; V113-W285 HydrophobicContact CB-CB 3.86Å; V113-W285 HydrophobicContact CB-CG 4.07Å; V113-W285 HydrophobicContact CG2-CB 4.19Å; V113-W285 HydrophobicContact CG2-CD2 4.19Å; V113-W285 HydrophobicContact CG2-CE3 4.15Å; V113-W285 HydrophobicContact CG2-CG 4.21Å; K161-W285 HydrophobicContact CB-CH2 3.79Å; K161-W285 HydrophobicContact CB-CZ3 3.74Å; K161-W285 HydrophobicContact CD-CH2 4.25Å; L162-W285 HydrophobicContact CD2-CE3 4.39Å; L162-W285 HydrophobicContact CD2-CH2 4.2Å; L162-W285 HydrophobicContact CD2-CZ3 3.79Å; L162-W285 HydrophobicContact CG-CH2 4.33Å; L162-W285 HydrophobicContact CG-CZ3 4.09Å; I165-W285 HydrophobicContact CD1-CB 4.45Å; I165-W285 HydrophobicContact CD1-CE3 4.26Å; D282-W285 HydrophobicContact CB-CB 3.99Å; D282-W285 PolarHBondContact O-N 2.74Å; D282-W285 PolarHBondContact OD1-N 3.43Å; W285-A287 PolarHBondContact O-N 3.23Å; W285-V288 WeakPolarHBondContact O-CB 3.35Å; W285-V288 PolarHBondContact O-N 2.77Å; W285-L289 HydrophobicContact CD2-CG 4.32Å; W285-L289 HydrophobicContact CH2-CD2 4.05Å; W285-L289 HydrophobicContact CZ2-CD1 4.36Å; W285-L289 HydrophobicContact CZ2-CD2 3.61Å; W285-L289 HydrophobicContact CZ2-CG 4.09Å; W285-L289 WeakPolarHBondContact O-CG 3.2Å; W285-L289 PolarHBondContact O-N 2.76Å |
| 286 | F | 98.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.013 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.1 | -33.6 | 178.6 | -80.7 | 7.1 | 0 | 0 | 0 | 112.8 | Y281 D282 P283 E284 V288 L289 K290 V327 L331 L370 L374 | Y281-F286 HydrophobicContact CD1-CE1 4.14Å; Y281-F286 AromaticContact CD1-CE2 3.42Å; Y281-F286 HydrophobicContact CD1-CE2 3.42Å; Y281-F286 VanDerWaalsContact CD1-CE2 3.42Å; Y281-F286 AromaticContact CD1-CZ 3.17Å; Y281-F286 HydrophobicContact CD1-CZ 3.17Å; Y281-F286 AromaticContact CD2-CE2 3.83Å; Y281-F286 HydrophobicContact CD2-CE2 3.83Å; Y281-F286 HydrophobicContact CD2-CZ 4.4Å; Y281-F286 AromaticContact CE1-CE2 3.92Å; Y281-F286 HydrophobicContact CE1-CE2 3.92Å; Y281-F286 AromaticContact CE1-CZ 3.51Å; Y281-F286 HydrophobicContact CE1-CZ 3.51Å; Y281-F286 HydrophobicContact CE2-CE2 4.27Å; Y281-F286 HydrophobicContact CG-CD2 4.26Å; Y281-F286 AromaticContact CG-CE2 3.36Å; Y281-F286 HydrophobicContact CG-CE2 3.36Å; Y281-F286 AromaticContact CG-CZ 3.68Å; Y281-F286 HydrophobicContact CG-CZ 3.68Å; D282-F286 PolarHBondContact O-N 3.21Å; D282-F286 VanDerWaalsContact O-N 3.16Å; P283-F286 PolarHBondContact O-N 3.26Å; E284-F286 PolarHBondContact O-N 3.39Å; F286-V288 VanDerWaalsContact C-N 3.33Å; F286-V288 PolarHBondContact O-N 3.32Å; F286-L289 HydrophobicContact CD1-CD1 3.75Å; F286-L289 HydrophobicContact CE1-CD1 4.04Å; F286-L289 PolarHBondContact O-N 3.14Å; F286-K290 WeakPolarHBondContact O-CG 3.25Å; F286-K290 PolarHBondContact O-N 3.3Å; F286-V327 HydrophobicContact CB-CG1 3.65Å; F286-V327 HydrophobicContact CB-CG2 4.2Å; F286-V327 HydrophobicContact CD2-CG1 4.24Å; F286-V327 HydrophobicContact CG-CG1 4.48Å; F286-L331 HydrophobicContact CD2-CD1 4.14Å; F286-L331 HydrophobicContact CE2-CD1 4.38Å; F286-L370 HydrophobicContact CE2-CD1 3.83Å; F286-L370 HydrophobicContact CZ-CD1 3.98Å; F286-L370 HydrophobicContact CZ-CD2 4.09Å; F286-L374 HydrophobicContact CB-CD1 4.41Å; F286-L374 HydrophobicContact CD2-CD1 3.42Å; F286-L374 VanDerWaalsContact CD2-CD1 3.42Å; F286-L374 HydrophobicContact CE2-CD1 3.66Å; F286-L374 HydrophobicContact CG-CD1 3.94Å; F286-L374 HydrophobicContact CZ-CD1 4.36Å |
| 287 | A | 98.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | P283 E284 W285 K290 A291 A319 D323 M324 V327 | P283-A287 VanDerWaalsContact O-CB 3.3Å; P283-A287 WeakPolarHBondContact O-CB 3.37Å; P283-A287 PolarHBondContact O-N 2.75Å; E284-A287 PolarHBondContact O-N 3.45Å; W285-A287 PolarHBondContact O-N 3.23Å; A287-K290 PolarHBondContact O-N 3.16Å; A287-A291 WeakPolarHBondContact O-CB 3.32Å; A287-A291 PolarHBondContact O-N 2.82Å; A287-A319 HydrophobicContact CB-CB 3.48Å; A287-A319 VanDerWaalsContact CB-CB 3.48Å; A287-D323 HydrophobicContact CB-CB 3.9Å; A287-M324 HydrophobicContact CB-CG 4.3Å; A287-V327 HydrophobicContact CB-CG2 3.99Å |
| 288 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 172.9 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | K161 Q164 I165 E284 W285 F286 K290 A291 T292 A319 | K161-V288 HydrophobicContact CB-CG1 4.03Å; K161-V288 HydrophobicContact CG-CG1 4.47Å; K161-V288 WeakPolarHBondContact O-CG1 3.23Å; Q164-V288 HydrophobicContact CB-CB 4.47Å; Q164-V288 HydrophobicContact CB-CG1 3.83Å; Q164-V288 HydrophobicContact CB-CG2 3.73Å; Q164-V288 HydrophobicContact CG-CG1 4.08Å; I165-V288 HydrophobicContact CD1-CG2 4.42Å; E284-V288 WeakPolarHBondContact O-CG2 3.3Å; E284-V288 PolarHBondContact O-N 3.41Å; W285-V288 WeakPolarHBondContact O-CB 3.35Å; W285-V288 PolarHBondContact O-N 2.77Å; F286-V288 VanDerWaalsContact C-N 3.33Å; F286-V288 PolarHBondContact O-N 3.32Å; V288-K290 VanDerWaalsContact C-N 3.33Å; V288-K290 PolarHBondContact O-N 3.27Å; V288-A291 PolarHBondContact O-N 2.84Å; V288-T292 HydrophobicContact CG1-CG2 4.31Å; V288-T292 WeakPolarHBondContact O-CB 3.36Å; V288-T292 WeakPolarHBondContact O-CG2 3.14Å; V288-T292 PolarHBondContact O-N 3.43Å; V288-T292 PolarHBondContact O-OG1 2.85Å; V288-A319 HydrophobicContact CG2-CB 4.4Å |
| 289 | L | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 176.3 | -71.5 | -175.5 | 0 | 0 | 0 | 111.7 | Y97 K161 W285 F286 T292 N293 L376 | Y97-L289 HydrophobicContact CD1-CD1 3.66Å; Y97-L289 HydrophobicContact CD1-CD2 4.28Å; Y97-L289 HydrophobicContact CE1-CD1 4.16Å; Y97-L289 HydrophobicContact CE1-CD2 4.21Å; Y97-L289 HydrophobicContact CG-CD1 4.5Å; K161-L289 HydrophobicContact CD-CD2 3.95Å; W285-L289 HydrophobicContact CD2-CG 4.32Å; W285-L289 HydrophobicContact CH2-CD2 4.05Å; W285-L289 HydrophobicContact CZ2-CD1 4.36Å; W285-L289 HydrophobicContact CZ2-CD2 3.61Å; W285-L289 HydrophobicContact CZ2-CG 4.09Å; W285-L289 WeakPolarHBondContact O-CG 3.2Å; W285-L289 PolarHBondContact O-N 2.76Å; F286-L289 HydrophobicContact CD1-CD1 3.75Å; F286-L289 HydrophobicContact CE1-CD1 4.04Å; F286-L289 PolarHBondContact O-N 3.14Å; L289-T292 PolarHBondContact O-N 2.96Å; L289-T292 PolarHBondContact O-OG1 3.12Å; L289-N293 PolarHBondContact O-N 3.42Å; L289-L376 HydrophobicContact CB-CD1 4.37Å; L289-L376 HydrophobicContact CB-CD2 4.05Å; L289-L376 HydrophobicContact CD1-CD1 4.31Å |
| 290 | K | 98.1 | Very high | 96.5 | Very high | 69 Ų | 69 | 24.4 Ų | 24.4 | 30% | 0.3 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.1 | -48.2 | 176 | -71.6 | -173.7 | 66.6 | 153.7 | 0 | 111.5 | F286 A287 V288 T292 N293 V327 D330 L374 L376 | F286-K290 WeakPolarHBondContact O-CG 3.25Å; F286-K290 PolarHBondContact O-N 3.3Å; A287-K290 PolarHBondContact O-N 3.16Å; V288-K290 VanDerWaalsContact C-N 3.33Å; V288-K290 PolarHBondContact O-N 3.27Å; K290-T292 PolarHBondContact O-N 2.95Å; K290-N293 WeakPolarHBondContact O-CB 3.36Å; K290-N293 PolarHBondContact O-N 3.19Å; K290-V327 HydrophobicContact CD-CG2 3.99Å; K290-D330 IonicContact NZ-OD2 3.03Å; K290-D330 PolarHBondContact NZ-OD2 3.36Å; K290-L374 HydrophobicContact CD-CB 4.41Å; K290-L374 HydrophobicContact CD-CD2 4.44Å; K290-L374 WeakPolarHBondContact CD-O 3.39Å; K290-L374 WeakPolarHBondContact CE-O 3.32Å; K290-L374 PolarHBondContact NZ-O 3.17Å; K290-L376 HydrophobicContact CG-CD2 3.91Å |
| 291 | A | 97.8 | Very high | 96.3 | Very high | 26 Ų | 26 | 28 Ų | 28 | 22% | 0.215 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -31.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A287 V288 F317 | A287-A291 WeakPolarHBondContact O-CB 3.32Å; A287-A291 PolarHBondContact O-N 2.82Å; V288-A291 PolarHBondContact O-N 2.84Å; A291-F317 HydrophobicContact CB-CB 4.38Å; A291-F317 HydrophobicContact CB-CD1 4.12Å; A291-F317 WeakPolarHBondContact O-CD1 3.44Å; A291-F317 WeakPolarHBondContact O-CE1 3.19Å |
| 292 | T | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -100 | 2.2 | -178.1 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | F160 K161 V288 L289 K290 S294 L295 F317 | F160-T292 HydrophobicContact CD1-CG2 4.45Å; F160-T292 HydrophobicContact CE1-CG2 4.06Å; K161-T292 HydrophobicContact CG-CG2 4.4Å; V288-T292 HydrophobicContact CG1-CG2 4.31Å; V288-T292 WeakPolarHBondContact O-CB 3.36Å; V288-T292 WeakPolarHBondContact O-CG2 3.14Å; V288-T292 PolarHBondContact O-N 3.43Å; V288-T292 PolarHBondContact O-OG1 2.85Å; L289-T292 PolarHBondContact O-N 2.96Å; L289-T292 PolarHBondContact O-OG1 3.12Å; K290-T292 PolarHBondContact O-N 2.95Å; T292-S294 VanDerWaalsContact C-N 3.25Å; T292-S294 PolarHBondContact O-N 2.95Å; T292-L295 HydrophobicContact CG2-CD1 4.32Å; T292-L295 WeakPolarHBondContact O-CB 3.39Å; T292-L295 PolarHBondContact O-N 3.43Å; T292-F317 HydrophobicContact CG2-CB 3.74Å; T292-F317 HydrophobicContact CG2-CD1 3.98Å; T292-F317 HydrophobicContact CG2-CG 3.88Å |
| 293 | N | 96.8 | Very high | 95.9 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -57.8 | -36.5 | -174.8 | -173.9 | 40.6 | 0 | 0 | 0 | 112.8 | L289 K290 L295 Q296 G375 L376 T377 | L289-N293 PolarHBondContact O-N 3.42Å; K290-N293 WeakPolarHBondContact O-CB 3.36Å; K290-N293 PolarHBondContact O-N 3.19Å; N293-L295 PolarHBondContact O-N 3.32Å; N293-Q296 WeakPolarHBondContact O-CG 3.48Å; N293-Q296 PolarHBondContact O-N 3.05Å; N293-G375 PolarHBondContact ND2-O 3.2Å; N293-L376 HydrophobicContact CB-CD2 4.29Å; N293-T377 WeakPolarHBondContact OD1-CB 3.17Å; N293-T377 PolarHBondContact OD1-N 3.44Å; N293-T377 PolarHBondContact OD1-OG1 3.25Å |
| 294 | S | 94.8 | Very high | 95.7 | Very high | 107 Ų | 107 | 43.1 Ų | 43.1 | 75% | 0.748 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -70.4 | -15.4 | 177.9 | 61.4 | 0 | 0 | 0 | 0 | 114.2 | T292 Q296 | T292-S294 VanDerWaalsContact C-N 3.25Å; T292-S294 PolarHBondContact O-N 2.95Å; S294-Q296 VanDerWaalsContact C-N 3.34Å |
| 295 | L | 94.8 | Very high | 95.5 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 13% | 0.131 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -87.2 | -5.3 | -179.6 | -56.4 | -179.8 | 0 | 0 | 0 | 112.8 | M157 F160 T292 N293 V297 P306 F317 | M157-L295 HydrophobicContact CE-CB 3.96Å; M157-L295 WeakPolarHBondContact CE-O 3.31Å; M157-L295 HydrophobicContact SD-CB 4.06Å; F160-L295 HydrophobicContact CD1-CD1 4.49Å; F160-L295 HydrophobicContact CE1-CD1 3.79Å; F160-L295 HydrophobicContact CZ-CD1 4.49Å; T292-L295 HydrophobicContact CG2-CD1 4.32Å; T292-L295 WeakPolarHBondContact O-CB 3.39Å; T292-L295 PolarHBondContact O-N 3.43Å; N293-L295 PolarHBondContact O-N 3.32Å; L295-V297 PolarHBondContact O-N 2.91Å; L295-P306 HydrophobicContact CD1-CG 4.18Å; L295-P306 HydrophobicContact CD2-CG 4.11Å; L295-F317 HydrophobicContact CD1-CD2 4.48Å; L295-F317 HydrophobicContact CD1-CE1 4.11Å; L295-F317 HydrophobicContact CD1-CE2 3.94Å; L295-F317 HydrophobicContact CD1-CZ 3.74Å; L295-F317 HydrophobicContact CD2-CZ 4.46Å; L295-F317 HydrophobicContact CG-CZ 4.41Å |
| 296 | Q | 91 | Very high | 95.2 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 9% | 0.093 | 22% | 0.224 | C | C | . | . | trans | -67.7 | 121.4 | -175.6 | -65.9 | -170.5 | 4.7 | 0 | 0 | 112.1 | Y97 N293 S294 | Y97-Q296 PolarHBondContact OH-NE2 3.4Å; Y97-Q296 PolarHBondContact OH-OE1 2.8Å; N293-Q296 WeakPolarHBondContact O-CG 3.48Å; N293-Q296 PolarHBondContact O-N 3.05Å; S294-Q296 VanDerWaalsContact C-N 3.34Å | ||
| 297 | V | 91.8 | Very high | 94.9 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | trans | -106.5 | 127.4 | 177.1 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | G136 H137 L295 T299 W303 | G136-V297 WeakPolarHBondContact CA-O 3.29Å; H137-V297 PolarHBondContact N-O 3.27Å; L295-V297 PolarHBondContact O-N 2.91Å; V297-T299 WeakPolarHBondContact CG1-OG1 3.18Å; V297-W303 HydrophobicContact CG2-CB 4.24Å; V297-W303 HydrophobicContact CG2-CD2 4.39Å; V297-W303 HydrophobicContact CG2-CG 3.81Å | ||
| 298 | T | 93.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | trans | -114 | 33.9 | -178 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | H137 V379 K382 V383 | H137-T298 CarbonylContact O-C 3.51Å; H137-T298 VanDerWaalsContact O-C 3.23Å; H137-T298 WeakPolarHBondContact O-CA 3.3Å; T298-V379 HydrophobicContact CG2-CG1 4.15Å; T298-K382 HydrophobicContact CG2-CD 3.96Å; T298-K382 HydrophobicContact CG2-CG 4.29Å; T298-V383 HydrophobicContact CG2-CG2 4.17Å | ||
| 299 | T | 93.8 | Very high | 94 | Very high | 27 Ų | 27 | 58.2 Ų | 58.2 | 17% | 0.166 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -141 | 156.6 | -171 | 72.6 | 0 | 0 | 0 | 0 | 111 | G136 V297 Q301 | G136-T299 VanDerWaalsContact CA-O 3.24Å; G136-T299 WeakPolarHBondContact CA-O 3.42Å; G136-T299 PolarHBondContact N-O 3.43Å; V297-T299 WeakPolarHBondContact CG1-OG1 3.18Å; T299-Q301 PolarHBondContact O-N 3.37Å; T299-Q301 PolarHBondContact OG1-OE1 3.12Å |
| 300 | P | 93.9 | Very high | 93.5 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 40% | 0.403 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -76.1 | -2.8 | -177 | 30.3 | -35.7 | 0 | 0 | 0 | 113.8 | K135 | K135-P300 HydrophobicContact CD-CB 4.49Å; K135-P300 WeakPolarHBondContact CG-O 3.23Å |
| 301 | Q | 93.7 | Very high | 92.9 | Very high | 120 Ų | 120 | 65.2 Ų | 65.2 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -63.6 | 137.5 | 177.5 | -72.9 | 80.6 | 6.6 | 0 | 0 | 110.5 | T299 W303 | T299-Q301 PolarHBondContact O-N 3.37Å; T299-Q301 PolarHBondContact OG1-OE1 3.12Å; Q301-W303 PolarHBondContact O-N 3.2Å |
| 302 | R | 95 | Very high | 92.5 | Very high | 192 Ų | 192 | 66.6 Ų | 66.6 | 73% | 0.725 | 36% | 0.356 | S | S | * | . | trans | -66.5 | 129.3 | 176.1 | -66.4 | -178.7 | 179.7 | 179.7 | 0.9 | 109.7 | R134 | R134-R302 HydrophobicContact CB-CB 4.37Å; R134-R302 HydrophobicContact CB-CG 4.46Å; R134-R302 CarbonylContact O-C 3.51Å; R134-R302 VanDerWaalsContact O-CA 3.29Å; R134-R302 WeakPolarHBondContact O-CA 3.49Å | ||
| 303 | W | 92.4 | Very high | 92.1 | Very high | 97 Ų | 97 | 76.2 Ų | 76.2 | 37% | 0.367 | 40% | 0.401 | S | S | . | . | trans | -140.9 | 145 | -179.9 | 166.3 | -106.5 | 0 | 0 | 0 | 109.4 | R134 N156 V297 Q301 | R134-W303 PolarHBondContact O-N 3.38Å; R134-W303 VanDerWaalsContact O-O 3.13Å; N156-W303 PolarHBondContact ND2-O 3.17Å; V297-W303 HydrophobicContact CG2-CB 4.24Å; V297-W303 HydrophobicContact CG2-CD2 4.39Å; V297-W303 HydrophobicContact CG2-CG 3.81Å; Q301-W303 PolarHBondContact O-N 3.2Å | ||
| 304 | N | 93.6 | Very high | 91.9 | Very high | 67 Ų | 67 | 81 Ų | 81 | 36% | 0.358 | 42% | 0.416 | S | S | . | . | trans | -116.7 | 133.7 | 172.3 | -66.7 | -46.5 | 0 | 0 | 0 | 109 | R134 | R134-N304 WeakPolarHBondContact CD-OD1 3.22Å; R134-N304 PolarHBondContact NE-OD1 3.07Å; R134-N304 VanDerWaalsContact NE-OD1 3.16Å | ||
| 305 | P | 93.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 80.4 Ų | 80.4 | 7% | 0.071 | 40% | 0.398 | C | S | . | . | trans | -55.5 | 156.5 | 169.3 | -25.2 | 33.1 | 0 | 0 | 0 | 112.2 | N156 M157 F160 | N156-P305 HydrophobicContact CB-CG 4.46Å; N156-P305 VanDerWaalsContact ND2-CD 3.26Å; N156-P305 WeakPolarHBondContact ND2-CD 3.41Å; M157-P305 HydrophobicContact CE-CG 4.23Å; F160-P305 HydrophobicContact CB-CB 3.78Å; F160-P305 HydrophobicContact CB-CG 3.68Å; F160-P305 HydrophobicContact CD1-CB 3.92Å; F160-P305 HydrophobicContact CD2-CB 3.41Å; F160-P305 VanDerWaalsContact CD2-CB 3.41Å; F160-P305 HydrophobicContact CD2-CG 4.24Å; F160-P305 HydrophobicContact CE1-CB 4.35Å; F160-P305 HydrophobicContact CE2-CB 3.89Å; F160-P305 HydrophobicContact CG-CB 3.41Å; F160-P305 VanDerWaalsContact CG-CB 3.41Å; F160-P305 HydrophobicContact CG-CG 3.92Å; F160-P305 HydrophobicContact CZ-CB 4.32Å | ||
| 306 | P | 94.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 82 Ų | 82 | 6% | 0.058 | 41% | 0.406 | C | S | . | . | trans | -58.1 | 140.8 | 177.1 | -26.4 | 36.6 | 0 | 0 | 0 | 113.5 | F160 L295 H312 R314 W315 F317 | F160-P306 VanDerWaalsContact CE2-O 3.23Å; F160-P306 WeakPolarHBondContact CE2-O 3.06Å; L295-P306 HydrophobicContact CD1-CG 4.18Å; L295-P306 HydrophobicContact CD2-CG 4.11Å; P306-H312 HydrophobicContact CB-CB 3.98Å; P306-R314 WeakPolarHBondContact CB-O 3.44Å; P306-W315 HydrophobicContact CB-CB 4.15Å; P306-F317 HydrophobicContact CB-CE2 4.41Å; P306-F317 HydrophobicContact CG-CE2 4.22Å | ||
| 307 | E | 91.2 | Very high | 92.2 | Very high | 117 Ų | 117 | 81.4 Ų | 81.4 | 55% | 0.547 | 40% | 0.403 | S | S | . | . | trans | -128.9 | 157.4 | 178.8 | -67.1 | 178.4 | 176.9 | 0 | 0 | 111.6 | N309 H312 | E307-N309 PolarHBondContact O-N 3.43Å; E307-N309 PolarHBondContact O-OD1 3.24Å; E307-H312 PolarHBondContact N-CD2 2.98Å; E307-H312 VanDerWaalsContact N-CD2 3.3Å | ||
| 308 | N | 90 | Very high | 92.4 | Very high | 120 Ų | 120 | 85.2 Ų | 85.2 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 72.9 | 174.4 | -170.7 | 7.5 | 0 | 0 | 0 | 111.1 | W315 | N308-W315 HydrophobicContact CB-CD2 3.99Å; N308-W315 HydrophobicContact CB-CG 3.93Å; N308-W315 HydrophobicContact CB-CZ2 4.4Å; N308-W315 WeakPolarHBondContact OD1-CZ2 3.08Å |
| 309 | N | 89.1 | Confident | 92.6 | Very high | 74 Ų | 74 | 85.1 Ų | 85.1 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 8 | -177.5 | 62.7 | 15.6 | 0 | 0 | 0 | 112.9 | E307 L311 | E307-N309 PolarHBondContact O-N 3.43Å; E307-N309 PolarHBondContact O-OD1 3.24Å; N309-L311 PolarHBondContact O-N 2.92Å; N309-L311 VanDerWaalsContact OD1-CB 3.24Å; N309-L311 WeakPolarHBondContact OD1-CB 3.06Å; N309-L311 PolarHBondContact OD1-N 3.01Å |
| 310 | G | 86.5 | Confident | 92.7 | Very high | 70 Ų | 70 | 86.4 Ų | 86.4 | 72% | 0.722 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | -3.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 311 | L | 86.8 | Confident | 92.9 | Very high | 147 Ų | 147 | 90.4 Ų | 90.4 | 77% | 0.77 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -21.1 | 176.8 | -58.4 | 173.3 | 0 | 0 | 0 | 113 | N309 | N309-L311 PolarHBondContact O-N 2.92Å; N309-L311 VanDerWaalsContact OD1-CB 3.24Å; N309-L311 WeakPolarHBondContact OD1-CB 3.06Å; N309-L311 PolarHBondContact OD1-N 3.01Å |
| 312 | H | 88.8 | Confident | 93.1 | Very high | 56 Ų | 56 | 87.9 Ų | 87.9 | 26% | 0.259 | 44% | 0.436 | S | S | . | . | trans | -107.8 | 132.2 | -179.5 | -62 | -80 | 0 | 0 | 0 | 111 | P306 E307 R314 W315 | P306-H312 HydrophobicContact CB-CB 3.98Å; E307-H312 PolarHBondContact N-CD2 2.98Å; E307-H312 VanDerWaalsContact N-CD2 3.3Å; H312-R314 VanDerWaalsContact C-N 3.29Å; H312-R314 PolarHBondContact O-N 3.05Å; H312-W315 WeakPolarHBondContact O-CZ3 3.35Å | ||
| 313 | E | 88.6 | Confident | 93.2 | Very high | 202 Ų | 202 | 82.2 Ų | 82.2 | 94% | 0.944 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -65.3 | -33.9 | 175.2 | -64.8 | -178.5 | 169.3 | 0 | 0 | 112.2 | ||
| 314 | R | 93.4 | Very high | 93.5 | Very high | 130 Ų | 130 | 79.4 Ų | 79.4 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | trans | -138 | 125.5 | 177.2 | -175.6 | -178.7 | 179.4 | -176.5 | 2.5 | 110.6 | P306 H312 D316 F317 | P306-R314 WeakPolarHBondContact CB-O 3.44Å; H312-R314 VanDerWaalsContact C-N 3.29Å; H312-R314 PolarHBondContact O-N 3.05Å; R314-D316 PolarHBondContact NE-O 2.81Å; R314-D316 VanDerWaalsContact NE-O 3.11Å; R314-F317 HydrophobicContact CB-CZ 4.38Å; R314-F317 HydrophobicContact CG-CE1 4.27Å; R314-F317 HydrophobicContact CG-CE2 4.05Å; R314-F317 HydrophobicContact CG-CZ 3.84Å | ||
| 315 | W | 93.4 | Very high | 93.7 | Very high | 96 Ų | 96 | 82.5 Ų | 82.5 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | trans | -126.4 | -15.5 | 174.1 | 62.8 | 83.9 | 0 | 0 | 0 | 113.5 | P306 N308 H312 F317 | P306-W315 HydrophobicContact CB-CB 4.15Å; N308-W315 HydrophobicContact CB-CD2 3.99Å; N308-W315 HydrophobicContact CB-CG 3.93Å; N308-W315 HydrophobicContact CB-CZ2 4.4Å; N308-W315 WeakPolarHBondContact OD1-CZ2 3.08Å; H312-W315 WeakPolarHBondContact O-CZ3 3.35Å; W315-F317 WeakPolarHBondContact O-CD2 3.08Å | ||
| 316 | D | 94.9 | Very high | 93.8 | Very high | 57 Ų | 57 | 86 Ų | 86 | 31% | 0.305 | 44% | 0.441 | S | S | . | . | trans | -95.2 | 115.3 | 178.2 | -165.5 | -11.9 | 0 | 0 | 0 | 109.5 | R314 R318 | R314-D316 PolarHBondContact NE-O 2.81Å; R314-D316 VanDerWaalsContact NE-O 3.11Å; D316-R318 VanDerWaalsContact CG-NE 3.32Å; D316-R318 VanDerWaalsContact OD1-CB 3.24Å; D316-R318 WeakPolarHBondContact OD1-CB 3.29Å; D316-R318 WeakPolarHBondContact OD1-CG 3.49Å; D316-R318 IonicContact OD1-CZ 2.74Å; D316-R318 PolarHBondContact OD1-N 2.78Å; D316-R318 VanDerWaalsContact OD1-N 3.08Å; D316-R318 IonicContact OD1-NE 2.93Å; D316-R318 PolarHBondContact OD1-NE 3.09Å; D316-R318 IonicContact OD2-CZ 3.99Å; D316-R318 VanDerWaalsContact OD2-CZ 3.26Å; D316-R318 IonicContact OD2-NE 2.89Å; D316-R318 PolarHBondContact OD2-NE 3.4Å; D316-R318 IonicContact OD2-NH2 3.4Å; D316-R318 PolarHBondContact OD2-NH2 3.38Å | ||
| 317 | F | 97.1 | Very high | 94 | Very high | 8 Ų | 8 | 85.6 Ų | 85.6 | 4% | 0.035 | 44% | 0.439 | C | S | . | . | trans | -121.4 | 18.9 | 178.8 | -65.3 | -96.8 | 0 | 0 | 0 | 111.1 | F160 Q164 A291 T292 L295 P306 R314 W315 A319 | F160-F317 AromaticContact CE1-CD2 3.83Å; F160-F317 HydrophobicContact CE1-CD2 3.83Å; F160-F317 HydrophobicContact CE1-CE2 4.27Å; F160-F317 HydrophobicContact CE1-CG 4.42Å; F160-F317 AromaticContact CZ-CD2 3.58Å; F160-F317 HydrophobicContact CZ-CD2 3.58Å; F160-F317 AromaticContact CZ-CE2 3.94Å; F160-F317 HydrophobicContact CZ-CE2 3.94Å; Q164-F317 HydrophobicContact CG-CB 4Å; A291-F317 HydrophobicContact CB-CB 4.38Å; A291-F317 HydrophobicContact CB-CD1 4.12Å; A291-F317 WeakPolarHBondContact O-CD1 3.44Å; A291-F317 WeakPolarHBondContact O-CE1 3.19Å; T292-F317 HydrophobicContact CG2-CB 3.74Å; T292-F317 HydrophobicContact CG2-CD1 3.98Å; T292-F317 HydrophobicContact CG2-CG 3.88Å; L295-F317 HydrophobicContact CD1-CD2 4.48Å; L295-F317 HydrophobicContact CD1-CE1 4.11Å; L295-F317 HydrophobicContact CD1-CE2 3.94Å; L295-F317 HydrophobicContact CD1-CZ 3.74Å; L295-F317 HydrophobicContact CD2-CZ 4.46Å; L295-F317 HydrophobicContact CG-CZ 4.41Å; P306-F317 HydrophobicContact CB-CE2 4.41Å; P306-F317 HydrophobicContact CG-CE2 4.22Å; R314-F317 HydrophobicContact CB-CZ 4.38Å; R314-F317 HydrophobicContact CG-CE1 4.27Å; R314-F317 HydrophobicContact CG-CE2 4.05Å; R314-F317 HydrophobicContact CG-CZ 3.84Å; W315-F317 WeakPolarHBondContact O-CD2 3.08Å; F317-A319 PolarHBondContact O-N 3.11Å | ||
| 318 | R | 97.1 | Very high | 94.3 | Very high | 120 Ų | 120 | 82.2 Ų | 82.2 | 45% | 0.453 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -60 | 134.3 | 172.9 | -65.1 | -179.9 | -64.2 | 160.7 | -9.4 | 109.6 | Q164 Q166 D316 | Q164-R318 HydrophobicContact CB-CG 4.3Å; Q164-R318 WeakPolarHBondContact O-CG 3.26Å; Q166-R318 HydrophobicContact CG-CB 4.03Å; Q166-R318 HydrophobicContact CG-CG 3.98Å; D316-R318 VanDerWaalsContact CG-NE 3.32Å; D316-R318 VanDerWaalsContact OD1-CB 3.24Å; D316-R318 WeakPolarHBondContact OD1-CB 3.29Å; D316-R318 WeakPolarHBondContact OD1-CG 3.49Å; D316-R318 IonicContact OD1-CZ 2.74Å; D316-R318 PolarHBondContact OD1-N 2.78Å; D316-R318 VanDerWaalsContact OD1-N 3.08Å; D316-R318 IonicContact OD1-NE 2.93Å; D316-R318 PolarHBondContact OD1-NE 3.09Å; D316-R318 IonicContact OD2-CZ 3.99Å; D316-R318 VanDerWaalsContact OD2-CZ 3.26Å; D316-R318 IonicContact OD2-NE 2.89Å; D316-R318 PolarHBondContact OD2-NE 3.4Å; D316-R318 IonicContact OD2-NH2 3.4Å; D316-R318 PolarHBondContact OD2-NH2 3.38Å |
| 319 | A | 96.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 82.7 Ų | 82.7 | 5% | 0.05 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 136.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q166 E284 A287 V288 F317 D323 M324 | Q166-A319 PolarHBondContact NE2-O 3.41Å; E284-A319 HydrophobicContact CG-CB 4.11Å; A287-A319 HydrophobicContact CB-CB 3.48Å; A287-A319 VanDerWaalsContact CB-CB 3.48Å; V288-A319 HydrophobicContact CG2-CB 4.4Å; F317-A319 PolarHBondContact O-N 3.11Å; A319-D323 HydrophobicContact CB-CB 4.44Å; A319-M324 HydrophobicContact CB-CG 4.24Å |
| 320 | S | 97.2 | Very high | 95 | Very high | 53 Ų | 53 | 81.3 Ų | 81.3 | 37% | 0.371 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 167.5 | 166.1 | 71.4 | 0 | 0 | 0 | 0 | 111.2 | A322 D323 M324 | S320-A322 PolarHBondContact O-N 3.03Å; S320-A322 PolarHBondContact OG-N 3.35Å; S320-D323 VanDerWaalsContact CB-OD2 3.32Å; S320-D323 WeakPolarHBondContact CB-OD2 3.24Å; S320-D323 PolarHBondContact N-OD2 2.92Å; S320-D323 PolarHBondContact O-N 3.25Å; S320-D323 PolarHBondContact OG-N 3.08Å; S320-D323 PolarHBondContact OG-OD2 2.73Å; S320-M324 PolarHBondContact O-N 3.31Å; S320-M324 VanDerWaalsContact O-N 3.12Å |
| 321 | E | 97.1 | Very high | 95.4 | Very high | 146 Ų | 146 | 78.7 Ų | 78.7 | 68% | 0.682 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.8 | -37.8 | 172.8 | -68.4 | -177.8 | 177.9 | 0 | 0 | 112.2 | M324 M325 | E321-M324 HydrophobicContact CB-CE 4.5Å; E321-M324 HydrophobicContact CG-CE 4.19Å; E321-M324 PolarHBondContact O-N 3.23Å; E321-M325 WeakPolarHBondContact O-CG 3.22Å; E321-M325 PolarHBondContact O-N 3.47Å |
| 322 | A | 97.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 76.7 Ų | 76.7 | 55% | 0.554 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S320 M324 M325 Q326 | S320-A322 PolarHBondContact O-N 3.03Å; S320-A322 PolarHBondContact OG-N 3.35Å; A322-M324 VanDerWaalsContact C-N 3.34Å; A322-M324 PolarHBondContact O-N 2.83Å; A322-M325 PolarHBondContact O-N 3.2Å; A322-Q326 PolarHBondContact O-N 2.9Å |
| 323 | D | 97.8 | Very high | 95.9 | Very high | 74 Ų | 74 | 76.4 Ų | 76.4 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 176.6 | -58.2 | -51.4 | 0 | 0 | 0 | 111.2 | A287 A319 S320 Q326 V327 | A287-D323 HydrophobicContact CB-CB 3.9Å; A319-D323 HydrophobicContact CB-CB 4.44Å; S320-D323 VanDerWaalsContact CB-OD2 3.32Å; S320-D323 WeakPolarHBondContact CB-OD2 3.24Å; S320-D323 PolarHBondContact N-OD2 2.92Å; S320-D323 PolarHBondContact O-N 3.25Å; S320-D323 PolarHBondContact OG-N 3.08Å; S320-D323 PolarHBondContact OG-OD2 2.73Å; D323-Q326 PolarHBondContact O-N 2.96Å; D323-V327 WeakPolarHBondContact O-CG2 3.37Å; D323-V327 PolarHBondContact O-N 3.42Å; D323-V327 VanDerWaalsContact O-N 3.1Å |
| 324 | M | 98.1 | Very high | 96.1 | Very high | 38 Ų | 38 | 73.8 Ų | 73.8 | 19% | 0.187 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 176.1 | -68 | -173.8 | -72.3 | 0 | 0 | 112 | M167 P283 E284 A287 A319 S320 E321 A322 Q326 V327 V328 | M167-M324 HydrophobicContact SD-SD 4.12Å; P283-M324 HydrophobicContact CB-CB 4.12Å; P283-M324 HydrophobicContact CB-CG 4.36Å; E284-M324 HydrophobicContact CB-CG 4.4Å; E284-M324 HydrophobicContact CB-SD 3.74Å; E284-M324 HydrophobicContact CG-SD 4.19Å; A287-M324 HydrophobicContact CB-CG 4.3Å; A319-M324 HydrophobicContact CB-CG 4.24Å; S320-M324 PolarHBondContact O-N 3.31Å; S320-M324 VanDerWaalsContact O-N 3.12Å; E321-M324 HydrophobicContact CB-CE 4.5Å; E321-M324 HydrophobicContact CG-CE 4.19Å; E321-M324 PolarHBondContact O-N 3.23Å; A322-M324 VanDerWaalsContact C-N 3.34Å; A322-M324 PolarHBondContact O-N 2.83Å; M324-Q326 VanDerWaalsContact C-N 3.34Å; M324-V327 PolarHBondContact O-N 2.55Å; M324-V328 WeakPolarHBondContact O-CG2 3.46Å; M324-V328 PolarHBondContact O-N 2.83Å; M324-V328 VanDerWaalsContact O-N 3.1Å |
| 325 | M | 97.4 | Very high | 96.2 | Very high | 131 Ų | 131 | 69 Ų | 69 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 174.4 | -72.3 | -178.6 | -174.4 | 0 | 0 | 111.8 | E321 A322 V327 V328 E329 | E321-M325 WeakPolarHBondContact O-CG 3.22Å; E321-M325 PolarHBondContact O-N 3.47Å; A322-M325 PolarHBondContact O-N 3.2Å; M325-V327 VanDerWaalsContact C-N 3.34Å; M325-V327 PolarHBondContact O-N 2.83Å; M325-V328 WeakPolarHBondContact O-CB 3.38Å; M325-V328 PolarHBondContact O-N 2.75Å; M325-E329 PolarHBondContact O-N 3.14Å |
| 326 | Q | 97.6 | Very high | 96.3 | Very high | 85 Ų | 85 | 66.5 Ų | 66.5 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 175.9 | -171.1 | 62.4 | 65.9 | 0 | 0 | 111.5 | A322 D323 M324 V328 E329 D330 | A322-Q326 PolarHBondContact O-N 2.9Å; D323-Q326 PolarHBondContact O-N 2.96Å; M324-Q326 VanDerWaalsContact C-N 3.34Å; Q326-V328 VanDerWaalsContact C-N 3.32Å; Q326-V328 PolarHBondContact O-N 3.42Å; Q326-E329 PolarHBondContact NE2-OE2 3.22Å; Q326-E329 WeakPolarHBondContact O-CB 3.35Å; Q326-E329 PolarHBondContact O-N 3.28Å; Q326-D330 PolarHBondContact NE2-OD1 3.07Å; Q326-D330 PolarHBondContact O-N 2.89Å |
| 327 | V | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 175.2 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | F286 A287 K290 D323 M324 M325 E329 D330 L331 L374 | F286-V327 HydrophobicContact CB-CG1 3.65Å; F286-V327 HydrophobicContact CB-CG2 4.2Å; F286-V327 HydrophobicContact CD2-CG1 4.24Å; F286-V327 HydrophobicContact CG-CG1 4.48Å; A287-V327 HydrophobicContact CB-CG2 3.99Å; K290-V327 HydrophobicContact CD-CG2 3.99Å; D323-V327 WeakPolarHBondContact O-CG2 3.37Å; D323-V327 PolarHBondContact O-N 3.42Å; D323-V327 VanDerWaalsContact O-N 3.1Å; M324-V327 PolarHBondContact O-N 2.55Å; M325-V327 VanDerWaalsContact C-N 3.34Å; M325-V327 PolarHBondContact O-N 2.83Å; V327-E329 VanDerWaalsContact C-N 3.3Å; V327-E329 PolarHBondContact O-N 2.98Å; V327-D330 PolarHBondContact O-N 2.77Å; V327-L331 HydrophobicContact CG1-CD1 4.07Å; V327-L331 WeakPolarHBondContact O-CB 3.47Å; V327-L331 WeakPolarHBondContact O-CG 3.44Å; V327-L331 PolarHBondContact O-N 3.37Å; V327-L374 HydrophobicContact CG1-CD2 4.47Å |
| 328 | V | 97.4 | Very high | 96.4 | Very high | 46 Ų | 46 | 66.3 Ų | 66.3 | 28% | 0.279 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | P283 M324 M325 Q326 L331 S332 G333 L335 | P283-V328 HydrophobicContact CB-CG2 4.29Å; P283-V328 HydrophobicContact CG-CG2 4.17Å; M324-V328 WeakPolarHBondContact O-CG2 3.46Å; M324-V328 PolarHBondContact O-N 2.83Å; M324-V328 VanDerWaalsContact O-N 3.1Å; M325-V328 WeakPolarHBondContact O-CB 3.38Å; M325-V328 PolarHBondContact O-N 2.75Å; Q326-V328 VanDerWaalsContact C-N 3.32Å; Q326-V328 PolarHBondContact O-N 3.42Å; V328-L331 CarbonylContact O-C 3.45Å; V328-L331 PolarHBondContact O-N 3.15Å; V328-S332 PolarHBondContact O-N 3.37Å; V328-G333 WeakPolarHBondContact O-CA 3.02Å; V328-G333 PolarHBondContact O-N 3.21Å; V328-L335 HydrophobicContact CG2-CD1 4.17Å; V328-L335 HydrophobicContact CG2-CD2 4.09Å |
| 329 | E | 97.1 | Very high | 96.3 | Very high | 130 Ų | 130 | 68.3 Ų | 68.3 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 175.5 | -175.3 | 179.6 | -158.4 | 0 | 0 | 112.2 | M325 Q326 V327 L331 S332 | M325-E329 PolarHBondContact O-N 3.14Å; Q326-E329 PolarHBondContact NE2-OE2 3.22Å; Q326-E329 WeakPolarHBondContact O-CB 3.35Å; Q326-E329 PolarHBondContact O-N 3.28Å; V327-E329 VanDerWaalsContact C-N 3.3Å; V327-E329 PolarHBondContact O-N 2.98Å; E329-L331 PolarHBondContact O-N 3.37Å; E329-S332 WeakPolarHBondContact O-CA 3.29Å; E329-S332 PolarHBondContact O-N 3.5Å |
| 330 | D | 96.1 | Very high | 96.3 | Very high | 44 Ų | 44 | 70.1 Ų | 70.1 | 24% | 0.235 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.3 | -30.1 | 177.5 | -59.3 | -30.1 | 0 | 0 | 0 | 111.9 | K290 Q326 V327 S332 L374 | K290-D330 IonicContact NZ-OD2 3.03Å; K290-D330 PolarHBondContact NZ-OD2 3.36Å; Q326-D330 PolarHBondContact NE2-OD1 3.07Å; Q326-D330 PolarHBondContact O-N 2.89Å; V327-D330 PolarHBondContact O-N 2.77Å; D330-S332 VanDerWaalsContact C-N 3.27Å; D330-L374 HydrophobicContact CB-CD2 3.92Å |
| 331 | L | 94.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 70 Ų | 70 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 11.5 | 173.1 | -64.8 | 176.2 | 0 | 0 | 0 | 113.2 | Y281 F286 V327 V328 E329 G333 E334 L335 L374 | Y281-L331 HydrophobicContact CD2-CD1 4.13Å; F286-L331 HydrophobicContact CD2-CD1 4.14Å; F286-L331 HydrophobicContact CE2-CD1 4.38Å; V327-L331 HydrophobicContact CG1-CD1 4.07Å; V327-L331 WeakPolarHBondContact O-CB 3.47Å; V327-L331 WeakPolarHBondContact O-CG 3.44Å; V327-L331 PolarHBondContact O-N 3.37Å; V328-L331 CarbonylContact O-C 3.45Å; V328-L331 PolarHBondContact O-N 3.15Å; E329-L331 PolarHBondContact O-N 3.37Å; L331-G333 PolarHBondContact O-N 3.48Å; L331-E334 PolarHBondContact O-N 3.1Å; L331-L335 HydrophobicContact CD1-CD2 3.79Å; L331-L374 HydrophobicContact CD2-CD2 4.2Å; L331-L374 HydrophobicContact CG-CD2 4.23Å |
| 332 | S | 94.5 | Very high | 96.2 | Very high | 106 Ų | 106 | 64.8 Ų | 64.8 | 74% | 0.741 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 27.1 | 179.4 | -52.8 | 0 | 0 | 0 | 0 | 114.2 | V328 E329 D330 E334 | V328-S332 PolarHBondContact O-N 3.37Å; E329-S332 WeakPolarHBondContact O-CA 3.29Å; E329-S332 PolarHBondContact O-N 3.5Å; D330-S332 VanDerWaalsContact C-N 3.27Å; S332-E334 PolarHBondContact O-N 3.05Å |
| 333 | G | 92.3 | Very high | 96.1 | Very high | 49 Ų | 49 | 68.7 Ų | 68.7 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -4.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V328 L331 | V328-G333 WeakPolarHBondContact O-CA 3.02Å; V328-G333 PolarHBondContact O-N 3.21Å; L331-G333 PolarHBondContact O-N 3.48Å |
| 334 | E | 92.7 | Very high | 95.9 | Very high | 147 Ų | 147 | 66.6 Ų | 66.6 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | trans | -98.4 | 103.3 | -176.7 | -66.2 | -176.6 | -171 | 0 | 0 | 110.8 | L331 S332 | L331-E334 PolarHBondContact O-N 3.1Å; S332-E334 PolarHBondContact O-N 3.05Å | ||
| 335 | L | 95 | Very high | 95.8 | Very high | 29 Ų | 29 | 65.5 Ų | 65.5 | 15% | 0.152 | 35% | 0.352 | C | S | . | . | trans | -88.9 | -11.5 | 178.1 | -63.6 | 173.3 | 0 | 0 | 0 | 113.1 | E280 Y281 P283 V328 L331 I337 | E280-L335 CarbonylContact C-O 3.44Å; E280-L335 WeakPolarHBondContact CA-O 3.4Å; E280-L335 HydrophobicContact CB-CB 4.49Å; E280-L335 WeakPolarHBondContact CB-O 3.44Å; Y281-L335 PolarHBondContact N-O 3.39Å; P283-L335 HydrophobicContact CG-CD1 3.8Å; P283-L335 HydrophobicContact CG-CD2 3.97Å; V328-L335 HydrophobicContact CG2-CD1 4.17Å; V328-L335 HydrophobicContact CG2-CD2 4.09Å; L331-L335 HydrophobicContact CD1-CD2 3.79Å; L335-I337 PolarHBondContact O-N 2.76Å | ||
| 336 | A | 96.5 | Very high | 95.7 | Very high | 44 Ų | 44 | 64.1 Ų | 64.1 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -61.7 | 130.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | P338 | A336-P338 WeakPolarHBondContact O-CD 3.49Å |
| 337 | I | 97.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.056 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 122.3 | 176.3 | -57.1 | -167.2 | 0 | 0 | 0 | 107.6 | W100 Y106 V114 L279 Y281 L335 | W100-I337 HydrophobicContact CZ2-CB 4.31Å; W100-I337 HydrophobicContact CZ2-CG2 3.99Å; Y106-I337 HydrophobicContact CD2-CG2 4.45Å; Y106-I337 HydrophobicContact CE1-CD1 4.32Å; Y106-I337 HydrophobicContact CE2-CD1 3.76Å; Y106-I337 HydrophobicContact CE2-CG2 3.81Å; V114-I337 HydrophobicContact CG1-CD1 4.12Å; L279-I337 HydrophobicContact CB-CD1 4.48Å; L279-I337 HydrophobicContact CD2-CD1 3.81Å; L279-I337 HydrophobicContact CG-CD1 3.73Å; L279-I337 HydrophobicContact CG-CG1 4.3Å; L279-I337 PolarHBondContact O-N 2.87Å; Y281-I337 HydrophobicContact CD1-CD1 3.64Å; Y281-I337 HydrophobicContact CD1-CG1 3.65Å; Y281-I337 HydrophobicContact CD2-CG1 4.1Å; Y281-I337 HydrophobicContact CE1-CB 4.37Å; Y281-I337 HydrophobicContact CE1-CD1 3.61Å; Y281-I337 HydrophobicContact CE1-CG1 3.64Å; Y281-I337 HydrophobicContact CE1-CG2 4.11Å; Y281-I337 HydrophobicContact CE2-CB 4.41Å; Y281-I337 HydrophobicContact CE2-CG1 4.09Å; Y281-I337 HydrophobicContact CE2-CG2 4.48Å; Y281-I337 HydrophobicContact CG-CD1 4.35Å; Y281-I337 HydrophobicContact CG-CG1 3.9Å; L335-I337 PolarHBondContact O-N 2.76Å |
| 338 | P | 96.2 | Very high | 95.4 | Very high | 51 Ų | 51 | 64.4 Ų | 64.4 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 138.2 | -178.4 | 26.6 | -34.2 | 0 | 0 | 0 | 110.6 | W100 A336 N340 | W100-P338 VanDerWaalsContact CD1-O 3.31Å; W100-P338 PolarHBondContact NE1-O 2.63Å; A336-P338 WeakPolarHBondContact O-CD 3.49Å; P338-N340 HydrophobicContact CB-CB 4.43Å; P338-N340 PolarHBondContact O-N 2.66Å; P338-N340 PolarHBondContact O-OD1 3.06Å; P338-N340 VanDerWaalsContact O-OD1 3.08Å |
| 339 | E | 95.4 | Very high | 95.2 | Very high | 161 Ų | 161 | 65.5 Ų | 65.5 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | trans | -77.2 | 62.2 | 174 | -64.4 | -169.2 | -175.4 | 0 | 0 | 111.2 | ||||
| 340 | N | 96.3 | Very high | 94.9 | Very high | 45 Ų | 45 | 62.9 Ų | 62.9 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | trans | -103.8 | 34.5 | -173 | 65.6 | -17 | 0 | 0 | 0 | 113.5 | P338 S342 Q366 | P338-N340 HydrophobicContact CB-CB 4.43Å; P338-N340 PolarHBondContact O-N 2.66Å; P338-N340 PolarHBondContact O-OD1 3.06Å; P338-N340 VanDerWaalsContact O-OD1 3.08Å; N340-S342 PolarHBondContact O-N 2.88Å; N340-Q366 WeakPolarHBondContact OD1-CG 3.39Å; N340-Q366 PolarHBondContact OD1-OE1 3.28Å | ||
| 341 | F | 97.1 | Very high | 94.8 | Very high | 49 Ų | 49 | 64.7 Ų | 64.7 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | trans | -55.2 | 131.1 | 173.7 | 169.5 | -109.9 | 0 | 0 | 0 | 111.1 | Y69 W100 V101 P103 R343 | Y69-F341 HydrophobicContact CD2-CE2 4.04Å; Y69-F341 AromaticContact CD2-CZ 3.7Å; Y69-F341 HydrophobicContact CD2-CZ 3.7Å; Y69-F341 HydrophobicContact CE2-CE2 4.02Å; Y69-F341 AromaticContact CE2-CZ 3.86Å; Y69-F341 HydrophobicContact CE2-CZ 3.86Å; W100-F341 HydrophobicContact CB-CB 3.86Å; W100-F341 HydrophobicContact CB-CD2 4.46Å; W100-F341 WeakPolarHBondContact O-CD2 3.39Å; V101-F341 WeakPolarHBondContact O-CE2 3.21Å; P103-F341 HydrophobicContact CG-CD1 3.83Å; P103-F341 HydrophobicContact CG-CE1 4.37Å; F341-R343 HydrophobicContact CE1-CG 4.11Å; F341-R343 HydrophobicContact CZ-CG 3.9Å | ||
| 342 | S | 94.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 69.8 Ų | 69.8 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | trans | -138.1 | 138.6 | 174.2 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | N340 T344 | N340-S342 PolarHBondContact O-N 2.88Å; S342-T344 PolarHBondContact O-N 3.08Å | ||
| 343 | R | 95.7 | Very high | 94.4 | Very high | 149 Ų | 149 | 68 Ų | 68 | 56% | 0.562 | 38% | 0.38 | S | S | * | . | trans | -72.3 | 114.9 | 173.9 | -65.3 | 179.5 | -64 | -175.8 | 1 | 109.9 | Y69 F341 | Y69-R343 HydrophobicContact CE1-CB 4.29Å; Y69-R343 HydrophobicContact CE1-CG 4.08Å; Y69-R343 HydrophobicContact CE2-CB 4.46Å; Y69-R343 HydrophobicContact CE2-CG 4.2Å; Y69-R343 WeakPolarHBondContact O-CD 3.35Å; Y69-R343 WeakPolarHBondContact OH-CA 3.38Å; F341-R343 HydrophobicContact CE1-CG 4.11Å; F341-R343 HydrophobicContact CZ-CG 3.9Å | ||
| 344 | T | 95.3 | Very high | 94.3 | Very high | 30 Ų | 30 | 71.3 Ų | 71.3 | 18% | 0.184 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -84.3 | -20.1 | 176.2 | 46.3 | 0 | 0 | 0 | 0 | 113.9 | R44 Y69 E94 S342 N364 | R44-T344 PolarHBondContact NH1-OG1 2.82Å; Y69-T344 PolarHBondContact OH-N 3.28Å; Y69-T344 VanDerWaalsContact OH-N 3.09Å; E94-T344 WeakPolarHBondContact OE2-CB 3.49Å; E94-T344 PolarHBondContact OE2-OG1 2.82Å; S342-T344 PolarHBondContact O-N 3.08Å; T344-N364 HydrophobicContact CG2-CB 4.42Å |
| 345 | V | 95.4 | Very high | 93.9 | Very high | 14 Ų | 14 | 67.7 Ų | 67.7 | 9% | 0.085 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -140.5 | 161.3 | 177.3 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | R44 N45 Y69 N362 | R44-V345 HydrophobicContact CB-CG2 3.99Å; R44-V345 HydrophobicContact CG-CG2 4.46Å; N45-V345 WeakPolarHBondContact ND2-CG2 3.4Å; Y69-V345 HydrophobicContact CE1-CG2 4.47Å; Y69-V345 WeakPolarHBondContact CE1-O 3.18Å; Y69-V345 PolarHBondContact OH-N 2.89Å; Y69-V345 PolarHBondContact OH-O 3.43Å; V345-N362 WeakPolarHBondContact CG1-ND2 3.27Å |
| 346 | P | 94.7 | Very high | 93.5 | Very high | 103 Ų | 103 | 74.3 Ų | 74.3 | 67% | 0.669 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 138.1 | 170.5 | -22.3 | 34.4 | 0 | 0 | 0 | 111.8 | N45 | N45-P346 PolarHBondContact ND2-O 3.3Š|
| 347 | P | 94.9 | Very high | 93 | Very high | 41 Ų | 41 | 73.5 Ų | 73.5 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 157 | 169.7 | 29.1 | -33.7 | 0 | 0 | 0 | 110.8 | R44 Y69 | R44-P347 CarbonylContact O-C 3.18Å; R44-P347 WeakPolarHBondContact O-CA 3.46Å; Y69-P347 HydrophobicContact CD1-CB 4.06Å; Y69-P347 HydrophobicContact CE1-CB 4.42Å |
| 348 | Y | 93.9 | Very high | 92.7 | Very high | 50 Ų | 50 | 77.8 Ų | 77.8 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 138.2 | 168.5 | 172.7 | -112.6 | 0 | 0 | 0 | 111.2 | R44 E46 M61 Y65 P350 P353 | R44-Y348 PolarHBondContact O-N 3.5Å; E46-Y348 HydrophobicContact CG-CD2 3.75Å; E46-Y348 HydrophobicContact CG-CE2 3.83Å; E46-Y348 WeakPolarHBondContact OE2-CD2 3.48Å; E46-Y348 VanDerWaalsContact OE2-CE2 3.26Å; E46-Y348 WeakPolarHBondContact OE2-CE2 3.12Å; M61-Y348 HydrophobicContact CE-CD1 4.31Å; M61-Y348 HydrophobicContact CE-CG 4.07Å; M61-Y348 HydrophobicContact CG-CD1 4.11Å; M61-Y348 HydrophobicContact CG-CE1 4.29Å; M61-Y348 HydrophobicContact CG-CG 4.34Å; M61-Y348 HydrophobicContact SD-CG 4.48Å; Y65-Y348 HydrophobicContact CD2-CD1 4.11Å; Y65-Y348 HydrophobicContact CD2-CG 4.42Å; Y65-Y348 WeakPolarHBondContact CD2-O 3.37Å; Y65-Y348 HydrophobicContact CE1-CD1 4.03Å; Y65-Y348 AromaticContact CE2-CD1 3.51Å; Y65-Y348 HydrophobicContact CE2-CD1 3.51Å; Y65-Y348 HydrophobicContact CE2-CE1 4.5Å; Y65-Y348 HydrophobicContact CE2-CG 4.21Å; Y65-Y348 WeakPolarHBondContact CE2-O 3.46Å; Y65-Y348 AromaticContact CZ-CD1 3.47Å; Y65-Y348 VanDerWaalsContact CZ-CD1 3.47Å; Y348-P350 HydrophobicContact CD1-CG 4.05Å; Y348-P350 HydrophobicContact CE1-CB 4.07Å; Y348-P350 HydrophobicContact CE1-CG 3.74Å; Y348-P353 HydrophobicContact CE2-CB 4.04Å |
| 349 | D | 92.8 | Very high | 92.4 | Very high | 69 Ų | 69 | 77.1 Ų | 77.1 | 37% | 0.369 | 42% | 0.418 | S | S | . | . | trans | -113.4 | 107.7 | 174.6 | 179.6 | 1.7 | 0 | 0 | 0 | 109.2 | S351 H352 | D349-S351 PolarHBondContact O-N 2.79Å; D349-S351 VanDerWaalsContact O-N 3.13Å; D349-S351 WeakPolarHBondContact OD1-CB 3.42Å; D349-S351 PolarHBondContact OD1-N 2.86Å; D349-S351 PolarHBondContact OD1-OG 2.98Å; D349-S351 PolarHBondContact OD2-OG 2.98Å; D349-H352 CarbonylContact O-C 3.52Å; D349-H352 PolarHBondContact O-N 3.18Å; D349-H352 IonicContact OD2-CE1 3.55Å; D349-H352 IonicContact OD2-CG 3.94Å; D349-H352 IonicContact OD2-ND1 3.67Å; D349-H352 PolarHBondContact OD2-ND1 3.15Å | ||
| 350 | P | 91.1 | Very high | 92.1 | Very high | 76 Ų | 76 | 71 Ų | 71 | 49% | 0.494 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.1 | 176.9 | -23.1 | 32.9 | 0 | 0 | 0 | 114.4 | Y65 Y348 | Y65-P350 HydrophobicContact CE2-CG 4.35Å; Y65-P350 WeakPolarHBondContact OH-CG 3.43Å; Y348-P350 HydrophobicContact CD1-CG 4.05Å; Y348-P350 HydrophobicContact CE1-CB 4.07Å; Y348-P350 HydrophobicContact CE1-CG 3.74Å |
| 351 | S | 93.4 | Very high | 91.9 | Very high | 82 Ų | 82 | 72.1 Ų | 72.1 | 57% | 0.573 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -19.8 | 176.9 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | D349 | D349-S351 PolarHBondContact O-N 2.79Å; D349-S351 VanDerWaalsContact O-N 3.13Å; D349-S351 WeakPolarHBondContact OD1-CB 3.42Å; D349-S351 PolarHBondContact OD1-N 2.86Å; D349-S351 PolarHBondContact OD1-OG 2.98Å; D349-S351 PolarHBondContact OD2-OG 2.98Å |
| 352 | H | 91.8 | Very high | 91.7 | Very high | 122 Ų | 122 | 72 Ų | 72 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -136.4 | 66.8 | 178.4 | -58.3 | 94.8 | 0 | 0 | 0 | 110.9 | D349 Q354 | D349-H352 CarbonylContact O-C 3.52Å; D349-H352 PolarHBondContact O-N 3.18Å; D349-H352 IonicContact OD2-CE1 3.55Å; D349-H352 IonicContact OD2-CG 3.94Å; D349-H352 IonicContact OD2-ND1 3.67Å; D349-H352 PolarHBondContact OD2-ND1 3.15Å; H352-Q354 PolarHBondContact O-N 2.87Å |
| 353 | P | 90 | Very high | 91.7 | Very high | 68 Ų | 68 | 73.1 Ų | 73.1 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | trans | -61.6 | 139.6 | -178.8 | 27 | -34.7 | 0 | 0 | 0 | 111.3 | Y348 P355 | Y348-P353 HydrophobicContact CE2-CB 4.04Å; P353-P355 VanDerWaalsContact C-CD 3.41Å; P353-P355 WeakPolarHBondContact O-CD 3.36Å | ||
| 354 | Q | 89.6 | Confident | 91.8 | Very high | 119 Ų | 119 | 66.1 Ų | 66.1 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | trans | -121 | 65.8 | -179.8 | -60.5 | -63.3 | -29.8 | 0 | 0 | 110.3 | E46 H352 H356 A357 | E46-Q354 VanDerWaalsContact CD-C 3.45Å; E46-Q354 WeakPolarHBondContact OE2-CA 3.31Å; E46-Q354 PolarHBondContact OE2-N 3.09Å; H352-Q354 PolarHBondContact O-N 2.87Å; Q354-H356 PolarHBondContact O-N 3.26Å; Q354-A357 HydrophobicContact CB-CB 3.91Å; Q354-A357 WeakPolarHBondContact O-CB 3.34Å; Q354-A357 PolarHBondContact O-N 3.1Å | ||
| 355 | P | 85.4 | Confident | 91.9 | Very high | 70 Ų | 70 | 67.4 Ų | 67.4 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.8 | -176.1 | 26.3 | -36.1 | 0 | 0 | 0 | 112.7 | E46 K50 P353 | E46-P355 WeakPolarHBondContact OE1-CA 3.49Å; K50-P355 WeakPolarHBondContact CE-O 3.47Å; K50-P355 PolarHBondContact NZ-O 2.71Å; P353-P355 VanDerWaalsContact C-CD 3.41Å; P353-P355 WeakPolarHBondContact O-CD 3.36Å |
| 356 | H | 86.2 | Confident | 92 | Very high | 169 Ų | 169 | 67.3 Ų | 67.3 | 78% | 0.782 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 3 | 177.1 | -58.4 | -59.3 | 0 | 0 | 0 | 114 | K50 Q354 | K50-H356 PolarHBondContact NZ-O 2.9Å; Q354-H356 PolarHBondContact O-N 3.26Å |
| 357 | A | 87.1 | Confident | 92.2 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 123.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | K50 Q354 | K50-A357 WeakPolarHBondContact CD-O 3.29Å; K50-A357 WeakPolarHBondContact CE-O 3.26Å; K50-A357 PolarHBondContact NZ-O 3.4Å; Q354-A357 HydrophobicContact CB-CB 3.91Å; Q354-A357 WeakPolarHBondContact O-CB 3.34Å; Q354-A357 PolarHBondContact O-N 3.1Å |
| 358 | P | 89.3 | Confident | 92.3 | Very high | 101 Ų | 101 | 63.5 Ų | 63.5 | 66% | 0.656 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 149.9 | 178.3 | 28.9 | -33.6 | 0 | 0 | 0 | 110.3 | S360 | P358-S360 PolarHBondContact O-N 3.23Š|
| 359 | P | 90.8 | Very high | 92.5 | Very high | 37 Ų | 37 | 65.9 Ų | 65.9 | 24% | 0.24 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -46.5 | 136.8 | 160.6 | -32.3 | 40.5 | 0 | 0 | 0 | 111.5 | K50 C51 P141 | K50-P359 HydrophobicContact CB-CG 4.04Å; C51-P359 VanDerWaalsContact SG-CB 3.55Å; P141-P359 HydrophobicContact CB-CB 3.74Å |
| 360 | S | 88.9 | Confident | 92.7 | Very high | 33 Ų | 33 | 63.1 Ų | 63.1 | 23% | 0.231 | 36% | 0.355 | C | S | . | . | trans | -114.8 | 141 | -179.8 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | N90 P358 N362 | N90-S360 PolarHBondContact ND2-O 3.12Å; P358-S360 PolarHBondContact O-N 3.23Å; S360-N362 WeakPolarHBondContact CB-ND2 3.44Å; S360-N362 PolarHBondContact OG-ND2 3.01Å | ||
| 361 | Y | 92.7 | Very high | 93 | Very high | 68 Ų | 68 | 59.9 Ų | 59.9 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | trans | -98.8 | 121.1 | 170.4 | 166.1 | -97 | 0 | 0 | 0 | 108.6 | Y380 C381 | Y361-Y380 HydrophobicContact CD2-CD1 4.29Å; Y361-Y380 AromaticContact CD2-CE1 3.67Å; Y361-Y380 HydrophobicContact CD2-CE1 3.67Å; Y361-Y380 AromaticContact CD2-CE2 3.93Å; Y361-Y380 HydrophobicContact CD2-CE2 3.93Å; Y361-Y380 AromaticContact CD2-CZ 3.47Å; Y361-Y380 VanDerWaalsContact CD2-CZ 3.47Å; Y361-Y380 AromaticContact CE2-CD1 3.92Å; Y361-Y380 HydrophobicContact CE2-CD1 3.92Å; Y361-Y380 HydrophobicContact CE2-CD2 4.22Å; Y361-Y380 AromaticContact CE2-CE1 3.78Å; Y361-Y380 HydrophobicContact CE2-CE1 3.78Å; Y361-Y380 HydrophobicContact CE2-CE2 4.07Å; Y361-Y380 HydrophobicContact CE2-CG 4.16Å; Y361-Y380 AromaticContact CE2-CZ 3.87Å; Y361-Y380 PolarHBondContact OH-O 3.23Å; Y361-C381 VanDerWaalsContact OH-CA 3.23Å; Y361-C381 WeakPolarHBondContact OH-CA 3.49Å; Y361-C381 PolarHBondContact OH-O 3.09Å | ||
| 362 | N | 93.3 | Very high | 93.1 | Very high | 46 Ų | 46 | 59.9 Ų | 59.9 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | trans | -140 | 143.5 | 178.8 | -56.8 | -83 | 0 | 0 | 0 | 110.1 | E94 V345 S360 Y380 | E94-N362 WeakPolarHBondContact CG-O 3.41Å; V345-N362 WeakPolarHBondContact CG1-ND2 3.27Å; S360-N362 WeakPolarHBondContact CB-ND2 3.44Å; S360-N362 PolarHBondContact OG-ND2 3.01Å; N362-Y380 VanDerWaalsContact O-CE1 3.3Å; N362-Y380 WeakPolarHBondContact O-CE1 3.34Å | ||
| 363 | T | 94.4 | Very high | 93.3 | Very high | 62 Ų | 62 | 60 Ų | 60 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | trans | -85.5 | 148.2 | 168.3 | 52.5 | 0 | 0 | 0 | 0 | 110.2 | C381 | T363-C381 HydrophobicContact CG2-CB 4.06Š| ||
| 364 | N | 97.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | trans | -98.9 | 129.3 | 175.8 | -157.5 | -70.1 | 0 | 0 | 0 | 111.5 | E94 L95 T344 Q366 T367 T368 | E94-N364 HydrophobicContact CB-CB 3.8Å; E94-N364 VanDerWaalsContact O-CB 3.26Å; E94-N364 WeakPolarHBondContact O-CB 3.4Å; L95-N364 HydrophobicContact CD2-CB 3.9Å; L95-N364 HydrophobicContact CG-CB 4.48Å; T344-N364 HydrophobicContact CG2-CB 4.42Å; N364-Q366 PolarHBondContact O-N 2.86Å; N364-Q366 VanDerWaalsContact OD1-CB 3.31Å; N364-Q366 WeakPolarHBondContact OD1-CB 3.35Å; N364-Q366 WeakPolarHBondContact OD1-CG 3.39Å; N364-Q366 PolarHBondContact OD1-N 2.99Å; N364-Q366 PolarHBondContact OD1-NE2 2.87Å; N364-T367 PolarHBondContact O-N 2.98Å; N364-T367 VanDerWaalsContact O-N 3.15Å; N364-T368 PolarHBondContact O-N 3.34Å; N364-T368 PolarHBondContact O-OG1 3.16Å; N364-T368 VanDerWaalsContact O-OG1 3.14Å | ||
| 365 | P | 97.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -53.8 | -36.8 | 175.5 | -27.3 | 35.4 | 0 | 0 | 0 | 113.7 | T367 T368 E369 | P365-T367 PolarHBondContact O-N 3.04Å; P365-T368 PolarHBondContact O-N 3.24Å; P365-E369 WeakPolarHBondContact O-CB 3.09Å; P365-E369 VanDerWaalsContact O-CG 3.29Å; P365-E369 WeakPolarHBondContact O-CG 3.39Å; P365-E369 PolarHBondContact O-N 3.47Å |
| 366 | Q | 97.9 | Very high | 94.5 | Very high | 12 Ų | 12 | 51.1 Ų | 51.1 | 6% | 0.056 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 178.5 | -62.1 | 176.1 | 76.4 | 0 | 0 | 111.6 | L95 W100 N340 N364 L370 | L95-Q366 HydrophobicContact CD2-CB 4.13Å; W100-Q366 PolarHBondContact O-NE2 2.62Å; N340-Q366 WeakPolarHBondContact OD1-CG 3.39Å; N340-Q366 PolarHBondContact OD1-OE1 3.28Å; N364-Q366 PolarHBondContact O-N 2.86Å; N364-Q366 VanDerWaalsContact OD1-CB 3.31Å; N364-Q366 WeakPolarHBondContact OD1-CB 3.35Å; N364-Q366 WeakPolarHBondContact OD1-CG 3.39Å; N364-Q366 PolarHBondContact OD1-N 2.99Å; N364-Q366 PolarHBondContact OD1-NE2 2.87Å; Q366-L370 VanDerWaalsContact O-CB 3.26Å; Q366-L370 WeakPolarHBondContact O-CB 3.34Å; Q366-L370 PolarHBondContact O-N 3.07Å |
| 367 | T | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 111 | E94 P96 Y97 N364 P365 E369 L370 C371 | E94-T367 WeakPolarHBondContact O-CB 3.43Å; E94-T367 PolarHBondContact O-OG1 3.23Å; P96-T367 HydrophobicContact CG-CG2 4.09Å; Y97-T367 HydrophobicContact CD2-CG2 4.27Å; N364-T367 PolarHBondContact O-N 2.98Å; N364-T367 VanDerWaalsContact O-N 3.15Å; P365-T367 PolarHBondContact O-N 3.04Å; T367-E369 PolarHBondContact O-N 3.42Å; T367-L370 PolarHBondContact O-N 3.08Å; T367-C371 VanDerWaalsContact O-CB 3.31Å; T367-C371 WeakPolarHBondContact O-CB 3.3Å; T367-C371 PolarHBondContact O-N 2.73Å; T367-C371 PolarHBondContact O-SG 2.85Å |
| 368 | T | 97.2 | Very high | 95.4 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | -179.4 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | N364 P365 C371 A372 | N364-T368 PolarHBondContact O-N 3.34Å; N364-T368 PolarHBondContact O-OG1 3.16Å; N364-T368 VanDerWaalsContact O-OG1 3.14Å; P365-T368 PolarHBondContact O-N 3.24Å; T368-C371 PolarHBondContact O-N 3.38Å; T368-A372 WeakPolarHBondContact O-CB 3.4Å; T368-A372 PolarHBondContact O-N 3.28Å |
| 369 | E | 96.9 | Very high | 95.6 | Very high | 99 Ų | 99 | 40.4 Ų | 40.4 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.7 | -44.1 | 177.4 | -72.9 | 174.9 | -169.9 | 0 | 0 | 112 | P365 T367 C371 A372 K373 | P365-E369 WeakPolarHBondContact O-CB 3.09Å; P365-E369 VanDerWaalsContact O-CG 3.29Å; P365-E369 WeakPolarHBondContact O-CG 3.39Å; P365-E369 PolarHBondContact O-N 3.47Å; T367-E369 PolarHBondContact O-N 3.42Å; E369-C371 VanDerWaalsContact C-N 3.35Å; E369-C371 PolarHBondContact O-N 3.13Å; E369-A372 PolarHBondContact O-N 3.13Å; E369-K373 WeakPolarHBondContact O-CG 3.47Å; E369-K373 PolarHBondContact O-N 3.27Å |
| 370 | L | 97.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 177.3 | -177.3 | 68 | 0 | 0 | 0 | 111.3 | F286 Q366 T367 A372 K373 L374 | F286-L370 HydrophobicContact CE2-CD1 3.83Å; F286-L370 HydrophobicContact CZ-CD1 3.98Å; F286-L370 HydrophobicContact CZ-CD2 4.09Å; Q366-L370 VanDerWaalsContact O-CB 3.26Å; Q366-L370 WeakPolarHBondContact O-CB 3.34Å; Q366-L370 PolarHBondContact O-N 3.07Å; T367-L370 PolarHBondContact O-N 3.08Å; L370-A372 VanDerWaalsContact C-N 3.34Å; L370-A372 PolarHBondContact O-N 3.39Å; L370-K373 PolarHBondContact O-N 2.88Å; L370-L374 HydrophobicContact CD1-CD1 3.61Å; L370-L374 HydrophobicContact CD1-CG 4.34Å; L370-L374 HydrophobicContact CG-CD1 4.13Å; L370-L374 PolarHBondContact O-N 3.49Å |
| 371 | C | 97.6 | Very high | 96 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -42.3 | 177.4 | -69.8 | 0 | 0 | 0 | 0 | 111.6 | Y97 T367 T368 E369 G375 L376 | Y97-C371 VanDerWaalsContact CE2-SG 3.55Å; T367-C371 VanDerWaalsContact O-CB 3.31Å; T367-C371 WeakPolarHBondContact O-CB 3.3Å; T367-C371 PolarHBondContact O-N 2.73Å; T367-C371 PolarHBondContact O-SG 2.85Å; T368-C371 PolarHBondContact O-N 3.38Å; E369-C371 VanDerWaalsContact C-N 3.35Å; E369-C371 PolarHBondContact O-N 3.13Å; C371-G375 CarbonylContact O-C 3.55Å; C371-G375 WeakPolarHBondContact O-CA 3.28Å; C371-G375 PolarHBondContact O-N 3.18Å; C371-L376 HydrophobicContact CB-CB 4.33Å; C371-L376 WeakPolarHBondContact CB-O 3.21Å; C371-L376 PolarHBondContact O-N 3.02Å |
| 372 | A | 96.6 | Very high | 96 | Very high | 82 Ų | 82 | 38.8 Ų | 38.8 | 68% | 0.678 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -63.2 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T368 E369 L370 | T368-A372 WeakPolarHBondContact O-CB 3.4Å; T368-A372 PolarHBondContact O-N 3.28Å; E369-A372 PolarHBondContact O-N 3.13Å; L370-A372 VanDerWaalsContact C-N 3.34Å; L370-A372 PolarHBondContact O-N 3.39Å |
| 373 | K | 95.7 | Very high | 95.9 | Very high | 124 Ų | 124 | 36.9 Ų | 36.9 | 54% | 0.539 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66 | -43.7 | 178.9 | -74.7 | 179.6 | 179.8 | -178 | 0 | 112.8 | E369 L370 | E369-K373 WeakPolarHBondContact O-CG 3.47Å; E369-K373 PolarHBondContact O-N 3.27Å; L370-K373 PolarHBondContact O-N 2.88Å |
| 374 | L | 96.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -96 | -5.6 | -172.9 | -65.5 | 175.7 | 0 | 0 | 0 | 114.1 | F286 K290 V327 D330 L331 L370 L376 | F286-L374 HydrophobicContact CB-CD1 4.41Å; F286-L374 HydrophobicContact CD2-CD1 3.42Å; F286-L374 VanDerWaalsContact CD2-CD1 3.42Å; F286-L374 HydrophobicContact CE2-CD1 3.66Å; F286-L374 HydrophobicContact CG-CD1 3.94Å; F286-L374 HydrophobicContact CZ-CD1 4.36Å; K290-L374 HydrophobicContact CD-CB 4.41Å; K290-L374 HydrophobicContact CD-CD2 4.44Å; K290-L374 WeakPolarHBondContact CD-O 3.39Å; K290-L374 WeakPolarHBondContact CE-O 3.32Å; K290-L374 PolarHBondContact NZ-O 3.17Å; V327-L374 HydrophobicContact CG1-CD2 4.47Å; D330-L374 HydrophobicContact CB-CD2 3.92Å; L331-L374 HydrophobicContact CD2-CD2 4.2Å; L331-L374 HydrophobicContact CG-CD2 4.23Å; L370-L374 HydrophobicContact CD1-CD1 3.61Å; L370-L374 HydrophobicContact CD1-CG 4.34Å; L370-L374 HydrophobicContact CG-CD1 4.13Å; L370-L374 PolarHBondContact O-N 3.49Å; L374-L376 HydrophobicContact CB-CD1 4.02Å; L374-L376 HydrophobicContact CB-CG 3.82Å; L374-L376 HydrophobicContact CD1-CD1 4.06Å |
| 375 | G | 96.3 | Very high | 94.8 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 56% | 0.557 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 33.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | N293 C371 | N293-G375 PolarHBondContact ND2-O 3.2Å; C371-G375 CarbonylContact O-C 3.55Å; C371-G375 WeakPolarHBondContact O-CA 3.28Å; C371-G375 PolarHBondContact O-N 3.18Å |
| 376 | L | 97.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | trans | -89.5 | 159.4 | 178.2 | -57.7 | 174.2 | 0 | 0 | 0 | 111.4 | Y97 L289 K290 N293 C371 L374 | Y97-L376 HydrophobicContact CE1-CD1 4.44Å; Y97-L376 HydrophobicContact CE2-CB 4.4Å; L289-L376 HydrophobicContact CB-CD1 4.37Å; L289-L376 HydrophobicContact CB-CD2 4.05Å; L289-L376 HydrophobicContact CD1-CD1 4.31Å; K290-L376 HydrophobicContact CG-CD2 3.91Å; N293-L376 HydrophobicContact CB-CD2 4.29Å; C371-L376 HydrophobicContact CB-CB 4.33Å; C371-L376 WeakPolarHBondContact CB-O 3.21Å; C371-L376 PolarHBondContact O-N 3.02Å; L374-L376 HydrophobicContact CB-CD1 4.02Å; L374-L376 HydrophobicContact CB-CG 3.82Å; L374-L376 HydrophobicContact CD1-CD1 4.06Å | ||
| 377 | T | 96.3 | Very high | 91.9 | Very high | 36 Ų | 36 | 43.3 Ų | 43.3 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | trans | -84 | 127.9 | 172.2 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | Y97 N293 V379 K382 | Y97-T377 WeakPolarHBondContact CE2-O 3.36Å; Y97-T377 PolarHBondContact OH-O 2.62Å; N293-T377 WeakPolarHBondContact OD1-CB 3.17Å; N293-T377 PolarHBondContact OD1-N 3.44Å; N293-T377 PolarHBondContact OD1-OG1 3.25Å; T377-V379 PolarHBondContact O-N 2.98Å; T377-V379 VanDerWaalsContact O-N 3.12Å; T377-K382 HydrophobicContact CG2-CB 4.47Å; T377-K382 HydrophobicContact CG2-CD 3.71Å | ||
| 378 | D | 95.9 | Very high | 90.1 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | trans | -74.7 | 101.6 | 165.9 | -173.4 | -29.5 | 0 | 0 | 0 | 108.9 | Y380 C381 K382 | D378-Y380 PolarHBondContact O-N 3.17Å; D378-Y380 PolarHBondContact OD1-N 2.86Å; D378-C381 HydrophobicContact CB-CB 3.67Å; D378-C381 PolarHBondContact O-N 3.3Å; D378-C381 WeakPolarHBondContact OD1-CB 3.34Å; D378-C381 PolarHBondContact OD1-N 3.43Å; D378-K382 WeakPolarHBondContact O-CB 3.24Å; D378-K382 PolarHBondContact O-N 3.34Å | ||
| 379 | V | 94.2 | Very high | 88.1 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | -175 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | H137 T298 T377 K382 V383 | H137-V379 HydrophobicContact CB-CG1 4.03Å; T298-V379 HydrophobicContact CG2-CG1 4.15Å; T377-V379 PolarHBondContact O-N 2.98Å; T377-V379 VanDerWaalsContact O-N 3.12Å; V379-K382 PolarHBondContact O-N 3.08Å; V379-V383 VanDerWaalsContact O-CG2 3.29Å; V379-V383 WeakPolarHBondContact O-CG2 3.48Å; V379-V383 PolarHBondContact O-N 2.95Å |
| 380 | Y | 94.3 | Very high | 86 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.6 | -39.7 | -175.2 | -170.3 | -131.5 | 0 | 0 | 0 | 111.1 | Q93 E94 F140 P141 Y361 N362 D378 K382 V383 G384 | Q93-Y380 HydrophobicContact CB-CD1 4.3Å; Q93-Y380 HydrophobicContact CB-CD2 3.64Å; Q93-Y380 HydrophobicContact CB-CE1 4.27Å; Q93-Y380 HydrophobicContact CB-CE2 3.63Å; Q93-Y380 HydrophobicContact CB-CG 3.98Å; Q93-Y380 HydrophobicContact CG-CD2 4.43Å; Q93-Y380 HydrophobicContact CG-CE2 4.31Å; Q93-Y380 WeakPolarHBondContact O-CB 3.21Å; E94-Y380 HydrophobicContact CG-CD1 4.45Å; E94-Y380 HydrophobicContact CG-CE1 4.06Å; F140-Y380 HydrophobicContact CB-CE2 4.11Å; P141-Y380 WeakPolarHBondContact CD-OH 3.5Å; Y361-Y380 HydrophobicContact CD2-CD1 4.29Å; Y361-Y380 AromaticContact CD2-CE1 3.67Å; Y361-Y380 HydrophobicContact CD2-CE1 3.67Å; Y361-Y380 AromaticContact CD2-CE2 3.93Å; Y361-Y380 HydrophobicContact CD2-CE2 3.93Å; Y361-Y380 AromaticContact CD2-CZ 3.47Å; Y361-Y380 VanDerWaalsContact CD2-CZ 3.47Å; Y361-Y380 AromaticContact CE2-CD1 3.92Å; Y361-Y380 HydrophobicContact CE2-CD1 3.92Å; Y361-Y380 HydrophobicContact CE2-CD2 4.22Å; Y361-Y380 AromaticContact CE2-CE1 3.78Å; Y361-Y380 HydrophobicContact CE2-CE1 3.78Å; Y361-Y380 HydrophobicContact CE2-CE2 4.07Å; Y361-Y380 HydrophobicContact CE2-CG 4.16Å; Y361-Y380 AromaticContact CE2-CZ 3.87Å; Y361-Y380 PolarHBondContact OH-O 3.23Å; N362-Y380 VanDerWaalsContact O-CE1 3.3Å; N362-Y380 WeakPolarHBondContact O-CE1 3.34Å; D378-Y380 PolarHBondContact O-N 3.17Å; D378-Y380 PolarHBondContact OD1-N 2.86Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 2.73Å; Y380-V383 PolarHBondContact O-N 2.58Å; Y380-G384 PolarHBondContact O-N 3.48Å |
| 381 | C | 93.5 | Very high | 83.7 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.3 | -46.6 | 172.9 | -170.1 | 0 | 0 | 0 | 0 | 112.1 | Y361 T363 D378 V383 G384 Q385 | Y361-C381 VanDerWaalsContact OH-CA 3.23Å; Y361-C381 WeakPolarHBondContact OH-CA 3.49Å; Y361-C381 PolarHBondContact OH-O 3.09Å; T363-C381 HydrophobicContact CG2-CB 4.06Å; D378-C381 HydrophobicContact CB-CB 3.67Å; D378-C381 PolarHBondContact O-N 3.3Å; D378-C381 WeakPolarHBondContact OD1-CB 3.34Å; D378-C381 PolarHBondContact OD1-N 3.43Å; C381-V383 PolarHBondContact O-N 2.85Å; C381-G384 PolarHBondContact O-N 3.39Å; C381-Q385 WeakPolarHBondContact O-CG 3.44Å; C381-Q385 PolarHBondContact O-N 3.46Å; C381-Q385 VanDerWaalsContact O-N 3.11Å |
| 382 | K | 92.1 | Very high | 81.1 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.3 | -34.7 | -179.8 | -176.3 | 174 | 176.7 | -177.3 | 0 | 113 | T298 T377 D378 V379 Y380 | T298-K382 HydrophobicContact CG2-CD 3.96Å; T298-K382 HydrophobicContact CG2-CG 4.29Å; T377-K382 HydrophobicContact CG2-CB 4.47Å; T377-K382 HydrophobicContact CG2-CD 3.71Å; D378-K382 WeakPolarHBondContact O-CB 3.24Å; D378-K382 PolarHBondContact O-N 3.34Å; V379-K382 PolarHBondContact O-N 3.08Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 2.73Å |
| 383 | V | 90.7 | Very high | 78.3 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67 | -49.7 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | H137 H138 F140 T298 V379 Y380 C381 Q385 R386 G387 | H137-V383 WeakPolarHBondContact O-CG2 3.33Å; H138-V383 VanDerWaalsContact O-CG1 3.31Å; H138-V383 WeakPolarHBondContact O-CG1 3.26Å; F140-V383 HydrophobicContact CB-CG1 3.93Å; F140-V383 HydrophobicContact CD1-CG1 3.53Å; F140-V383 HydrophobicContact CE1-CG1 4.45Å; F140-V383 HydrophobicContact CG-CG1 4.04Å; T298-V383 HydrophobicContact CG2-CG2 4.17Å; V379-V383 VanDerWaalsContact O-CG2 3.29Å; V379-V383 WeakPolarHBondContact O-CG2 3.48Å; V379-V383 PolarHBondContact O-N 2.95Å; Y380-V383 PolarHBondContact O-N 2.58Å; C381-V383 PolarHBondContact O-N 2.85Å; V383-Q385 PolarHBondContact O-N 2.7Å; V383-R386 PolarHBondContact O-N 3.31Å; V383-G387 PolarHBondContact O-N 3.43Å |
| 384 | G | 86.2 | Confident | 75.6 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -40.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y380 C381 R386 G387 D388 | Y380-G384 PolarHBondContact O-N 3.48Å; C381-G384 PolarHBondContact O-N 3.39Å; G384-R386 VanDerWaalsContact C-N 3.32Å; G384-R386 PolarHBondContact O-N 3.16Å; G384-G387 WeakPolarHBondContact O-CA 3.42Å; G384-G387 PolarHBondContact O-N 2.67Å; G384-G387 VanDerWaalsContact O-N 3.08Å; G384-D388 PolarHBondContact O-N 3.49Å |
| 385 | Q | 83.3 | Confident | 72.8 | Confident | 113 Ų | 113 | 65.8 Ų | 65.8 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 176.2 | -73.4 | 174.1 | -3.7 | 0 | 0 | 113 | C381 V383 G387 D388 D389 | C381-Q385 WeakPolarHBondContact O-CG 3.44Å; C381-Q385 PolarHBondContact O-N 3.46Å; C381-Q385 VanDerWaalsContact O-N 3.11Å; V383-Q385 PolarHBondContact O-N 2.7Å; Q385-G387 VanDerWaalsContact C-N 3.33Å; Q385-D388 PolarHBondContact O-N 3.35Å; Q385-D389 PolarHBondContact O-N 2.64Å; Q385-D389 VanDerWaalsContact O-N 3.16Å |
| 386 | R | 72.4 | Confident | 70.1 | Confident | 138 Ų | 138 | 67 Ų | 67 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.4 | -34.8 | 175.5 | -76.6 | -176.5 | 173.6 | -143.7 | -1.4 | 112.5 | V383 G384 A390 | V383-R386 PolarHBondContact O-N 3.31Å; G384-R386 VanDerWaalsContact C-N 3.32Å; G384-R386 PolarHBondContact O-N 3.16Å; R386-A390 WeakPolarHBondContact O-CB 3.33Å; R386-A390 PolarHBondContact O-N 3.41Å |
| 387 | G | 62.3 | Low | 67.1 | Low | 16 Ų | 16 | 75.4 Ų | 75.4 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V383 G384 Q385 A390 G391 | V383-G387 PolarHBondContact O-N 3.43Å; G384-G387 WeakPolarHBondContact O-CA 3.42Å; G384-G387 PolarHBondContact O-N 2.67Å; G384-G387 VanDerWaalsContact O-N 3.08Å; Q385-G387 VanDerWaalsContact C-N 3.33Å; G387-A390 PolarHBondContact O-N 2.74Å; G387-G391 PolarHBondContact O-N 3.01Å |
| 388 | D | 60.9 | Low | 64.1 | Low | 111 Ų | 111 | 81.5 Ų | 81.5 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 178.5 | -74.8 | -17.9 | 0 | 0 | 0 | 112.2 | G384 Q385 G391 R392 | G384-D388 PolarHBondContact O-N 3.49Å; Q385-D388 PolarHBondContact O-N 3.35Å; D388-G391 PolarHBondContact O-N 3.11Å; D388-R392 WeakPolarHBondContact O-CB 3.25Å; D388-R392 PolarHBondContact O-N 3.36Å |
| 389 | D | 54.5 | Low | 61.4 | Low | 113 Ų | 113 | 89.2 Ų | 89.2 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.8 | -39.2 | 177.5 | -78.3 | -22.7 | 0 | 0 | 0 | 112.5 | Q385 S393 | Q385-D389 PolarHBondContact O-N 2.64Å; Q385-D389 VanDerWaalsContact O-N 3.16Å; D389-S393 PolarHBondContact O-N 2.65Å; D389-S393 VanDerWaalsContact O-N 3.11Å |
| 390 | A | 53 | Low | 58.4 | Low | 48 Ų | 48 | 94.1 Ų | 94.1 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | R386 G387 R392 S393 Q394 | R386-A390 WeakPolarHBondContact O-CB 3.33Å; R386-A390 PolarHBondContact O-N 3.41Å; G387-A390 PolarHBondContact O-N 2.74Å; A390-R392 VanDerWaalsContact C-N 3.32Å; A390-R392 PolarHBondContact O-N 3.49Å; A390-S393 PolarHBondContact O-N 3.13Å; A390-Q394 WeakPolarHBondContact O-CB 3.34Å; A390-Q394 WeakPolarHBondContact O-CG 3.39Å; A390-Q394 PolarHBondContact O-N 2.98Å |
| 391 | G | 49 | Very low | 55.5 | Low | 41 Ų | 41 | 102.5 Ų | 102.5 | 42% | 0.423 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.7 | -35.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G387 D388 S395 | G387-G391 PolarHBondContact O-N 3.01Å; D388-G391 PolarHBondContact O-N 3.11Å; G391-S395 PolarHBondContact O-N 3.01Å |
| 392 | R | 42.9 | Very low | 52.7 | Low | 207 Ų | 207 | 109 Ų | 109 | 78% | 0.781 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.8 | -35.7 | 175.3 | -149.1 | 171.3 | -171.7 | 176.4 | 2.8 | 112.2 | D388 A390 S395 | D388-R392 WeakPolarHBondContact O-CB 3.25Å; D388-R392 PolarHBondContact O-N 3.36Å; A390-R392 VanDerWaalsContact C-N 3.32Å; A390-R392 PolarHBondContact O-N 3.49Å; R392-S395 PolarHBondContact O-OG 3.01Å |
| 393 | S | 37.7 | Very low | 49.7 | Very low | 92 Ų | 92 | 114.5 Ų | 114.5 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80 | -24.3 | 178.4 | -156.7 | 0 | 0 | 0 | 0 | 114.1 | D389 A390 S395 | D389-S393 PolarHBondContact O-N 2.65Å; D389-S393 VanDerWaalsContact O-N 3.11Å; A390-S393 PolarHBondContact O-N 3.13Å; S393-S395 VanDerWaalsContact C-N 3.35Å |
| 394 | Q | 39.4 | Very low | 47 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 71% | 0.71 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.3 | -17.6 | 174.9 | -77.7 | 178 | -6.2 | 0 | 0 | 113.4 | A390 A396 | A390-Q394 WeakPolarHBondContact O-CB 3.34Å; A390-Q394 WeakPolarHBondContact O-CG 3.39Å; A390-Q394 PolarHBondContact O-N 2.98Å; Q394-A396 PolarHBondContact O-N 3.41Å |
| 395 | S | 36.2 | Very low | 44.6 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 0.2 | 173.1 | 70.9 | 0 | 0 | 0 | 0 | 115 | G391 R392 S393 | G391-S395 PolarHBondContact O-N 3.01Å; R392-S395 PolarHBondContact O-OG 3.01Å; S393-S395 VanDerWaalsContact C-N 3.35Å |
| 396 | A | 40 | Very low | 42.1 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 0.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q394 | Q394-A396 PolarHBondContact O-N 3.41Š|
| 397 | K | 33.5 | Very low | 40.3 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -148 | 83 | 177.1 | -70.7 | -170.6 | 179.8 | -180 | 0 | 110.9 | ||||
| 398 | D | 33.8 | Very low | 38.9 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | trans | -86.8 | 152.9 | 155.9 | -155.3 | -2.5 | 0 | 0 | 0 | 108.7 | ||||
| 399 | E | 39 | Very low | 37.8 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | 90.5 | 88.7 | -173.1 | -54.1 | -165.3 | 176.3 | 0 | 0 | 117.5 | ||||
| 400 | S | 32 | Very low | 36.5 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | -164.6 | 111.3 | 128.8 | 65.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 401 | L | 33.3 | Very low | 35.7 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | trans | 34.5 | 110.9 | 138.2 | -71.6 | 152.5 | 0 | 0 | 0 | 120.2 | ||||
| 402 | D | 34.5 | Very low | 34.9 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 136 | 167.4 | -71.2 | -50.6 | 0 | 0 | 0 | 113.5 | ||
| 403 | E | 30 | Very low | 34.2 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 141 | 155.9 | -103 | -162.1 | 154.5 | 0 | 0 | 109.7 | ||
| 404 | P | 33.9 | Very low | 33.8 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 125.2 | -173.1 | 10.8 | 5.6 | 0 | 0 | 0 | 111.5 | ||
| 405 | S | 34.8 | Very low | 33.5 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 128.9 | 164.8 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | Y407 | S405-Y407 PolarHBondContact O-N 2.96Å; S405-Y407 VanDerWaalsContact O-N 3.1Å |
| 406 | E | 31.8 | Very low | 33.3 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -69.4 | 100 | 175.5 | -66.7 | -179.1 | 161.5 | 0 | 0 | 111.5 | ||||
| 407 | Y | 33.3 | Very low | 33.4 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 73% | 0.729 | 81% | 0.808 | S | S | * | * | trans | -116.4 | 131.7 | 156.2 | -74.8 | -85.5 | 0 | 0 | 0 | 108 | S405 T409 | S405-Y407 PolarHBondContact O-N 2.96Å; S405-Y407 VanDerWaalsContact O-N 3.1Å; Y407-T409 PolarHBondContact O-N 3.44Å | ||
| 408 | P | 32.9 | Very low | 34.1 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -70.5 | 104.8 | 169.3 | -7.2 | 22.7 | 0 | 0 | 0 | 108.6 | D410 | P408-D410 PolarHBondContact O-N 2.92Š| ||
| 409 | T | 37.4 | Very low | 35.6 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -79 | 103 | 170.9 | -47.5 | 0 | 0 | 0 | 0 | 108.7 | Y407 T411 | Y407-T409 PolarHBondContact O-N 3.44Å; T409-T411 HydrophobicContact CG2-CG2 3.97Å | ||
| 410 | D | 27.1 | Very low | 36.9 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | trans | -121.1 | 87.4 | 158.1 | -140.9 | -4.1 | 0 | 0 | 0 | 107.7 | P408 | P408-D410 PolarHBondContact O-N 2.92Š| ||
| 411 | T | 37.4 | Very low | 39 | Very low | 124 Ų | 124 | 121 Ų | 121 | 76% | 0.761 | 70% | 0.7 | S | S | * | * | trans | -99 | 99.5 | 177.6 | 47.7 | 0 | 0 | 0 | 0 | 109.7 | T409 | T409-T411 HydrophobicContact CG2-CG2 3.97Š| ||
| 412 | S | 32 | Very low | 40.9 | Very low | 117 Ų | 117 | 115.4 Ų | 115.4 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -146.3 | 95 | 151.3 | 65.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 413 | G | 28.3 | Very low | 42.2 | Very low | 72 Ų | 72 | 109.3 Ų | 109.3 | 74% | 0.742 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 151.4 | 96.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 414 | L | 29.6 | Very low | 43 | Very low | 170 Ų | 170 | 104 Ų | 104 | 89% | 0.89 | 62% | 0.616 | S | S | * | * | trans | 36.2 | 101.9 | 156.5 | -62.5 | 164.7 | 0 | 0 | 0 | 116.6 | S416 | L414-S416 PolarHBondContact O-N 3.17Š| ||
| 415 | S | 32.2 | Very low | 43.7 | Very low | 129 Ų | 129 | 100 Ų | 100 | 90% | 0.902 | 59% | 0.588 | S | S | * | * | trans | -56.3 | 96.3 | 168.6 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 416 | S | 31.9 | Very low | 44 | Very low | 100 Ų | 100 | 103.1 Ų | 103.1 | 70% | 0.699 | 59% | 0.592 | S | S | * | * | trans | -80.5 | 117.6 | 165.4 | 51.8 | 0 | 0 | 0 | 0 | 107.6 | L414 F418 | L414-S416 PolarHBondContact O-N 3.17Å; S416-F418 PolarHBondContact O-N 3.46Å | ||
| 417 | S | 43.2 | Very low | 44.6 | Very low | 85 Ų | 85 | 100.1 Ų | 100.1 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | trans | -72.4 | 61 | 174.2 | 41.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 418 | F | 48.5 | Very low | 45 | Very low | 118 Ų | 118 | 98.5 Ų | 98.5 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | trans | -75.4 | 122.2 | -176.8 | -173.2 | -98.8 | 0 | 0 | 0 | 110.5 | S416 P420 T424 | S416-F418 PolarHBondContact O-N 3.46Å; F418-P420 HydrophobicContact CD1-CB 4.49Å; F418-P420 HydrophobicContact CE1-CB 4.3Å; F418-T424 HydrophobicContact CD2-CG2 4.24Å; F418-T424 HydrophobicContact CE2-CG2 3.52Å; F418-T424 HydrophobicContact CZ-CG2 4.31Å | ||
| 419 | N | 63.6 | Low | 45.1 | Very low | 7 Ų | 7 | 101.3 Ų | 101.3 | 4% | 0.037 | 58% | 0.575 | C | S | . | * | trans | -86.5 | 113.1 | 167.1 | -177.9 | 14.2 | 0 | 0 | 0 | 108.4 | A53 R149 D421 E422 | A53-N419 PolarHBondContact O-ND2 2.92Å; R149-N419 PolarHBondContact NE-OD1 2.74Å; N419-D421 PolarHBondContact O-N 2.87Å; N419-D421 VanDerWaalsContact O-N 3.16Å; N419-D421 PolarHBondContact OD1-N 2.98Å; N419-E422 HydrophobicContact CB-CB 3.85Å; N419-E422 WeakPolarHBondContact O-CB 3.37Å; N419-E422 PolarHBondContact O-N 3.24Å | ||
| 420 | P | 67.9 | Low | 45 | Very low | 71 Ų | 71 | 104.2 Ų | 104.2 | 46% | 0.461 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | -11.2 | -178.1 | 31.5 | -37.1 | 0 | 0 | 0 | 113.7 | R149 F418 | R149-P420 VanDerWaalsContact NH2-CD 3.34Å; F418-P420 HydrophobicContact CD1-CB 4.49Å; F418-P420 HydrophobicContact CE1-CB 4.3Å |
| 421 | D | 75.6 | Confident | 45.2 | Very low | 13 Ų | 13 | 104.8 Ų | 104.8 | 7% | 0.07 | 58% | 0.578 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | -6.9 | 174.6 | -56 | -31.1 | 0 | 0 | 0 | 112.1 | I127 K129 Y152 H153 N419 | I127-D421 HydrophobicContact CD1-CB 3.91Å; K129-D421 WeakPolarHBondContact CE-OD1 3.47Å; K129-D421 IonicContact NZ-OD1 2.64Å; K129-D421 PolarHBondContact NZ-OD1 3.39Å; Y152-D421 PolarHBondContact OH-OD2 3.32Å; H153-D421 IonicContact NE2-OD2 3.35Å; H153-D421 PolarHBondContact NE2-OD2 3.45Å; N419-D421 PolarHBondContact O-N 2.87Å; N419-D421 VanDerWaalsContact O-N 3.16Å; N419-D421 PolarHBondContact OD1-N 2.98Å |
| 422 | E | 72.8 | Confident | 44.9 | Very low | 58 Ų | 58 | 107.5 Ų | 107.5 | 27% | 0.271 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -83.7 | 126.2 | 173.7 | -175 | 175.8 | -174.8 | 0 | 0 | 109.3 | N419 T424 | N419-E422 HydrophobicContact CB-CB 3.85Å; N419-E422 WeakPolarHBondContact O-CB 3.37Å; N419-E422 PolarHBondContact O-N 3.24Å; E422-T424 PolarHBondContact O-N 2.68Å; E422-T424 VanDerWaalsContact O-N 3.11Å |
| 423 | I | 61.3 | Low | 44.8 | Very low | 40 Ų | 40 | 110.3 Ų | 110.3 | 21% | 0.205 | 58% | 0.582 | C | S | . | * | trans | -76.1 | 103.4 | 169.9 | -51.2 | 178.2 | 0 | 0 | 0 | 106.8 | F196 H227 L228 I425 | F196-I423 HydrophobicContact CE2-CG2 3.67Å; F196-I423 HydrophobicContact CZ-CG2 3.95Å; H227-I423 WeakPolarHBondContact O-CD1 3.49Å; L228-I423 HydrophobicContact CD2-CD1 3.5Å; L228-I423 VanDerWaalsContact CD2-CD1 3.5Å; I423-I425 VanDerWaalsContact C-N 3.26Å; I423-I425 HydrophobicContact CB-CG1 4.23Å; I423-I425 HydrophobicContact CG2-CD1 3.87Å; I423-I425 HydrophobicContact CG2-CG1 3.48Å; I423-I425 VanDerWaalsContact CG2-CG1 3.48Å; I423-I425 PolarHBondContact O-N 3.47Å | ||
| 424 | T | 47.6 | Very low | 45 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 47% | 0.472 | 59% | 0.587 | S | S | . | * | trans | -70.3 | 86.3 | 171.4 | 52.1 | 0 | 0 | 0 | 0 | 109.3 | F418 E422 E426 | F418-T424 HydrophobicContact CD2-CG2 4.24Å; F418-T424 HydrophobicContact CE2-CG2 3.52Å; F418-T424 HydrophobicContact CZ-CG2 4.31Å; E422-T424 PolarHBondContact O-N 2.68Å; E422-T424 VanDerWaalsContact O-N 3.11Å; T424-E426 VanDerWaalsContact C-N 3.34Å; T424-E426 PolarHBondContact O-N 3.22Å | ||
| 425 | I | 48.7 | Very low | 45.2 | Very low | 40 Ų | 40 | 116.9 Ų | 116.9 | 21% | 0.205 | 59% | 0.589 | C | S | . | * | trans | -91.7 | 83.3 | 167.3 | -46.4 | -174.2 | 0 | 0 | 0 | 104.9 | K194 F196 H229 I423 D427 | K194-I425 HydrophobicContact CD-CD1 4.36Å; K194-I425 VanDerWaalsContact NZ-CD1 3.27Å; F196-I425 HydrophobicContact CE1-CG1 4.19Å; F196-I425 HydrophobicContact CE1-CG2 4.26Å; F196-I425 HydrophobicContact CZ-CD1 3.9Å; F196-I425 HydrophobicContact CZ-CG1 3.74Å; H229-I425 HydrophobicContact CB-CD1 3.81Å; I423-I425 VanDerWaalsContact C-N 3.26Å; I423-I425 HydrophobicContact CB-CG1 4.23Å; I423-I425 HydrophobicContact CG2-CD1 3.87Å; I423-I425 HydrophobicContact CG2-CG1 3.48Å; I423-I425 VanDerWaalsContact CG2-CG1 3.48Å; I423-I425 PolarHBondContact O-N 3.47Å; I425-D427 PolarHBondContact O-N 3.3Å | ||
| 426 | E | 41.6 | Very low | 45.2 | Very low | 157 Ų | 157 | 114 Ų | 114 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | trans | -54.9 | 134.5 | 161.2 | -70.9 | -177 | 164.4 | 0 | 0 | 107.3 | T424 E428 | T424-E426 VanDerWaalsContact C-N 3.34Å; T424-E426 PolarHBondContact O-N 3.22Å; E426-E428 PolarHBondContact O-N 2.95Å | ||
| 427 | D | 42.7 | Very low | 45.1 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 70% | 0.695 | 59% | 0.587 | S | S | * | * | trans | -67.4 | 65.9 | -176.2 | -69.6 | -55.4 | 0 | 0 | 0 | 111.3 | I425 W429 | I425-D427 PolarHBondContact O-N 3.3Å; D427-W429 PolarHBondContact O-N 2.78Å | ||
| 428 | E | 41.8 | Very low | 44.6 | Very low | 152 Ų | 152 | 120 Ų | 120 | 71% | 0.71 | 60% | 0.602 | S | S | * | * | trans | -80 | 70.3 | 166.8 | -74.4 | -173.6 | 176 | 0 | 0 | 109.3 | E426 | E426-E428 PolarHBondContact O-N 2.95Š| ||
| 429 | W | 36.9 | Very low | 43.7 | Very low | 194 Ų | 194 | 118.9 Ų | 118.9 | 74% | 0.735 | 61% | 0.614 | S | S | * | * | trans | -99 | 71.4 | 145.8 | -64.7 | 82.3 | 0 | 0 | 0 | 106.5 | R261 D427 E431 | R261-W429 VanDerWaalsContact NH2-NE1 3.15Å; D427-W429 PolarHBondContact O-N 2.78Å; W429-E431 PolarHBondContact O-N 3.3Å | ||
| 430 | E | 33.3 | Very low | 42.3 | Very low | 174 Ų | 174 | 126.4 Ų | 126.4 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | trans | -74.7 | 103.9 | 157.5 | -73.1 | -170.1 | 163.5 | 0 | 0 | 106.1 | E432 | E430-E432 PolarHBondContact O-N 3.47Å; E430-E432 VanDerWaalsContact O-N 3.12Å | ||
| 431 | E | 33.2 | Very low | 40.5 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | -61.2 | 108.8 | 162.5 | -72.3 | -177.9 | 167.3 | 0 | 0 | 107 | W429 E433 | W429-E431 PolarHBondContact O-N 3.3Å; E431-E433 VanDerWaalsContact C-N 3.34Å; E431-E433 PolarHBondContact O-N 2.88Å | ||
| 432 | E | 30.1 | Very low | 38.4 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | trans | -65.9 | 99.9 | 161.5 | -73.7 | -177.4 | 172.8 | 0 | 0 | 106.8 | E430 E434 | E430-E432 PolarHBondContact O-N 3.47Å; E430-E432 VanDerWaalsContact O-N 3.12Å; E432-E434 VanDerWaalsContact C-N 3.31Å; E432-E434 PolarHBondContact O-N 3.16Å | ||
| 433 | E | 30.6 | Very low | 36.4 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -62.6 | 93.1 | 166.2 | -75.5 | -172.1 | 163.2 | 0 | 0 | 108.6 | E431 E435 | E431-E433 VanDerWaalsContact C-N 3.34Å; E431-E433 PolarHBondContact O-N 2.88Å; E433-E435 PolarHBondContact O-N 3.28Å | ||
| 434 | E | 31.1 | Very low | 34.8 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -72.4 | 104.5 | 158.7 | -82 | -166.7 | 156.1 | 0 | 0 | 108.5 | E432 G436 | E432-E434 VanDerWaalsContact C-N 3.31Å; E432-E434 PolarHBondContact O-N 3.16Å; E434-G436 PolarHBondContact O-N 2.93Å | ||
| 435 | E | 33.7 | Very low | 34 | Very low | 199 Ų | 199 | 146.4 Ų | 146.4 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -60.4 | 103.5 | 163.4 | -78.6 | -163.4 | 153.3 | 0 | 0 | 109.7 | E433 | E433-E435 PolarHBondContact O-N 3.28Š| ||
| 436 | G | 32.1 | Very low | 33.3 | Very low | 68 Ų | 68 | 153.5 Ų | 153.5 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -163.6 | 85.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | E434 | E434-G436 PolarHBondContact O-N 2.93Š| ||
| 437 | A | 30.6 | Very low | 32.9 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | 41.9 | 117.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 438 | K | 33.4 | Very low | 32.7 | Very low | 208 Ų | 208 | 147.3 Ų | 147.3 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -38.1 | 135 | 169.3 | -69.6 | -178.8 | 172 | -175.5 | 0 | 116.4 | ||||
| 439 | A | 30 | Very low | 32.7 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -148.4 | 121 | 138.8 | 0 | 0 | 0 | 0 | 0 | 110 | L441 | A439-L441 PolarHBondContact O-N 2.76Š| ||
| 440 | D | 32.8 | Very low | 33.6 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 119.5 | 176.4 | -73.2 | -51.2 | 0 | 0 | 0 | 111.2 | ||||
| 441 | L | 31.1 | Very low | 34.5 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -137.7 | 140.4 | 162.9 | -81.6 | 166.2 | 0 | 0 | 0 | 108.9 | A439 | A439-L441 PolarHBondContact O-N 2.76Š| ||
| 442 | P | 31.8 | Very low | 36 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | -71.1 | 140 | -172.1 | 29.3 | -33.3 | 0 | 0 | 0 | 111.3 | D444 | P442-D444 PolarHBondContact O-N 3.37Š| ||
| 443 | S | 28.9 | Very low | 37.9 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | trans | -62.7 | 114.2 | 179.4 | 59 | 0 | 0 | 0 | 0 | 111.9 | T445 | S443-T445 PolarHBondContact O-N 3.3Š| ||
| 444 | D | 28.8 | Very low | 39.5 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 85% | 0.85 | 70% | 0.698 | S | S | * | * | trans | -71.2 | 109 | 163.9 | -95.4 | -27.3 | 0 | 0 | 0 | 109.2 | P442 H446 | P442-D444 PolarHBondContact O-N 3.37Å; D444-H446 PolarHBondContact O-N 2.89Å; D444-H446 VanDerWaalsContact O-N 3.11Å | ||
| 445 | T | 31.1 | Very low | 40.9 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 76% | 0.761 | 70% | 0.697 | S | S | * | * | trans | -52.9 | 110.7 | 166.2 | 6.3 | 0 | 0 | 0 | 0 | 110.2 | S443 T447 | S443-T445 PolarHBondContact O-N 3.3Å; T445-T447 PolarHBondContact O-N 3Å | ||
| 446 | H | 34.4 | Very low | 42.5 | Very low | 190 Ų | 190 | 116 Ų | 116 | 88% | 0.88 | 67% | 0.671 | S | S | * | * | trans | -57.6 | 102.6 | 168.3 | -93.1 | -73.8 | 0 | 0 | 0 | 109.6 | D444 | D444-H446 PolarHBondContact O-N 2.89Å; D444-H446 VanDerWaalsContact O-N 3.11Å | ||
| 447 | T | 33.4 | Very low | 44.3 | Very low | 91 Ų | 91 | 117.2 Ų | 117.2 | 56% | 0.558 | 66% | 0.657 | S | S | * | * | trans | -71.1 | 145.2 | 162.9 | 0.9 | 0 | 0 | 0 | 0 | 107.5 | T445 G449 | T445-T447 PolarHBondContact O-N 3Å; T447-G449 PolarHBondContact O-N 3.43Å | ||
| 448 | P | 38.5 | Very low | 45 | Very low | 66 Ų | 66 | 117.1 Ų | 117.1 | 43% | 0.429 | 65% | 0.65 | S | S | . | * | trans | -62.3 | 107.1 | 172.6 | -1.4 | 13.9 | 0 | 0 | 0 | 107.5 | L23 R450 | L23-P448 HydrophobicContact CD2-CG 3.49Å; L23-P448 VanDerWaalsContact CD2-CG 3.49Å; P448-R450 PolarHBondContact O-N 3.26Å | ||
| 449 | G | 41.5 | Very low | 45.5 | Very low | 48 Ų | 48 | 112.5 Ų | 112.5 | 50% | 0.495 | 64% | 0.64 | S | S | . | * | trans | -66.6 | 135.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T447 M451 | T447-G449 PolarHBondContact O-N 3.43Å; G449-M451 PolarHBondContact O-N 3.11Å | ||
| 450 | R | 55.3 | Low | 45.9 | Very low | 230 Ų | 230 | 114.1 Ų | 114.1 | 87% | 0.868 | 64% | 0.64 | S | S | * | * | trans | -36.3 | 134.5 | 156.5 | 177.8 | 179.3 | -179.4 | 178.8 | 0.8 | 109 | P448 V452 | P448-R450 PolarHBondContact O-N 3.26Å; R450-V452 VanDerWaalsContact O-CG2 3.27Å; R450-V452 WeakPolarHBondContact O-CG2 3.19Å; R450-V452 PolarHBondContact O-N 3.46Å | ||
| 451 | M | 52.6 | Low | 45.7 | Very low | 37 Ų | 37 | 111.1 Ų | 111.1 | 18% | 0.182 | 63% | 0.632 | C | S | . | * | trans | -45.5 | 103.4 | 179.4 | -171.4 | -172.7 | -58.1 | 0 | 0 | 111.2 | Y222 L252 Q265 V267 G449 L453 | Y222-M451 HydrophobicContact CE1-CE 4.34Å; L252-M451 HydrophobicContact CD2-CE 4.33Å; Q265-M451 VanDerWaalsContact NE2-CG 3.32Å; V267-M451 HydrophobicContact CB-CE 3.72Å; V267-M451 HydrophobicContact CG1-CE 3.1Å; G449-M451 PolarHBondContact O-N 3.11Å; M451-L453 HydrophobicContact CG-CD2 3.84Å; M451-L453 HydrophobicContact CG-CG 3.93Å; M451-L453 PolarHBondContact O-N 3.47Å; M451-L453 HydrophobicContact SD-CD1 4.08Å; M451-L453 HydrophobicContact SD-CD2 3.61Å; M451-L453 HydrophobicContact SD-CG 3.87Å | ||
| 452 | V | 64.4 | Low | 46.1 | Very low | 127 Ų | 127 | 109.5 Ų | 109.5 | 77% | 0.77 | 63% | 0.631 | S | S | * | * | trans | -89.2 | 102.2 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 106.4 | R450 | R450-V452 VanDerWaalsContact O-CG2 3.27Å; R450-V452 WeakPolarHBondContact O-CG2 3.19Å; R450-V452 PolarHBondContact O-N 3.46Å | ||
| 453 | L | 69.9 | Low | 46.4 | Very low | 50 Ų | 50 | 108.5 Ų | 108.5 | 26% | 0.262 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -85.2 | 140.7 | 176.3 | -68.2 | 173.1 | 0 | 0 | 0 | 109.5 | A233 V235 K250 M451 | A233-L453 HydrophobicContact CB-CD2 4.28Å; V235-L453 HydrophobicContact CG2-CB 3.77Å; V235-L453 HydrophobicContact CG2-CD1 4.22Å; V235-L453 HydrophobicContact CG2-CD2 4.15Å; V235-L453 HydrophobicContact CG2-CG 4.27Å; K250-L453 HydrophobicContact CB-CD1 4.11Å; K250-L453 HydrophobicContact CB-CD2 4.42Å; K250-L453 HydrophobicContact CD-CD1 3.62Å; K250-L453 HydrophobicContact CG-CD1 3.6Å; M451-L453 HydrophobicContact CG-CD2 3.84Å; M451-L453 HydrophobicContact CG-CG 3.93Å; M451-L453 PolarHBondContact O-N 3.47Å; M451-L453 HydrophobicContact SD-CD1 4.08Å; M451-L453 HydrophobicContact SD-CD2 3.61Å; M451-L453 HydrophobicContact SD-CG 3.87Å |
| 454 | P | 63.5 | Low | 46.5 | Very low | 43 Ų | 43 | 108.6 Ų | 108.6 | 28% | 0.279 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 153.5 | 168.9 | 27.7 | -33.7 | 0 | 0 | 0 | 110 | V235 | V235-P454 HydrophobicContact CG2-CG 4.32Å; V235-P454 WeakPolarHBondContact CG2-O 3.36Å |
| 455 | E | 60.2 | Low | 46.5 | Very low | 177 Ų | 177 | 108.3 Ų | 108.3 | 83% | 0.827 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 141.4 | 169.3 | -69.8 | -169.9 | 168.4 | 0 | 0 | 109.7 | K457 | E455-K457 PolarHBondContact O-N 3.48Š|
| 456 | P | 68.3 | Low | 46.4 | Very low | 59 Ų | 59 | 109.4 Ų | 109.4 | 38% | 0.383 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -58 | 128.8 | 176.7 | -17 | 26.9 | 0 | 0 | 0 | 110.1 | V235 Q237 S458 | V235-P456 HydrophobicContact CG1-CB 4.15Å; V235-P456 HydrophobicContact CG1-CG 3.99Å; Q237-P456 HydrophobicContact CG-CB 3.98Å; P456-S458 PolarHBondContact O-N 2.94Å |
| 457 | K | 69.5 | Low | 46.2 | Very low | 94 Ų | 94 | 107.1 Ų | 107.1 | 41% | 0.409 | 61% | 0.612 | S | S | . | * | trans | -67.7 | 107.5 | 170.9 | -66.1 | -174.4 | -173.9 | 176.5 | 0 | 108.1 | H183 G185 E455 T459 | H183-K457 VanDerWaalsContact O-CD 3.25Å; H183-K457 WeakPolarHBondContact O-CD 3.38Å; H183-K457 WeakPolarHBondContact O-CE 3.47Å; H183-K457 PolarHBondContact O-NZ 2.88Å; G185-K457 VanDerWaalsContact O-CE 3.29Å; G185-K457 WeakPolarHBondContact O-CE 3.12Å; G185-K457 PolarHBondContact O-NZ 2.81Å; E455-K457 PolarHBondContact O-N 3.48Å; K457-T459 PolarHBondContact O-N 2.75Å | ||
| 458 | S | 44.9 | Very low | 46 | Very low | 103 Ų | 103 | 110 Ų | 110 | 72% | 0.72 | 62% | 0.623 | S | S | * | * | trans | -69.6 | 95.9 | 176 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | P456 | P456-S458 PolarHBondContact O-N 2.94Š| ||
| 459 | T | 44.7 | Very low | 45.7 | Very low | 111 Ų | 111 | 112.2 Ų | 112.2 | 68% | 0.681 | 64% | 0.637 | S | S | * | * | trans | -106.7 | 68.1 | 166.4 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | K457 | K457-T459 PolarHBondContact O-N 2.75Š| ||
| 460 | V | 37.5 | Very low | 45.2 | Very low | 127 Ų | 127 | 115.2 Ų | 115.2 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | trans | -107 | 82.6 | 155.2 | -173.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 461 | S | 29.7 | Very low | 44 | Very low | 103 Ų | 103 | 109.3 Ų | 109.3 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | trans | -105.9 | 112.3 | 159 | -66 | 0 | 0 | 0 | 0 | 107.2 | S463 | S461-S463 VanDerWaalsContact C-N 3.34Å; S461-S463 PolarHBondContact O-N 3.13Å | ||
| 462 | P | 38.9 | Very low | 43 | Very low | 125 Ų | 125 | 113.4 Ų | 113.4 | 81% | 0.812 | 67% | 0.672 | S | S | * | * | trans | -83.1 | 79.6 | 177.4 | 33.1 | -30.4 | 0 | 0 | 0 | 109.3 | ||||
| 463 | S | 37.7 | Very low | 41.3 | Very low | 98 Ų | 98 | 115.1 Ų | 115.1 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | trans | -175.6 | 80.5 | 165 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | S461 | S461-S463 VanDerWaalsContact C-N 3.34Å; S461-S463 PolarHBondContact O-N 3.13Å | ||
| 464 | V | 30.8 | Very low | 39.3 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 72% | 0.721 | 70% | 0.701 | S | S | * | * | trans | -140.9 | 79.3 | 141.9 | -164.3 | 0 | 0 | 0 | 0 | 107 | M466 | V464-M466 VanDerWaalsContact C-N 3.29Å; V464-M466 HydrophobicContact CG1-CE 3.72Å; V464-M466 HydrophobicContact CG1-CG 3.85Å; V464-M466 HydrophobicContact CG1-SD 4.17Å; V464-M466 PolarHBondContact O-N 2.75Å; V464-M466 VanDerWaalsContact O-N 3.1Å | ||
| 465 | L | 29.1 | Very low | 37.8 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | trans | -71 | 95.1 | 160.6 | -156 | 119 | 0 | 0 | 0 | 105.1 | D467 | L465-D467 PolarHBondContact O-N 3.24Š| ||
| 466 | M | 29.9 | Very low | 36.3 | Very low | 148 Ų | 148 | 120.6 Ų | 120.6 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | trans | -74.5 | 100.6 | 166.4 | -78.2 | -64.2 | 179.3 | 0 | 0 | 106.6 | V464 L468 | V464-M466 VanDerWaalsContact C-N 3.29Å; V464-M466 HydrophobicContact CG1-CE 3.72Å; V464-M466 HydrophobicContact CG1-CG 3.85Å; V464-M466 HydrophobicContact CG1-SD 4.17Å; V464-M466 PolarHBondContact O-N 2.75Å; V464-M466 VanDerWaalsContact O-N 3.1Å; M466-L468 PolarHBondContact O-N 3.04Å | ||
| 467 | D | 29.8 | Very low | 34.4 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -57.5 | 103.1 | 160.8 | -89.7 | -33.8 | 0 | 0 | 0 | 107.9 | L465 | L465-D467 PolarHBondContact O-N 3.24Š| ||
| 468 | L | 30.1 | Very low | 32.5 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 125.9 | 167 | -70 | 167.2 | 0 | 0 | 0 | 107.6 | M466 | M466-L468 PolarHBondContact O-N 3.04Š|
| 469 | P | 30.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63 | 141.8 | 170.3 | 25.4 | -30.7 | 0 | 0 | 0 | 109.2 | ||
| 470 | P | 32 | Very low | 31.5 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 144.4 | -178.9 | 24.8 | -32.3 | 0 | 0 | 0 | 110.6 | S472 | P470-S472 PolarHBondContact O-N 3.44Š|
| 471 | P | 30.4 | Very low | 31.1 | Very low | 105 Ų | 105 | 129 Ų | 129 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 119.9 | -177.7 | 27 | -32.5 | 0 | 0 | 0 | 110.5 | H473 | P471-H473 VanDerWaalsContact C-N 3.29Å; P471-H473 PolarHBondContact O-N 2.84Å |
| 472 | S | 30.7 | Very low | 31 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -68.8 | 83.6 | 169.9 | -57.2 | 0 | 0 | 0 | 0 | 110.2 | P470 | P470-S472 PolarHBondContact O-N 3.44Š| ||
| 473 | H | 30.3 | Very low | 31 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -103 | 101.2 | 162.4 | -70.5 | -66.1 | 0 | 0 | 0 | 109.2 | P471 | P471-H473 VanDerWaalsContact C-N 3.29Å; P471-H473 PolarHBondContact O-N 2.84Å | ||
| 474 | S | 27.4 | Very low | 30.6 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -99.9 | 99.1 | 160.5 | -65.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 475 | T | 31.8 | Very low | 30.4 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -76.5 | 147.9 | 158.5 | 31.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 476 | P | 29.3 | Very low | 30.4 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -78.3 | 136.3 | -174.9 | 31.9 | -32.8 | 0 | 0 | 0 | 110.6 | ||||
| 477 | R | 26.6 | Very low | 30.4 | Very low | 248 Ų | 248 | 135.5 Ų | 135.5 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | trans | -116.5 | 129.6 | 169.5 | -169.3 | 173 | 175.6 | -172.7 | -1.9 | 110 | ||||
| 478 | A | 29.5 | Very low | 30.3 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -66.7 | 167.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 479 | P | 37.7 | Very low | 30.3 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -85.9 | 172.2 | -146.4 | 36.8 | -37.1 | 0 | 0 | 0 | 114.3 | ||||
| 480 | P | 32.8 | Very low | 30.1 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | -145.2 | 151.7 | 119 | 33.1 | -15.6 | 0 | 0 | 0 | 116.4 | |||||
| 481 | A | 28.5 | Very low | 29.8 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 62.2 | 119.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 482 | Q | 27.8 | Very low | 29.6 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -63.9 | 165.6 | 162 | -52.6 | -165.2 | -48 | 0 | 0 | 111.8 | ||||
| 483 | P | 38.2 | Very low | 29.5 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | -141.4 | 151.7 | 71.5 | 24.9 | -1.2 | 0 | 0 | 0 | 117 | |||||
| 484 | E | 28.7 | Very low | 29.5 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 64.9 | 137.2 | 133.7 | -62.8 | 178.1 | -178.5 | 0 | 0 | 124.1 | ||||
| 485 | G | 27.8 | Very low | 29.6 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 117.1 | 84.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 486 | E | 29.5 | Very low | 29.4 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 87.6 | 125.7 | 88.4 | -82.7 | -165.8 | 160.4 | 0 | 0 | 115.8 | |||||
| 487 | Q | 29.8 | Very low | 29.4 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | trans | 65.6 | 157.4 | 149 | -70.2 | 173.3 | 35.3 | 0 | 0 | 118.8 | ||||
| 488 | E | 27.8 | Very low | 29.5 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | cis | -171 | 165.4 | -27.6 | -112.1 | -171.7 | 167.6 | 0 | 0 | 104.8 | ||||
| 489 | G | 28.3 | Very low | 29.5 | Very low | 76 Ų | 76 | 140 Ų | 140 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 93.6 | 108 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 490 | R | 27.1 | Very low | 29.1 | Very low | 239 Ų | 239 | 141.8 Ų | 141.8 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | cis | 82.6 | 120.5 | 45.7 | -149.4 | -167.8 | -171.1 | -174.7 | 2.4 | 114.4 | ||||
| 491 | C | 25.2 | Very low | 28.9 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | 64.9 | 145.7 | 161.4 | -71.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 492 | G | 26.3 | Very low | 28.9 | Very low | 59 Ų | 59 | 148.1 Ų | 148.1 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | cis | 166.8 | 162.3 | 4.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 493 | D | 28.8 | Very low | 28.8 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | 57.2 | 152.1 | 153.1 | -56.5 | -17.4 | 0 | 0 | 0 | 119.5 | ||||
| 494 | E | 30.1 | Very low | 28.3 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | cis | -169.6 | 162 | -1 | -117.8 | 178.8 | 174.2 | 0 | 0 | 106.7 | ||||
| 495 | E | 29.2 | Very low | 28.1 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | 37.1 | 131.8 | 147.4 | -63.9 | -166.6 | 141.1 | 0 | 0 | 123.4 | ||||
| 496 | A | 28 | Very low | 27.9 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | 179.5 | 149.8 | 100.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 497 | A | 29.2 | Very low | 27.8 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -83.8 | 160.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 498 | A | 29.6 | Very low | 27.7 | Very low | 107 Ų | 107 | 145 Ų | 145 | 88% | 0.884 | 84% | 0.836 | S | S | * | * | trans | -155.3 | 121.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 499 | R | 29.1 | Very low | 27.7 | Very low | 237 Ų | 237 | 140.3 Ų | 140.3 | 89% | 0.894 | 84% | 0.837 | S | S | * | * | trans | -89.8 | 177.8 | 168.9 | -84.3 | 178.6 | 170.6 | 172.7 | -1.5 | 110.3 | ||||
| 500 | I | 30.3 | Very low | 27.7 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | trans | 117.3 | 124.9 | 152.7 | -61 | 169 | 0 | 0 | 0 | 110.1 | ||||
| 501 | L | 27.6 | Very low | 27.7 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | cis | -162.8 | 151.9 | 47.6 | -128.5 | 146.6 | 0 | 0 | 0 | 111.8 | ||||
| 502 | K | 28 | Very low | 28 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | trans | -128.6 | 141.1 | 170.6 | -159.5 | -171.1 | -163 | -176.9 | 0 | 107 | ||||
| 503 | R | 27.3 | Very low | 28.1 | Very low | 230 Ų | 230 | 139.9 Ų | 139.9 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | trans | 170 | 115 | 155.8 | -97.6 | 174.8 | 176.4 | -175.3 | -0.9 | 108.1 | ||||
| 504 | S | 26.5 | Very low | 28.2 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 84% | 0.84 | S | S | * | * | 84.6 | 108.3 | 63.3 | 68.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 505 | G | 24.7 | Very low | 28.2 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 93% | 0.928 | 84% | 0.841 | S | S | * | * | 62 | 127 | 124.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 506 | G | 23.8 | Very low | 28.2 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | -168.7 | 119.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 507 | E | 27.7 | Very low | 28.2 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 94% | 0.939 | 84% | 0.839 | S | S | * | * | trans | -75.7 | 150.8 | 180 | -66.7 | 171 | 126.8 | 0 | 0 | 113.6 | ||||
| 508 | A | 27.7 | Very low | 28.2 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -159.5 | 131.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 509 | G | 26.5 | Very low | 28.4 | Very low | 84 Ų | 84 | 151 Ų | 151 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | -83.3 | 164.6 | -167 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 510 | S | 29.1 | Very low | 28.5 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 90% | 0.895 | 83% | 0.834 | S | S | * | * | trans | -170.2 | 113.9 | 157.6 | -174.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 511 | G | 26.8 | Very low | 28.5 | Very low | 64 Ų | 64 | 151.1 Ų | 151.1 | 66% | 0.66 | 84% | 0.838 | S | S | * | * | 107.8 | 83.7 | 84.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | T513 | G511-T513 PolarHBondContact O-N 3.34Å; G511-T513 VanDerWaalsContact O-N 3.13Å | |||
| 512 | N | 31 | Very low | 28.8 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 90% | 0.904 | 84% | 0.835 | S | S | * | * | trans | -54.8 | 112.3 | 169.5 | -95.3 | -10.7 | 0 | 0 | 0 | 110.3 | ||||
| 513 | T | 28.3 | Very low | 29.1 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 80% | 0.798 | 83% | 0.829 | S | S | * | * | trans | -142.6 | 101.1 | 156.6 | 44 | 0 | 0 | 0 | 0 | 110 | G511 P515 | G511-T513 PolarHBondContact O-N 3.34Å; G511-T513 VanDerWaalsContact O-N 3.13Å; T513-P515 WeakPolarHBondContact O-CD 3.39Å | ||
| 514 | T | 31.7 | Very low | 29.3 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -65.8 | 121.3 | 164.2 | -35.4 | 0 | 0 | 0 | 0 | 108.1 | R516 | T514-R516 PolarHBondContact O-N 3.12Š| ||
| 515 | P | 31 | Very low | 29.6 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | trans | -72 | 103.8 | 168.4 | 26 | -27.9 | 0 | 0 | 0 | 108.5 | T513 I517 | T513-P515 WeakPolarHBondContact O-CD 3.39Å; P515-I517 PolarHBondContact O-N 3.31Å; P515-I517 VanDerWaalsContact O-N 3.12Å | ||
| 516 | R | 27.8 | Very low | 29.9 | Very low | 231 Ų | 231 | 153.1 Ų | 153.1 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -59.6 | 107.9 | 164.4 | -89.6 | 173.6 | 141.2 | 175 | -5.5 | 108.4 | T514 K518 | T514-R516 PolarHBondContact O-N 3.12Å; R516-K518 PolarHBondContact O-N 3.1Å | ||
| 517 | I | 29.4 | Very low | 30.3 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -65.6 | 100.3 | 162.7 | -63.2 | 171.2 | 0 | 0 | 0 | 107.1 | P515 R519 | P515-I517 PolarHBondContact O-N 3.31Å; P515-I517 VanDerWaalsContact O-N 3.12Å; I517-R519 PolarHBondContact O-N 2.99Å | ||
| 518 | K | 28.6 | Very low | 30.4 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 81% | 0.809 | 81% | 0.806 | S | S | * | * | trans | -76.2 | 103.7 | 164.6 | -82.1 | -178 | 176.6 | 176.5 | 0 | 107.3 | R516 R520 | R516-K518 PolarHBondContact O-N 3.1Å; K518-R520 PolarHBondContact O-N 3.06Å; K518-R520 VanDerWaalsContact O-N 3.13Å | ||
| 519 | R | 33 | Very low | 30.5 | Very low | 221 Ų | 221 | 152.1 Ų | 152.1 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -63.5 | 108.1 | 161.1 | -72.2 | -179.2 | 176.7 | 177 | -2 | 107.9 | I517 | I517-R519 PolarHBondContact O-N 2.99Š| ||
| 520 | R | 30.8 | Very low | 30.8 | Very low | 230 Ų | 230 | 155.4 Ų | 155.4 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -102.8 | 137.5 | 158.3 | -101.7 | 178.8 | 172.2 | 168 | -5 | 106.8 | K518 | K518-R520 PolarHBondContact O-N 3.06Å; K518-R520 VanDerWaalsContact O-N 3.13Å | ||
| 521 | N | 30.9 | Very low | 31 | Very low | 163 Ų | 163 | 156.7 Ų | 156.7 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 89.2 | 51.6 | -179.1 | -50 | -9.8 | 0 | 0 | 0 | 115.8 | ||||
| 522 | Q | 34.3 | Very low | 31.3 | Very low | 165 Ų | 165 | 162.5 Ų | 162.5 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | trans | -91.3 | 113.9 | 134 | -97.8 | 178.8 | -19 | 0 | 0 | 105.9 | ||||
| 523 | V | 33.4 | Very low | 31.2 | Very low | 117 Ų | 117 | 160.2 Ų | 160.2 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | trans | 160 | 73.5 | 149.6 | 179.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 524 | I | 32.3 | Very low | 31.4 | Very low | 146 Ų | 146 | 163.4 Ų | 163.4 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -146.1 | 129.2 | 143.8 | -55.9 | -174.8 | 0 | 0 | 0 | 102.6 | ||
| 525 | Y | 33.3 | Very low | 31.5 | Very low | 224 Ų | 224 | 164.8 Ų | 164.8 | 88% | 0.878 | 85% | 0.848 | S | S | * | * | trans | 84.2 | 56.5 | -163.4 | -46.5 | -70.4 | 0 | 0 | 0 | 115.7 | ||||
| 526 | Q | 30.3 | Very low | 31.5 | Very low | 168 Ų | 168 | 167.3 Ų | 167.3 | 79% | 0.785 | 85% | 0.853 | S | S | * | * | trans | -104.1 | 109 | 141.3 | -86.6 | 179.7 | -14 | 0 | 0 | 107 | T528 | Q526-T528 PolarHBondContact O-N 3.03Š| ||
| 527 | S | 31.4 | Very low | 31.7 | Very low | 99 Ų | 99 | 163.9 Ų | 163.9 | 69% | 0.692 | 85% | 0.852 | S | S | * | * | trans | -69 | 114.9 | 163.3 | 44.7 | 0 | 0 | 0 | 0 | 107.9 | D529 | S527-D529 PolarHBondContact O-N 3.13Š| ||
| 528 | T | 30.7 | Very low | 31.8 | Very low | 123 Ų | 123 | 164.3 Ų | 164.3 | 76% | 0.755 | 85% | 0.854 | S | S | * | * | trans | -70.9 | 102.3 | 161 | 37.4 | 0 | 0 | 0 | 0 | 107.7 | Q526 | Q526-T528 PolarHBondContact O-N 3.03Š| ||
| 529 | D | 29.8 | Very low | 32 | Very low | 146 Ų | 146 | 163 Ų | 163 | 78% | 0.781 | 86% | 0.857 | S | S | * | * | trans | -76.3 | 108.6 | 153.6 | -73.5 | -35 | 0 | 0 | 0 | 106.6 | S527 | S527-D529 PolarHBondContact O-N 3.13Š| ||
| 530 | D | 31.8 | Very low | 31.9 | Very low | 153 Ų | 153 | 159.4 Ų | 159.4 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | trans | -95.4 | 102.1 | 160.9 | -79 | -28.4 | 0 | 0 | 0 | 107 | ||||
| 531 | D | 34.8 | Very low | 32 | Very low | 154 Ų | 154 | 154.7 Ų | 154.7 | 82% | 0.824 | 86% | 0.858 | S | S | * | * | trans | -68.4 | 128.5 | 152.5 | -87.5 | -37.5 | 0 | 0 | 0 | 108.1 | ||||
| 532 | E | 31.8 | Very low | 32.1 | Very low | 186 Ų | 186 | 154.1 Ų | 154.1 | 87% | 0.869 | 86% | 0.857 | S | S | * | * | 173.4 | 109.8 | 125.6 | -95.3 | -178.1 | -175.2 | 0 | 0 | 110.6 | |||||
| 533 | C | 29 | Very low | 31.9 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 82% | 0.824 | 86% | 0.863 | S | S | * | * | trans | -152.5 | 96.6 | 142 | -107.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 534 | E | 33.2 | Very low | 31.8 | Very low | 197 Ų | 197 | 156.3 Ų | 156.3 | 92% | 0.921 | 88% | 0.876 | S | S | * | * | trans | 57.1 | 121.1 | 135.8 | -58.7 | -171.8 | 158.7 | 0 | 0 | 121.1 | ||||
| 535 | G | 33.2 | Very low | 31.8 | Very low | 157 Ų | 157 | 157.2 Ų | 157.2 | 100% | 1.619 | 89% | 0.888 | S | S | * | * | trans | 165.3 | 0 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114 |
Retrieved 535 of 535 residues in 473.9 ms
(Link to these results)