| 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 | N | 39 | Very low | 64.8 | Low | 160 Ų | 160 | 76.9 Ų | 76.9 | 86% | 0.856 | 41% | 0.412 | S | S | * | . | 0 | 115.7 | 0 | -53.7 | 8.4 | 0 | 0 | 0 | 108.4 | E4 | N1-E4 HydrophobicContact CB-CG 4.49Å; N1-E4 WeakPolarHBondContact CB-OE2 3.49Å; N1-E4 VanDerWaalsContact CG-OE2 3.29Å; N1-E4 PolarHBondContact ND2-OE2 3.42Å | |||
| 2 | S | 40.3 | Very low | 67.1 | Low | 93 Ų | 93 | 75.8 Ų | 75.8 | 65% | 0.65 | 41% | 0.414 | S | S | * | . | trans | -124.1 | -7.9 | 176.7 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | S | 44.6 | Very low | 69.1 | Low | 70 Ų | 70 | 71.1 Ų | 71.1 | 49% | 0.49 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -68.7 | -53.9 | 168.9 | 40.9 | 0 | 0 | 0 | 0 | 111.2 | V5 V6 D7 | S3-V5 PolarHBondContact O-N 2.92Å; S3-V6 WeakPolarHBondContact O-CA 3.49Å; S3-V6 WeakPolarHBondContact O-CB 3.07Å; S3-V6 PolarHBondContact O-N 3.06Å; S3-D7 PolarHBondContact O-N 2.92Å; S3-D7 VanDerWaalsContact O-OD2 3.08Å |
| 4 | E | 48.8 | Very low | 70.9 | Confident | 81 Ų | 81 | 71.2 Ų | 71.2 | 38% | 0.379 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -21 | -174 | -67.9 | 178.9 | 125.8 | 0 | 0 | 115.2 | N1 D7 H33 | N1-E4 HydrophobicContact CB-CG 4.49Å; N1-E4 WeakPolarHBondContact CB-OE2 3.49Å; N1-E4 VanDerWaalsContact CG-OE2 3.29Å; N1-E4 PolarHBondContact ND2-OE2 3.42Å; E4-D7 WeakPolarHBondContact CA-OD2 3.29Å; E4-D7 PolarHBondContact N-OD2 3.2Å; E4-H33 PolarHBondContact O-CE1 3.02Å |
| 5 | V | 54.7 | Low | 72.5 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -2.6 | 179.1 | -164 | 0 | 0 | 0 | 0 | 112.2 | S3 L34 L52 | S3-V5 PolarHBondContact O-N 2.92Å; V5-L34 HydrophobicContact CG1-CD1 4.15Å; V5-L52 HydrophobicContact CG1-CD1 4.08Å; V5-L52 WeakPolarHBondContact O-CD1 3.2Å |
| 6 | V | 60.5 | Low | 73.8 | Confident | 74 Ų | 74 | 68.9 Ų | 68.9 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -34.7 | 174.1 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | S3 D8 I9 | S3-V6 WeakPolarHBondContact O-CA 3.49Å; S3-V6 WeakPolarHBondContact O-CB 3.07Å; S3-V6 PolarHBondContact O-N 3.06Å; V6-D8 PolarHBondContact O-N 3.43Å; V6-D8 VanDerWaalsContact O-N 3.1Å; V6-I9 HydrophobicContact CG1-CD1 4.46Å; V6-I9 WeakPolarHBondContact O-CB 3.28Å; V6-I9 PolarHBondContact O-N 3.12Å |
| 7 | D | 67.8 | Low | 74.8 | Confident | 118 Ų | 118 | 66.4 Ų | 66.4 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.4 | 179.6 | -58.7 | -35 | 0 | 0 | 0 | 113.4 | S3 E4 I9 | S3-D7 PolarHBondContact O-N 2.92Å; S3-D7 VanDerWaalsContact O-OD2 3.08Å; E4-D7 WeakPolarHBondContact CA-OD2 3.29Å; E4-D7 PolarHBondContact N-OD2 3.2Å; D7-I9 VanDerWaalsContact C-N 3.34Å |
| 8 | D | 84.7 | Confident | 75.6 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -6.4 | 173.8 | 87.6 | -44.7 | 0 | 0 | 0 | 114.3 | V6 R29 A30 S32 R38 | V6-D8 PolarHBondContact O-N 3.43Å; V6-D8 VanDerWaalsContact O-N 3.1Å; D8-R29 CarbonylContact O-C 3.52Å; D8-R29 WeakPolarHBondContact O-CA 3.11Å; D8-R29 WeakPolarHBondContact O-CB 3.47Å; D8-R29 IonicContact OD1-CZ 3.75Å; D8-R29 IonicContact OD1-NH1 2.73Å; D8-R29 PolarHBondContact OD1-NH1 3.49Å; D8-R29 VanDerWaalsContact OD2-CD 3.29Å; D8-R29 WeakPolarHBondContact OD2-CD 3.03Å; D8-R29 IonicContact OD2-CZ 2.72Å; D8-R29 IonicContact OD2-NE 3.77Å; D8-R29 IonicContact OD2-NH1 3.53Å; D8-R29 PolarHBondContact OD2-NH1 3.34Å; D8-A30 PolarHBondContact O-N 3.16Å; D8-S32 WeakPolarHBondContact CB-OG 3.29Å; D8-R38 IonicContact OD2-NH2 2.66Å |
| 9 | I | 90.3 | Very high | 76 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 19% | 0.19 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 100.2 | -175.6 | -54.5 | 162.9 | 0 | 0 | 0 | 110.8 | V6 D7 C12 V27 F48 L52 | V6-I9 HydrophobicContact CG1-CD1 4.46Å; V6-I9 WeakPolarHBondContact O-CB 3.28Å; V6-I9 PolarHBondContact O-N 3.12Å; D7-I9 VanDerWaalsContact C-N 3.34Å; I9-C12 HydrophobicContact CG2-CB 4.31Å; I9-V27 HydrophobicContact CG1-CG1 4.37Å; I9-V27 HydrophobicContact CG2-CG1 3.89Å; I9-F48 HydrophobicContact CD1-CZ 3.79Å; I9-L52 HydrophobicContact CD1-CD1 4.37Å |
| 10 | R | 89.8 | Confident | 76.3 | Confident | 136 Ų | 136 | 66.4 Ų | 66.4 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -36.1 | 177.9 | -172.5 | 59.3 | 173.6 | 163.4 | -3.7 | 113.2 | L28 E120 L121 | R10-L28 HydrophobicContact CB-CD2 4.49Å; R10-L28 PolarHBondContact N-O 3.49Å; R10-E120 IonicContact CZ-OE1 3.3Å; R10-E120 IonicContact CZ-OE2 3.14Å; R10-E120 VanDerWaalsContact CZ-OE2 3.23Å; R10-E120 IonicContact NE-OE2 2.72Å; R10-E120 PolarHBondContact NE-OE2 2.85Å; R10-E120 IonicContact NH2-OE1 3.73Å; R10-E120 PolarHBondContact NH2-OE1 2.91Å; R10-E120 IonicContact NH2-OE2 2.77Å; R10-E120 PolarHBondContact NH2-OE2 2.98Å; R10-L121 HydrophobicContact CB-CD1 3.87Å; R10-L121 HydrophobicContact CG-CD1 4.1Å; R10-L121 HydrophobicContact CG-CD2 4.39Å; R10-L121 HydrophobicContact CG-CG 4.34Å |
| 11 | K | 92.1 | Very high | 76.8 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 21% | 0.213 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 146.2 | 177.8 | -157.5 | 175.7 | -176.2 | 79.7 | 0 | 111.6 | L28 D113 W114 A117 | K11-L28 HydrophobicContact CB-CB 4.18Å; K11-L28 HydrophobicContact CB-CD2 4.26Å; K11-L28 PolarHBondContact N-O 2.98Å; K11-L28 PolarHBondContact O-N 3.32Å; K11-D113 IonicContact NZ-OD2 2.85Å; K11-D113 PolarHBondContact NZ-OD2 3.44Å; K11-W114 HydrophobicContact CB-CZ3 4.4Å; K11-W114 HydrophobicContact CD-CD2 3.7Å; K11-W114 HydrophobicContact CD-CE3 4.07Å; K11-W114 HydrophobicContact CD-CG 3.94Å; K11-W114 HydrophobicContact CD-CZ2 4.45Å; K11-W114 HydrophobicContact CG-CD2 4.38Å; K11-W114 HydrophobicContact CG-CH2 4.44Å; K11-W114 HydrophobicContact CG-CZ2 4.29Å; K11-A117 HydrophobicContact CD-CB 4.06Å |
| 12 | C | 93.1 | Very high | 79.3 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 156 | 169.5 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | I9 F25 F26 V27 | I9-C12 HydrophobicContact CG2-CB 4.31Å; C12-F25 HydrophobicContact CB-CE1 3.85Å; C12-F25 HydrophobicContact CB-CZ 3.64Å; C12-F26 VanDerWaalsContact CA-O 3.26Å; C12-F26 WeakPolarHBondContact CA-O 3.48Å; C12-F26 WeakPolarHBondContact CB-O 3.49Å; C12-V27 HydrophobicContact CB-CG1 4.43Å; C12-V27 HydrophobicContact CB-CG2 4.21Å |
| 13 | G | 93 | Very high | 81.8 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.2 | -179.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F25 F26 | G13-F25 CarbonylContact O-C 3.6Å; G13-F25 WeakPolarHBondContact O-CA 3.47Å; G13-F25 WeakPolarHBondContact O-CD2 3.37Å; G13-F26 PolarHBondContact N-O 2.82Å; G13-F26 PolarHBondContact O-N 3.37Å |
| 14 | Y | 94.4 | Very high | 84.2 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 29% | 0.286 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 87.9 | -172.6 | -81.7 | -81.3 | 0 | 0 | 0 | 113.7 | K23 R24 F25 S44 E45 | Y14-K23 HydrophobicContact CD1-CG 4.14Å; Y14-K23 HydrophobicContact CG-CG 4.47Å; Y14-K23 VanDerWaalsContact O-CE 3.25Å; Y14-K23 WeakPolarHBondContact O-CE 3.49Å; Y14-R24 CarbonylContact C-O 3.44Å; Y14-R24 WeakPolarHBondContact CA-O 3.5Å; Y14-F25 HydrophobicContact CD1-CB 4.05Å; Y14-F25 HydrophobicContact CD1-CD2 4.06Å; Y14-F25 AromaticContact CD2-CD2 3.69Å; Y14-F25 HydrophobicContact CD2-CD2 3.69Å; Y14-F25 HydrophobicContact CD2-CE2 4.18Å; Y14-F25 HydrophobicContact CE1-CB 3.9Å; Y14-F25 HydrophobicContact CE1-CD2 4.08Å; Y14-F25 HydrophobicContact CE1-CG 4.47Å; Y14-F25 AromaticContact CE2-CD2 3.68Å; Y14-F25 HydrophobicContact CE2-CD2 3.68Å; Y14-F25 HydrophobicContact CE2-CE2 4.18Å; Y14-F25 AromaticContact CG-CD2 3.89Å; Y14-F25 HydrophobicContact CG-CD2 3.89Å; Y14-F25 AromaticContact CZ-CD2 3.9Å; Y14-S44 PolarHBondContact OH-OG 2.8Å; Y14-E45 HydrophobicContact CE2-CB 3.89Å; Y14-E45 WeakPolarHBondContact OH-CB 3.2Å; Y14-E45 PolarHBondContact OH-N 2.85Å; Y14-E45 VanDerWaalsContact OH-N 3.12Å |
| 15 | L | 94.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 161.2 | 173.6 | -55.8 | 171.5 | 0 | 0 | 0 | 112.2 | K23 R24 F26 I103 A105 E110 W114 | L15-K23 WeakPolarHBondContact O-CA 3.17Å; L15-R24 PolarHBondContact N-O 3.2Å; L15-R24 PolarHBondContact O-N 3.15Å; L15-R24 VanDerWaalsContact O-O 3.06Å; L15-F26 HydrophobicContact CB-CD2 3.6Å; L15-F26 HydrophobicContact CB-CE2 3.8Å; L15-F26 HydrophobicContact CB-CG 4.37Å; L15-F26 HydrophobicContact CD1-CB 4.41Å; L15-F26 HydrophobicContact CD1-CD2 4.31Å; L15-F26 HydrophobicContact CD1-CG 4.26Å; L15-F26 HydrophobicContact CG-CD2 4.24Å; L15-I103 HydrophobicContact CD1-CB 4.23Å; L15-I103 HydrophobicContact CD1-CD1 3.64Å; L15-I103 HydrophobicContact CD1-CG1 4.03Å; L15-A105 HydrophobicContact CD2-CB 4Å; L15-E110 VanDerWaalsContact CD2-CD 3.42Å; L15-E110 HydrophobicContact CD2-CG 4Å; L15-E110 WeakPolarHBondContact CD2-OE1 3.43Å; L15-W114 HydrophobicContact CD1-CD2 3.78Å; L15-W114 HydrophobicContact CD1-CE3 4.15Å; L15-W114 HydrophobicContact CD1-CG 4.09Å; L15-W114 HydrophobicContact CD1-CZ2 4.18Å; L15-W114 HydrophobicContact CD1-CZ3 4.5Å; L15-W114 HydrophobicContact CG-CZ2 4.35Å |
| 16 | R | 92.8 | Very high | 88.3 | Confident | 106 Ų | 106 | 56.3 Ų | 56.3 | 40% | 0.4 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 159.6 | 170 | -63.3 | 168.3 | -170.5 | -117.5 | 4.2 | 109 | G21 K23 I103 V104 E106 | R16-G21 WeakPolarHBondContact CG-O 3.44Å; R16-K23 HydrophobicContact CG-CB 4.12Å; R16-K23 HydrophobicContact CG-CG 4.34Å; R16-I103 CarbonylContact O-C 3.58Å; R16-I103 WeakPolarHBondContact O-CA 3.4Å; R16-V104 HydrophobicContact CB-CB 4.07Å; R16-V104 PolarHBondContact N-O 2.83Å; R16-V104 PolarHBondContact O-N 3.31Å; R16-E106 IonicContact CZ-OE1 2.71Å; R16-E106 IonicContact NE-OE1 2.85Å; R16-E106 PolarHBondContact NE-OE1 2.8Å; R16-E106 IonicContact NH2-OE1 3.23Å; R16-E106 PolarHBondContact NH2-OE1 3.34Å |
| 17 | K | 92.2 | Very high | 89.9 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.5 | 167.9 | -53.1 | -173.5 | -153.8 | 147.6 | 0 | 110.4 | K19 H20 G21 F26 Y41 F101 | K17-K19 VanDerWaalsContact C-N 3.34Å; K17-K19 PolarHBondContact O-N 3.2Å; K17-H20 WeakPolarHBondContact CD-NE2 3.46Å; K17-H20 WeakPolarHBondContact CE-NE2 3.28Å; K17-H20 PolarHBondContact NZ-NE2 2.97Å; K17-H20 PolarHBondContact O-N 3Å; K17-H20 VanDerWaalsContact O-N 3.13Å; K17-G21 PolarHBondContact O-N 3.35Å; K17-F26 HydrophobicContact CG-CZ 4.02Å; K17-Y41 VanDerWaalsContact CE-CE2 3.44Å; K17-Y41 VanDerWaalsContact NZ-CE2 3.3Å; K17-Y41 PolarHBondContact NZ-OH 2.66Å; K17-F101 HydrophobicContact CD-CE2 4Å; K17-F101 HydrophobicContact CD-CZ 4.06Å; K17-F101 HydrophobicContact CG-CZ 4.49Å |
| 18 | Q | 88.9 | Confident | 91.1 | Very high | 45 Ų | 45 | 47.1 Ų | 47.1 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -54.5 | 178.6 | -172.9 | -164.2 | 36.5 | 0 | 0 | 111.8 | H20 D85 L91 A102 V104 | Q18-H20 PolarHBondContact O-N 3.04Å; Q18-D85 PolarHBondContact NE2-OD2 3.49Å; Q18-L91 HydrophobicContact CB-CD2 3.74Å; Q18-L91 HydrophobicContact CG-CD2 3.77Å; Q18-A102 HydrophobicContact CB-CB 4.01Å; Q18-A102 PolarHBondContact N-O 3.17Å; Q18-V104 HydrophobicContact CB-CG2 4.1Å |
| 19 | K | 82.8 | Confident | 91.5 | Very high | 103 Ų | 103 | 47.8 Ų | 47.8 | 45% | 0.448 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14.5 | -175.5 | -180 | 170.2 | 169.5 | 170.7 | 0 | 115.8 | K17 P568 S569 S570 | K17-K19 VanDerWaalsContact C-N 3.34Å; K17-K19 PolarHBondContact O-N 3.2Å; K19-P568 WeakPolarHBondContact CE-O 3.45Å; K19-P568 HydrophobicContact CG-CB 4.21Å; K19-P568 HydrophobicContact CG-CG 4.17Å; K19-P568 PolarHBondContact NZ-O 3.14Å; K19-S569 VanDerWaalsContact CE-O 3.29Å; K19-S569 WeakPolarHBondContact CE-O 3.37Å; K19-S569 PolarHBondContact NZ-O 3.48Å; K19-S570 PolarHBondContact NZ-O 3.33Å |
| 20 | H | 82.4 | Confident | 91.5 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148 | 2.3 | -176.8 | 72.5 | 24.5 | 0 | 0 | 0 | 117.2 | K17 Q18 H22 P568 | K17-H20 WeakPolarHBondContact CD-NE2 3.46Å; K17-H20 WeakPolarHBondContact CE-NE2 3.28Å; K17-H20 PolarHBondContact NZ-NE2 2.97Å; K17-H20 PolarHBondContact O-N 3Å; K17-H20 VanDerWaalsContact O-N 3.13Å; Q18-H20 PolarHBondContact O-N 3.04Å; H20-H22 AromaticContact CD2-ND1 3.43Å; H20-H22 PolarHBondContact CD2-ND1 3.19Å; H20-H22 AromaticContact CE1-CG 3.93Å; H20-H22 AromaticContact CE1-ND1 3.5Å; H20-H22 PolarHBondContact CE1-ND1 3.47Å; H20-H22 PolarHBondContact CE1-O 2.86Å; H20-H22 AromaticContact CG-CE1 3.97Å; H20-H22 AromaticContact CG-ND1 3.19Å; H20-H22 AromaticContact ND1-CG 3.74Å; H20-H22 PolarHBondContact ND1-N 3.22Å; H20-H22 AromaticContact ND1-ND1 3.23Å; H20-H22 PolarHBondContact ND1-ND1 2.75Å; H20-H22 AromaticContact NE2-ND1 3.62Å; H20-H22 PolarHBondContact O-N 2.85Å; H20-H22 PolarHBondContact O-ND1 2.67Å; H20-P568 HydrophobicContact CB-CG 4.13Å |
| 21 | G | 85.8 | Confident | 91.4 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 44% | 0.443 | 23% | 0.225 | S | C | . | . | trans | 67.9 | -30.7 | 178 | 0 | 0 | 0 | 0 | 0 | 117.1 | R16 K17 K23 | R16-G21 WeakPolarHBondContact CG-O 3.44Å; K17-G21 PolarHBondContact O-N 3.35Å; G21-K23 PolarHBondContact O-N 3.18Å | ||
| 22 | H | 91 | Very high | 91.1 | Very high | 101 Ų | 101 | 43 Ų | 43 | 47% | 0.468 | 23% | 0.228 | S | C | . | . | trans | -56.8 | 129.1 | -175.6 | -43.6 | 111.5 | 0 | 0 | 0 | 112.5 | H20 | H20-H22 AromaticContact CD2-ND1 3.43Å; H20-H22 PolarHBondContact CD2-ND1 3.19Å; H20-H22 AromaticContact CE1-CG 3.93Å; H20-H22 AromaticContact CE1-ND1 3.5Å; H20-H22 PolarHBondContact CE1-ND1 3.47Å; H20-H22 PolarHBondContact CE1-O 2.86Å; H20-H22 AromaticContact CG-CE1 3.97Å; H20-H22 AromaticContact CG-ND1 3.19Å; H20-H22 AromaticContact ND1-CG 3.74Å; H20-H22 PolarHBondContact ND1-N 3.22Å; H20-H22 AromaticContact ND1-ND1 3.23Å; H20-H22 PolarHBondContact ND1-ND1 2.75Å; H20-H22 AromaticContact NE2-ND1 3.62Å; H20-H22 PolarHBondContact O-N 2.85Å; H20-H22 PolarHBondContact O-ND1 2.67Å | ||
| 23 | K | 93.5 | Very high | 90.1 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 34% | 0.343 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 135 | 167.6 | -160.2 | 159.3 | -175.6 | 165.3 | 0 | 109.6 | Y14 L15 R16 G21 E106 | Y14-K23 HydrophobicContact CD1-CG 4.14Å; Y14-K23 HydrophobicContact CG-CG 4.47Å; Y14-K23 VanDerWaalsContact O-CE 3.25Å; Y14-K23 WeakPolarHBondContact O-CE 3.49Å; L15-K23 WeakPolarHBondContact O-CA 3.17Å; R16-K23 HydrophobicContact CG-CB 4.12Å; R16-K23 HydrophobicContact CG-CG 4.34Å; G21-K23 PolarHBondContact O-N 3.18Å; K23-E106 WeakPolarHBondContact CE-OE1 3.49Å; K23-E106 IonicContact NZ-OE1 2.89Å; K23-E106 PolarHBondContact NZ-OE1 2.97Å; K23-E106 IonicContact NZ-OE2 2.76Å; K23-E106 PolarHBondContact NZ-OE2 2.98Å |
| 24 | R | 94.4 | Very high | 89.4 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 153 | -179 | -66.6 | -66 | 166.9 | -127.2 | -0.4 | 108.8 | Y14 L15 F26 Y41 Y42 D43 | Y14-R24 CarbonylContact C-O 3.44Å; Y14-R24 WeakPolarHBondContact CA-O 3.5Å; L15-R24 PolarHBondContact N-O 3.2Å; L15-R24 PolarHBondContact O-N 3.15Å; L15-R24 VanDerWaalsContact O-O 3.06Å; R24-F26 HydrophobicContact CB-CD2 4.31Å; R24-F26 HydrophobicContact CB-CE2 3.85Å; R24-F26 WeakPolarHBondContact O-CD2 3.45Å; R24-Y41 HydrophobicContact CB-CD2 4.12Å; R24-Y41 HydrophobicContact CG-CD2 4.19Å; R24-Y42 WeakPolarHBondContact CB-O 3.44Å; R24-Y42 WeakPolarHBondContact CD-O 3.34Å; R24-D43 IonicContact CZ-OD1 2.77Å; R24-D43 IonicContact NE-OD1 2.82Å; R24-D43 PolarHBondContact NH1-O 3.11Å; R24-D43 IonicContact NH1-OD1 2.71Å |
| 25 | F | 94.7 | Very high | 88.8 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 4% | 0.044 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 112 | 177.9 | -168.9 | -101.4 | 0 | 0 | 0 | 109.4 | C12 G13 Y14 V27 Y41 Y42 E45 F48 | C12-F25 HydrophobicContact CB-CE1 3.85Å; C12-F25 HydrophobicContact CB-CZ 3.64Å; G13-F25 CarbonylContact O-C 3.6Å; G13-F25 WeakPolarHBondContact O-CA 3.47Å; G13-F25 WeakPolarHBondContact O-CD2 3.37Å; Y14-F25 HydrophobicContact CD1-CB 4.05Å; Y14-F25 HydrophobicContact CD1-CD2 4.06Å; Y14-F25 AromaticContact CD2-CD2 3.69Å; Y14-F25 HydrophobicContact CD2-CD2 3.69Å; Y14-F25 HydrophobicContact CD2-CE2 4.18Å; Y14-F25 HydrophobicContact CE1-CB 3.9Å; Y14-F25 HydrophobicContact CE1-CD2 4.08Å; Y14-F25 HydrophobicContact CE1-CG 4.47Å; Y14-F25 AromaticContact CE2-CD2 3.68Å; Y14-F25 HydrophobicContact CE2-CD2 3.68Å; Y14-F25 HydrophobicContact CE2-CE2 4.18Å; Y14-F25 AromaticContact CG-CD2 3.89Å; Y14-F25 HydrophobicContact CG-CD2 3.89Å; Y14-F25 AromaticContact CZ-CD2 3.9Å; F25-V27 HydrophobicContact CD1-CG2 3.75Å; F25-V27 HydrophobicContact CE1-CG2 3.62Å; F25-Y41 CarbonylContact O-C 3.6Å; F25-Y41 VanDerWaalsContact O-CA 3.23Å; F25-Y41 WeakPolarHBondContact O-CA 3.23Å; F25-Y42 PolarHBondContact N-O 3.44Å; F25-Y42 PolarHBondContact O-N 2.72Å; F25-E45 HydrophobicContact CB-CB 4.38Å; F25-E45 HydrophobicContact CD1-CB 4.22Å; F25-E45 HydrophobicContact CD2-CB 3.59Å; F25-E45 HydrophobicContact CD2-CG 4.05Å; F25-E45 HydrophobicContact CE1-CB 4.41Å; F25-E45 HydrophobicContact CE1-CG 4.23Å; F25-E45 HydrophobicContact CE2-CB 3.82Å; F25-E45 HydrophobicContact CE2-CG 3.72Å; F25-E45 HydrophobicContact CG-CB 3.79Å; F25-E45 HydrophobicContact CG-CG 4.43Å; F25-E45 HydrophobicContact CZ-CB 4.22Å; F25-E45 HydrophobicContact CZ-CG 3.81Å; F25-F48 HydrophobicContact CD1-CB 3.82Å; F25-F48 AromaticContact CD1-CD1 3.99Å; F25-F48 HydrophobicContact CD1-CD1 3.99Å; F25-F48 AromaticContact CD1-CG 4Å; F25-F48 HydrophobicContact CD1-CG 4Å; F25-F48 HydrophobicContact CE1-CB 4.12Å; F25-F48 AromaticContact CE1-CD1 3.37Å; F25-F48 HydrophobicContact CE1-CD1 3.37Å; F25-F48 AromaticContact CE1-CE1 3.96Å; F25-F48 HydrophobicContact CE1-CE1 3.96Å; F25-F48 AromaticContact CE1-CG 3.84Å; F25-F48 HydrophobicContact CE1-CG 3.84Å; F25-F48 HydrophobicContact CZ-CD1 4.27Å |
| 26 | F | 95.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 146.1 | 178.6 | -76.3 | -97.8 | 0 | 0 | 0 | 110.6 | C12 G13 L15 K17 R24 L39 E40 Y41 F101 I103 W114 | C12-F26 VanDerWaalsContact CA-O 3.26Å; C12-F26 WeakPolarHBondContact CA-O 3.48Å; C12-F26 WeakPolarHBondContact CB-O 3.49Å; G13-F26 PolarHBondContact N-O 2.82Å; G13-F26 PolarHBondContact O-N 3.37Å; L15-F26 HydrophobicContact CB-CD2 3.6Å; L15-F26 HydrophobicContact CB-CE2 3.8Å; L15-F26 HydrophobicContact CB-CG 4.37Å; L15-F26 HydrophobicContact CD1-CB 4.41Å; L15-F26 HydrophobicContact CD1-CD2 4.31Å; L15-F26 HydrophobicContact CD1-CG 4.26Å; L15-F26 HydrophobicContact CG-CD2 4.24Å; K17-F26 HydrophobicContact CG-CZ 4.02Å; R24-F26 HydrophobicContact CB-CD2 4.31Å; R24-F26 HydrophobicContact CB-CE2 3.85Å; R24-F26 WeakPolarHBondContact O-CD2 3.45Å; F26-L39 HydrophobicContact CB-CD1 4.41Å; F26-L39 HydrophobicContact CD1-CD1 4.01Å; F26-L39 HydrophobicContact CD1-CD2 4.27Å; F26-L39 HydrophobicContact CD1-CG 4.12Å; F26-E40 WeakPolarHBondContact CA-O 3.47Å; F26-Y41 HydrophobicContact CD1-CD1 4.39Å; F26-Y41 HydrophobicContact CD1-CG 4.38Å; F26-Y41 AromaticContact CE1-CD1 3.69Å; F26-Y41 HydrophobicContact CE1-CD1 3.69Å; F26-Y41 AromaticContact CE1-CG 3.92Å; F26-Y41 HydrophobicContact CE1-CG 3.92Å; F26-Y41 HydrophobicContact CZ-CD1 4.04Å; F26-Y41 HydrophobicContact CZ-CG 4.04Å; F26-F101 AromaticContact CE1-CE1 3.93Å; F26-F101 HydrophobicContact CE1-CE1 3.93Å; F26-F101 AromaticContact CE1-CZ 3.96Å; F26-F101 HydrophobicContact CE1-CZ 3.96Å; F26-F101 HydrophobicContact CZ-CE1 4.45Å; F26-F101 HydrophobicContact CZ-CZ 4.21Å; F26-I103 HydrophobicContact CD1-CG2 4.46Å; F26-I103 HydrophobicContact CE1-CG2 3.61Å; F26-I103 HydrophobicContact CE2-CG2 4.36Å; F26-I103 HydrophobicContact CZ-CG2 3.54Å; F26-W114 HydrophobicContact CB-CH2 3.61Å; F26-W114 HydrophobicContact CB-CZ2 4.27Å; F26-W114 HydrophobicContact CB-CZ3 4.09Å |
| 27 | V | 94.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 114.8 | 178.7 | -173.1 | 0 | 0 | 0 | 0 | 107.6 | I9 C12 F25 R29 E40 Y42 F48 | I9-V27 HydrophobicContact CG1-CG1 4.37Å; I9-V27 HydrophobicContact CG2-CG1 3.89Å; C12-V27 HydrophobicContact CB-CG1 4.43Å; C12-V27 HydrophobicContact CB-CG2 4.21Å; F25-V27 HydrophobicContact CD1-CG2 3.75Å; F25-V27 HydrophobicContact CE1-CG2 3.62Å; V27-R29 HydrophobicContact CG1-CG 4.15Å; V27-E40 HydrophobicContact CB-CB 4.44Å; V27-E40 PolarHBondContact N-O 3.36Å; V27-E40 PolarHBondContact O-N 3.43Å; V27-Y42 HydrophobicContact CB-CE2 4.45Å; V27-Y42 HydrophobicContact CG2-CD2 4.06Å; V27-Y42 HydrophobicContact CG2-CE2 3.94Å; V27-F48 HydrophobicContact CB-CE2 4.41Å; V27-F48 HydrophobicContact CG1-CE2 3.97Å; V27-F48 HydrophobicContact CG1-CZ 4.04Å; V27-F48 HydrophobicContact CG2-CD1 4.29Å; V27-F48 HydrophobicContact CG2-CD2 3.74Å; V27-F48 HydrophobicContact CG2-CE1 4.3Å; V27-F48 HydrophobicContact CG2-CE2 3.76Å; V27-F48 HydrophobicContact CG2-CG 3.99Å; V27-F48 HydrophobicContact CG2-CZ 4.05Å |
| 28 | L | 93.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.3 | 174.4 | -178.6 | 66.6 | 0 | 0 | 0 | 108.3 | R10 K11 L39 L74 W114 A117 I118 L121 | R10-L28 HydrophobicContact CB-CD2 4.49Å; R10-L28 PolarHBondContact N-O 3.49Å; K11-L28 HydrophobicContact CB-CB 4.18Å; K11-L28 HydrophobicContact CB-CD2 4.26Å; K11-L28 PolarHBondContact N-O 2.98Å; K11-L28 PolarHBondContact O-N 3.32Å; L28-L39 HydrophobicContact CB-CD1 4.23Å; L28-L39 HydrophobicContact CD1-CB 4.33Å; L28-L39 HydrophobicContact CD1-CD1 4.22Å; L28-L74 HydrophobicContact CD1-CD1 3.99Å; L28-W114 HydrophobicContact CB-CZ3 3.94Å; L28-A117 HydrophobicContact CD2-CB 3.66Å; L28-I118 HydrophobicContact CD1-CG1 3.91Å; L28-I118 HydrophobicContact CD2-CG1 3.91Å; L28-L121 HydrophobicContact CD1-CD1 3.91Å; L28-L121 HydrophobicContact CD2-CD1 3.85Å; L28-L121 HydrophobicContact CG-CD1 3.59Å |
| 29 | R | 91.8 | Very high | 88.7 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 6% | 0.06 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.4 | 179.4 | -63.9 | 175.2 | 179.2 | -81.5 | 2.2 | 111.4 | D8 V27 S37 R38 E40 | D8-R29 CarbonylContact O-C 3.52Å; D8-R29 WeakPolarHBondContact O-CA 3.11Å; D8-R29 WeakPolarHBondContact O-CB 3.47Å; D8-R29 IonicContact OD1-CZ 3.75Å; D8-R29 IonicContact OD1-NH1 2.73Å; D8-R29 PolarHBondContact OD1-NH1 3.49Å; D8-R29 VanDerWaalsContact OD2-CD 3.29Å; D8-R29 WeakPolarHBondContact OD2-CD 3.03Å; D8-R29 IonicContact OD2-CZ 2.72Å; D8-R29 IonicContact OD2-NE 3.77Å; D8-R29 IonicContact OD2-NH1 3.53Å; D8-R29 PolarHBondContact OD2-NH1 3.34Å; V27-R29 HydrophobicContact CG1-CG 4.15Å; R29-S37 VanDerWaalsContact O-CA 3.27Å; R29-S37 WeakPolarHBondContact O-CA 2.82Å; R29-S37 WeakPolarHBondContact O-CB 3.41Å; R29-S37 PolarHBondContact O-OG 2.77Å; R29-R38 HydrophobicContact CB-CG 4.07Å; R29-R38 VanDerWaalsContact CD-CZ 3.45Å; R29-R38 PolarHBondContact N-O 3.32Å; R29-R38 PolarHBondContact O-N 3.12Å; R29-E40 IonicContact CZ-OE2 3.14Å; R29-E40 IonicContact NE-OE1 3.21Å; R29-E40 PolarHBondContact NE-OE1 3.36Å; R29-E40 IonicContact NE-OE2 2.65Å; R29-E40 PolarHBondContact NE-OE2 3.23Å; R29-E40 IonicContact NH2-OE2 2.62Å |
| 30 | A | 91 | Very high | 89.2 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | trans | -66.9 | 175.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | D8 S37 L121 | D8-A30 PolarHBondContact O-N 3.16Å; A30-S37 WeakPolarHBondContact O-CA 3.35Å; A30-L121 HydrophobicContact CB-CD2 4Å | ||
| 31 | A | 87.9 | Confident | 89.7 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -79.2 | 130.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 32 | S | 84.6 | Confident | 90.1 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | B | Isolated β-bridge | trans | -149.7 | -177.3 | -179.6 | 75.2 | 0 | 0 | 0 | 0 | 111.4 | D8 L34 G35 | D8-S32 WeakPolarHBondContact CB-OG 3.29Å; S32-L34 PolarHBondContact O-N 2.78Å; S32-L34 VanDerWaalsContact O-N 3.12Å; S32-L34 WeakPolarHBondContact OG-CB 3.46Å; S32-L34 PolarHBondContact OG-N 3.4Å; S32-L34 VanDerWaalsContact OG-N 3.11Å; S32-G35 PolarHBondContact N-O 3.26Å; S32-G35 CarbonylContact O-C 3.58Å; S32-G35 PolarHBondContact O-N 2.82Å |
| 33 | H | 73.8 | Confident | 90.1 | Very high | 131 Ų | 131 | 31.5 Ų | 31.5 | 61% | 0.606 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.1 | 170 | 67.7 | -85.4 | 0 | 0 | 0 | 113.1 | E4 G35 | E4-H33 PolarHBondContact O-CE1 3.02Å; H33-G35 PolarHBondContact O-N 3.15Å |
| 34 | L | 77.3 | Confident | 90 | Very high | 69 Ų | 69 | 29.6 Ų | 29.6 | 36% | 0.361 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 5.6 | 172.1 | -55.6 | 179.4 | 0 | 0 | 0 | 113.3 | V5 S32 R38 | V5-L34 HydrophobicContact CG1-CD1 4.15Å; S32-L34 PolarHBondContact O-N 2.78Å; S32-L34 VanDerWaalsContact O-N 3.12Å; S32-L34 WeakPolarHBondContact OG-CB 3.46Å; S32-L34 PolarHBondContact OG-N 3.4Å; S32-L34 VanDerWaalsContact OG-N 3.11Å; L34-R38 PolarHBondContact O-NH2 3.19Å |
| 35 | G | 82.8 | Confident | 89.8 | Confident | 24 Ų | 24 | 29.8 Ų | 29.8 | 25% | 0.247 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | 111.6 | 179.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S32 H33 R38 | S32-G35 PolarHBondContact N-O 3.26Å; S32-G35 CarbonylContact O-C 3.58Å; S32-G35 PolarHBondContact O-N 2.82Å; H33-G35 PolarHBondContact O-N 3.15Å; G35-R38 PolarHBondContact O-NH1 3.5Å |
| 36 | P | 87.8 | Confident | 89.6 | Confident | 59 Ų | 59 | 37.1 Ų | 37.1 | 38% | 0.383 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -65.5 | 158.4 | -173.4 | 26 | -34.8 | 0 | 0 | 0 | 113.3 | R38 Y73 Y75 | P36-R38 WeakPolarHBondContact O-CD 3.29Å; P36-R38 WeakPolarHBondContact O-CG 3.38Å; P36-R38 PolarHBondContact O-NH1 3.23Å; P36-Y73 HydrophobicContact CG-CD1 3.86Å; P36-Y73 HydrophobicContact CG-CE1 4.02Å; P36-Y75 HydrophobicContact CB-CD1 3.95Å; P36-Y75 HydrophobicContact CB-CE1 3.95Å; P36-Y75 HydrophobicContact CG-CD1 4.29Å; P36-Y75 HydrophobicContact CG-CE1 3.77Å |
| 37 | S | 91.3 | Very high | 89.2 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | trans | -58.2 | 137.2 | 178.6 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | R29 A30 L74 | R29-S37 VanDerWaalsContact O-CA 3.27Å; R29-S37 WeakPolarHBondContact O-CA 2.82Å; R29-S37 WeakPolarHBondContact O-CB 3.41Å; R29-S37 PolarHBondContact O-OG 2.77Å; A30-S37 WeakPolarHBondContact O-CA 3.35Å; S37-L74 PolarHBondContact O-N 2.95Å; S37-L74 VanDerWaalsContact OG-CD1 3.23Å; S37-L74 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 38 | R | 92.6 | Very high | 88.9 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 145.2 | -166.8 | 58.4 | -164.6 | -175.8 | -85 | 2.5 | 112.8 | D8 R29 L34 G35 P36 E40 V71 I72 Y73 | D8-R38 IonicContact OD2-NH2 2.66Å; R29-R38 HydrophobicContact CB-CG 4.07Å; R29-R38 VanDerWaalsContact CD-CZ 3.45Å; R29-R38 PolarHBondContact N-O 3.32Å; R29-R38 PolarHBondContact O-N 3.12Å; L34-R38 PolarHBondContact O-NH2 3.19Å; G35-R38 PolarHBondContact O-NH1 3.5Å; P36-R38 WeakPolarHBondContact O-CD 3.29Å; P36-R38 WeakPolarHBondContact O-CG 3.38Å; P36-R38 PolarHBondContact O-NH1 3.23Å; R38-E40 HydrophobicContact CG-CG 4.18Å; R38-E40 IonicContact CZ-OE1 3.08Å; R38-E40 IonicContact NE-OE1 2.73Å; R38-E40 PolarHBondContact NE-OE1 3.12Å; R38-E40 IonicContact NH2-OE1 2.84Å; R38-V71 HydrophobicContact CB-CG1 3.82Å; R38-V71 HydrophobicContact CG-CG1 4.16Å; R38-I72 CarbonylContact C-O 3.58Å; R38-I72 VanDerWaalsContact CA-O 3.27Å; R38-I72 WeakPolarHBondContact CA-O 3.42Å; R38-Y73 HydrophobicContact CB-CD1 3.87Å; R38-Y73 HydrophobicContact CB-CE1 4.35Å |
| 39 | L | 93.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.8 | 167.7 | -178 | 65.4 | 0 | 0 | 0 | 109.3 | F26 L28 I72 L74 L94 I103 W114 I118 | F26-L39 HydrophobicContact CB-CD1 4.41Å; F26-L39 HydrophobicContact CD1-CD1 4.01Å; F26-L39 HydrophobicContact CD1-CD2 4.27Å; F26-L39 HydrophobicContact CD1-CG 4.12Å; L28-L39 HydrophobicContact CB-CD1 4.23Å; L28-L39 HydrophobicContact CD1-CB 4.33Å; L28-L39 HydrophobicContact CD1-CD1 4.22Å; L39-I72 PolarHBondContact N-O 3.31Å; L39-I72 PolarHBondContact O-N 2.93Å; L39-L74 HydrophobicContact CB-CD2 4.33Å; L39-L94 HydrophobicContact CD2-CD1 4.32Å; L39-L94 HydrophobicContact CD2-CD2 3.84Å; L39-I103 HydrophobicContact CD2-CD1 4.14Å; L39-W114 HydrophobicContact CD1-CZ3 3.97Å; L39-I118 HydrophobicContact CD2-CD1 4.31Å |
| 40 | E | 93.5 | Very high | 88.3 | Confident | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 156.4 | 176 | -55 | -176.8 | 166.4 | 0 | 0 | 110.3 | F26 V27 R29 R38 Y42 P68 V71 | F26-E40 WeakPolarHBondContact CA-O 3.47Å; V27-E40 HydrophobicContact CB-CB 4.44Å; V27-E40 PolarHBondContact N-O 3.36Å; V27-E40 PolarHBondContact O-N 3.43Å; R29-E40 IonicContact CZ-OE2 3.14Å; R29-E40 IonicContact NE-OE1 3.21Å; R29-E40 PolarHBondContact NE-OE1 3.36Å; R29-E40 IonicContact NE-OE2 2.65Å; R29-E40 PolarHBondContact NE-OE2 3.23Å; R29-E40 IonicContact NH2-OE2 2.62Å; R38-E40 HydrophobicContact CG-CG 4.18Å; R38-E40 IonicContact CZ-OE1 3.08Å; R38-E40 IonicContact NE-OE1 2.73Å; R38-E40 PolarHBondContact NE-OE1 3.12Å; R38-E40 IonicContact NH2-OE1 2.84Å; E40-Y42 HydrophobicContact CB-CE2 4.03Å; E40-Y42 PolarHBondContact OE2-OH 3.2Å; E40-P68 HydrophobicContact CB-CB 4.08Å; E40-V71 HydrophobicContact CG-CG1 4.35Å; E40-V71 HydrophobicContact CG-CG2 4.22Å |
| 41 | Y | 93.6 | Very high | 87.8 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 150.8 | 162.2 | 73.2 | -97.5 | 0 | 0 | 0 | 114.3 | K17 R24 F25 F26 P68 K69 R70 F101 | K17-Y41 VanDerWaalsContact CE-CE2 3.44Å; K17-Y41 VanDerWaalsContact NZ-CE2 3.3Å; K17-Y41 PolarHBondContact NZ-OH 2.66Å; R24-Y41 HydrophobicContact CB-CD2 4.12Å; R24-Y41 HydrophobicContact CG-CD2 4.19Å; F25-Y41 CarbonylContact O-C 3.6Å; F25-Y41 VanDerWaalsContact O-CA 3.23Å; F25-Y41 WeakPolarHBondContact O-CA 3.23Å; F26-Y41 HydrophobicContact CD1-CD1 4.39Å; F26-Y41 HydrophobicContact CD1-CG 4.38Å; F26-Y41 AromaticContact CE1-CD1 3.69Å; F26-Y41 HydrophobicContact CE1-CD1 3.69Å; F26-Y41 AromaticContact CE1-CG 3.92Å; F26-Y41 HydrophobicContact CE1-CG 3.92Å; F26-Y41 HydrophobicContact CZ-CD1 4.04Å; F26-Y41 HydrophobicContact CZ-CG 4.04Å; Y41-P68 CarbonylContact O-C 3.52Å; Y41-K69 HydrophobicContact CD2-CB 3.96Å; Y41-K69 HydrophobicContact CE2-CB 3.4Å; Y41-K69 HydrophobicContact CE2-CD 4.47Å; Y41-K69 PolarHBondContact O-N 2.94Å; Y41-R70 HydrophobicContact CD1-CB 4.24Å; Y41-R70 HydrophobicContact CE1-CB 3.45Å; Y41-R70 VanDerWaalsContact CE1-CB 3.45Å; Y41-R70 HydrophobicContact CE1-CG 4.41Å; Y41-R70 PolarHBondContact N-O 2.81Å; Y41-F101 HydrophobicContact CD1-CZ 4.09Å; Y41-F101 HydrophobicContact CE1-CE2 4.18Å; Y41-F101 AromaticContact CE1-CZ 3.88Å; Y41-F101 HydrophobicContact CE1-CZ 3.88Å |
| 42 | Y | 93.2 | Very high | 87.6 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 164 | -177 | -59.5 | -100.2 | 0 | 0 | 0 | 109.9 | R24 F25 V27 E40 S44 F48 P68 | R24-Y42 WeakPolarHBondContact CB-O 3.44Å; R24-Y42 WeakPolarHBondContact CD-O 3.34Å; F25-Y42 PolarHBondContact N-O 3.44Å; F25-Y42 PolarHBondContact O-N 2.72Å; V27-Y42 HydrophobicContact CB-CE2 4.45Å; V27-Y42 HydrophobicContact CG2-CD2 4.06Å; V27-Y42 HydrophobicContact CG2-CE2 3.94Å; E40-Y42 HydrophobicContact CB-CE2 4.03Å; E40-Y42 PolarHBondContact OE2-OH 3.2Å; Y42-S44 VanDerWaalsContact C-N 3.27Å; Y42-S44 PolarHBondContact O-N 3.41Å; Y42-F48 HydrophobicContact CD1-CB 4.28Å; Y42-F48 HydrophobicContact CD2-CB 3.92Å; Y42-F48 HydrophobicContact CD2-CD2 4.01Å; Y42-F48 HydrophobicContact CD2-CG 4.32Å; Y42-F48 HydrophobicContact CE1-CD2 4.41Å; Y42-F48 HydrophobicContact CE2-CB 4.34Å; Y42-F48 AromaticContact CE2-CD2 3.59Å; Y42-F48 HydrophobicContact CE2-CD2 3.59Å; Y42-F48 HydrophobicContact CE2-CE2 4.37Å; Y42-F48 HydrophobicContact CE2-CG 4.34Å; Y42-F48 HydrophobicContact CG-CB 3.92Å; Y42-F48 AromaticContact CZ-CD2 3.81Å; Y42-P68 HydrophobicContact CD1-CB 4.47Å; Y42-P68 HydrophobicContact CE1-CB 3.93Å; Y42-P68 HydrophobicContact CE2-CB 4.08Å |
| 43 | D | 90.9 | Very high | 87.3 | Confident | 34 Ų | 34 | 54.9 Ų | 54.9 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -62.4 | -36.7 | 176.1 | -78.1 | -48.1 | 0 | 0 | 0 | 112.9 | R24 K47 K69 | R24-D43 IonicContact CZ-OD1 2.77Å; R24-D43 IonicContact NE-OD1 2.82Å; R24-D43 PolarHBondContact NH1-O 3.11Å; R24-D43 IonicContact NH1-OD1 2.71Å; D43-K47 HydrophobicContact CB-CD 4.06Å; D43-K47 IonicContact OD2-NZ 2.75Å; D43-K47 PolarHBondContact OD2-NZ 2.79Å; D43-K69 VanDerWaalsContact CG-NZ 3.3Å; D43-K69 WeakPolarHBondContact OD1-CD 3.1Å; D43-K69 WeakPolarHBondContact OD1-CE 3.42Å; D43-K69 IonicContact OD1-NZ 2.67Å; D43-K69 PolarHBondContact OD1-NZ 2.81Å; D43-K69 WeakPolarHBondContact OD2-CE 3.39Å; D43-K69 IonicContact OD2-NZ 3.19Å; D43-K69 PolarHBondContact OD2-NZ 3.1Å |
| 44 | S | 90.6 | Very high | 87.2 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | trans | -158.6 | 151 | -178.1 | 165.4 | 0 | 0 | 0 | 0 | 108.8 | Y14 Y42 K46 K47 F48 | Y14-S44 PolarHBondContact OH-OG 2.8Å; Y42-S44 VanDerWaalsContact C-N 3.27Å; Y42-S44 PolarHBondContact O-N 3.41Å; S44-K46 PolarHBondContact O-N 3.44Å; S44-K46 PolarHBondContact OG-N 2.91Å; S44-K47 WeakPolarHBondContact O-CB 3.42Å; S44-K47 PolarHBondContact O-N 2.71Å; S44-F48 PolarHBondContact O-N 2.73Å | ||
| 45 | E | 91.8 | Very high | 86.8 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -49.4 | -34.3 | 169.7 | -174 | -147.5 | 126.1 | 0 | 0 | 112.9 | Y14 F25 K47 F48 R49 | Y14-E45 HydrophobicContact CE2-CB 3.89Å; Y14-E45 WeakPolarHBondContact OH-CB 3.2Å; Y14-E45 PolarHBondContact OH-N 2.85Å; Y14-E45 VanDerWaalsContact OH-N 3.12Å; F25-E45 HydrophobicContact CB-CB 4.38Å; F25-E45 HydrophobicContact CD1-CB 4.22Å; F25-E45 HydrophobicContact CD2-CB 3.59Å; F25-E45 HydrophobicContact CD2-CG 4.05Å; F25-E45 HydrophobicContact CE1-CB 4.41Å; F25-E45 HydrophobicContact CE1-CG 4.23Å; F25-E45 HydrophobicContact CE2-CB 3.82Å; F25-E45 HydrophobicContact CE2-CG 3.72Å; F25-E45 HydrophobicContact CG-CB 3.79Å; F25-E45 HydrophobicContact CG-CG 4.43Å; F25-E45 HydrophobicContact CZ-CB 4.22Å; F25-E45 HydrophobicContact CZ-CG 3.81Å; E45-K47 VanDerWaalsContact C-N 3.27Å; E45-K47 PolarHBondContact O-N 3.3Å; E45-F48 CarbonylContact O-C 3.5Å; E45-F48 WeakPolarHBondContact O-CB 3.47Å; E45-F48 PolarHBondContact O-N 2.72Å; E45-F48 VanDerWaalsContact O-N 3.12Å; E45-R49 HydrophobicContact CG-CG 4.49Å; E45-R49 PolarHBondContact O-N 2.89Å; E45-R49 IonicContact OE1-CZ 3.54Å; E45-R49 IonicContact OE1-NE 3.73Å; E45-R49 PolarHBondContact OE1-NE 3.23Å; E45-R49 IonicContact OE1-NH2 3.62Å; E45-R49 PolarHBondContact OE1-NH2 3.09Å |
| 46 | K | 89.5 | Confident | 85.8 | Confident | 165 Ų | 165 | 49.7 Ų | 49.7 | 72% | 0.717 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.3 | -34 | 176.4 | -174.4 | 173.8 | 179.9 | 176.6 | 0 | 112.1 | S44 N50 | S44-K46 PolarHBondContact O-N 3.44Å; S44-K46 PolarHBondContact OG-N 2.91Å; K46-N50 WeakPolarHBondContact O-CB 3.18Å; K46-N50 PolarHBondContact O-N 2.63Å; K46-N50 VanDerWaalsContact O-N 3.15Å |
| 47 | K | 87.8 | Confident | 84.6 | Confident | 95 Ų | 95 | 49.4 Ų | 49.4 | 41% | 0.413 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -72.3 | -42.2 | 172.6 | -67.2 | -160.6 | -173.2 | 178.8 | 0 | 111.1 | D43 S44 E45 N50 S51 S66 | D43-K47 HydrophobicContact CB-CD 4.06Å; D43-K47 IonicContact OD2-NZ 2.75Å; D43-K47 PolarHBondContact OD2-NZ 2.79Å; S44-K47 WeakPolarHBondContact O-CB 3.42Å; S44-K47 PolarHBondContact O-N 2.71Å; E45-K47 VanDerWaalsContact C-N 3.27Å; E45-K47 PolarHBondContact O-N 3.3Å; K47-N50 WeakPolarHBondContact O-CB 3.49Å; K47-N50 PolarHBondContact O-N 3.25Å; K47-S51 WeakPolarHBondContact O-CB 3.5Å; K47-S51 PolarHBondContact O-N 2.86Å; K47-S66 PolarHBondContact O-OG 3.05Å |
| 48 | F | 88.4 | Confident | 82.8 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.7 | -54.7 | 174.7 | 169 | -112.2 | 0 | 0 | 0 | 112.2 | I9 F25 V27 Y42 S44 E45 N50 S51 L52 | I9-F48 HydrophobicContact CD1-CZ 3.79Å; F25-F48 HydrophobicContact CD1-CB 3.82Å; F25-F48 AromaticContact CD1-CD1 3.99Å; F25-F48 HydrophobicContact CD1-CD1 3.99Å; F25-F48 AromaticContact CD1-CG 4Å; F25-F48 HydrophobicContact CD1-CG 4Å; F25-F48 HydrophobicContact CE1-CB 4.12Å; F25-F48 AromaticContact CE1-CD1 3.37Å; F25-F48 HydrophobicContact CE1-CD1 3.37Å; F25-F48 AromaticContact CE1-CE1 3.96Å; F25-F48 HydrophobicContact CE1-CE1 3.96Å; F25-F48 AromaticContact CE1-CG 3.84Å; F25-F48 HydrophobicContact CE1-CG 3.84Å; F25-F48 HydrophobicContact CZ-CD1 4.27Å; V27-F48 HydrophobicContact CB-CE2 4.41Å; V27-F48 HydrophobicContact CG1-CE2 3.97Å; V27-F48 HydrophobicContact CG1-CZ 4.04Å; V27-F48 HydrophobicContact CG2-CD1 4.29Å; V27-F48 HydrophobicContact CG2-CD2 3.74Å; V27-F48 HydrophobicContact CG2-CE1 4.3Å; V27-F48 HydrophobicContact CG2-CE2 3.76Å; V27-F48 HydrophobicContact CG2-CG 3.99Å; V27-F48 HydrophobicContact CG2-CZ 4.05Å; Y42-F48 HydrophobicContact CD1-CB 4.28Å; Y42-F48 HydrophobicContact CD2-CB 3.92Å; Y42-F48 HydrophobicContact CD2-CD2 4.01Å; Y42-F48 HydrophobicContact CD2-CG 4.32Å; Y42-F48 HydrophobicContact CE1-CD2 4.41Å; Y42-F48 HydrophobicContact CE2-CB 4.34Å; Y42-F48 AromaticContact CE2-CD2 3.59Å; Y42-F48 HydrophobicContact CE2-CD2 3.59Å; Y42-F48 HydrophobicContact CE2-CE2 4.37Å; Y42-F48 HydrophobicContact CE2-CG 4.34Å; Y42-F48 HydrophobicContact CG-CB 3.92Å; Y42-F48 AromaticContact CZ-CD2 3.81Å; S44-F48 PolarHBondContact O-N 2.73Å; E45-F48 CarbonylContact O-C 3.5Å; E45-F48 WeakPolarHBondContact O-CB 3.47Å; E45-F48 PolarHBondContact O-N 2.72Å; E45-F48 VanDerWaalsContact O-N 3.12Å; F48-N50 PolarHBondContact O-N 2.75Å; F48-N50 VanDerWaalsContact O-N 3.15Å; F48-S51 CarbonylContact O-C 3.57Å; F48-S51 WeakPolarHBondContact O-CA 3.46Å; F48-S51 WeakPolarHBondContact O-CB 3.39Å; F48-S51 PolarHBondContact O-N 2.98Å; F48-L52 HydrophobicContact CE1-CD2 4.44Å; F48-L52 HydrophobicContact CE2-CD1 4.29Å; F48-L52 HydrophobicContact CZ-CD1 4.2Å; F48-L52 HydrophobicContact CZ-CD2 4.2Å; F48-L52 WeakPolarHBondContact O-CB 3.33Å; F48-L52 PolarHBondContact O-N 2.79Å |
| 49 | R | 86.7 | Confident | 80.9 | Confident | 138 Ų | 138 | 57 Ų | 57 | 52% | 0.521 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -19.8 | 175.8 | -74.1 | -161.9 | -76.6 | 142.9 | -12.9 | 113.6 | E45 R53 | E45-R49 HydrophobicContact CG-CG 4.49Å; E45-R49 PolarHBondContact O-N 2.89Å; E45-R49 IonicContact OE1-CZ 3.54Å; E45-R49 IonicContact OE1-NE 3.73Å; E45-R49 PolarHBondContact OE1-NE 3.23Å; E45-R49 IonicContact OE1-NH2 3.62Å; E45-R49 PolarHBondContact OE1-NH2 3.09Å; R49-R53 PolarHBondContact O-NE 3.41Å; R49-R53 PolarHBondContact O-NH2 3.24Å |
| 50 | N | 84.8 | Confident | 78.5 | Confident | 64 Ų | 64 | 60.5 Ų | 60.5 | 34% | 0.342 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -76.5 | -53.5 | 167.7 | -157.8 | 69.3 | 0 | 0 | 0 | 110.5 | K46 K47 F48 L52 R53 T54 | K46-N50 WeakPolarHBondContact O-CB 3.18Å; K46-N50 PolarHBondContact O-N 2.63Å; K46-N50 VanDerWaalsContact O-N 3.15Å; K47-N50 WeakPolarHBondContact O-CB 3.49Å; K47-N50 PolarHBondContact O-N 3.25Å; F48-N50 PolarHBondContact O-N 2.75Å; F48-N50 VanDerWaalsContact O-N 3.15Å; N50-L52 PolarHBondContact O-N 2.89Å; N50-R53 PolarHBondContact O-N 2.66Å; N50-R53 PolarHBondContact OD1-NH2 3.49Å; N50-T54 WeakPolarHBondContact O-CB 3.45Å; N50-T54 PolarHBondContact O-N 3.03Å; N50-T54 PolarHBondContact O-OG1 3.19Å |
| 51 | S | 82.3 | Confident | 76 | Confident | 14 Ų | 14 | 62 Ų | 62 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -53.6 | -38.9 | 176.7 | -163.5 | 0 | 0 | 0 | 0 | 113 | K47 F48 T54 A55 S66 | K47-S51 WeakPolarHBondContact O-CB 3.5Å; K47-S51 PolarHBondContact O-N 2.86Å; F48-S51 CarbonylContact O-C 3.57Å; F48-S51 WeakPolarHBondContact O-CA 3.46Å; F48-S51 WeakPolarHBondContact O-CB 3.39Å; F48-S51 PolarHBondContact O-N 2.98Å; S51-T54 PolarHBondContact O-N 2.8Å; S51-A55 VanDerWaalsContact O-CB 3.28Å; S51-A55 WeakPolarHBondContact O-CB 3.33Å; S51-A55 PolarHBondContact O-N 2.85Å; S51-S66 PolarHBondContact OG-O 2.86Å |
| 52 | L | 82 | Confident | 73.8 | Confident | 33 Ų | 33 | 66.8 Ų | 66.8 | 17% | 0.173 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.6 | -48.3 | 178.7 | -164.2 | 72.7 | 0 | 0 | 0 | 111.9 | V5 I9 F48 N50 T54 A55 A56 | V5-L52 HydrophobicContact CG1-CD1 4.08Å; V5-L52 WeakPolarHBondContact O-CD1 3.2Å; I9-L52 HydrophobicContact CD1-CD1 4.37Å; F48-L52 HydrophobicContact CE1-CD2 4.44Å; F48-L52 HydrophobicContact CE2-CD1 4.29Å; F48-L52 HydrophobicContact CZ-CD1 4.2Å; F48-L52 HydrophobicContact CZ-CD2 4.2Å; F48-L52 WeakPolarHBondContact O-CB 3.33Å; F48-L52 PolarHBondContact O-N 2.79Å; N50-L52 PolarHBondContact O-N 2.89Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-T54 PolarHBondContact O-N 3.03Å; L52-A55 PolarHBondContact O-N 2.76Å; L52-A56 PolarHBondContact O-N 2.9Å |
| 53 | R | 79.2 | Confident | 71.8 | Confident | 157 Ų | 157 | 71.3 Ų | 71.3 | 59% | 0.592 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 175.2 | -75.9 | 178.2 | -67.7 | 144.1 | 8.2 | 111.9 | R49 N50 A56 A57 | R49-R53 PolarHBondContact O-NE 3.41Å; R49-R53 PolarHBondContact O-NH2 3.24Å; N50-R53 PolarHBondContact O-N 2.66Å; N50-R53 PolarHBondContact OD1-NH2 3.49Å; R53-A56 PolarHBondContact O-N 3.13Å; R53-A57 VanDerWaalsContact O-CB 3.28Å; R53-A57 WeakPolarHBondContact O-CB 3.49Å; R53-A57 PolarHBondContact O-N 3.12Å |
| 54 | T | 71.6 | Confident | 69.9 | Low | 15 Ų | 15 | 74 Ų | 74 | 9% | 0.092 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -70.3 | -34.3 | 175.9 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | N50 S51 L52 A57 A58 V63 A65 | N50-T54 WeakPolarHBondContact O-CB 3.45Å; N50-T54 PolarHBondContact O-N 3.03Å; N50-T54 PolarHBondContact O-OG1 3.19Å; S51-T54 PolarHBondContact O-N 2.8Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-T54 PolarHBondContact O-N 3.03Å; T54-A57 CarbonylContact O-C 3.46Å; T54-A57 PolarHBondContact O-N 3.19Å; T54-A58 WeakPolarHBondContact O-CB 3.39Å; T54-A58 PolarHBondContact O-N 3.44Å; T54-V63 HydrophobicContact CG2-CB 4.02Å; T54-V63 HydrophobicContact CG2-CG1 4.25Å; T54-V63 WeakPolarHBondContact CG2-O 3.27Å; T54-A65 HydrophobicContact CG2-CB 3.74Å |
| 55 | A | 67.9 | Low | 68.6 | Low | 53 Ų | 53 | 74.1 Ų | 74.1 | 44% | 0.438 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S51 L52 A57 A58 | S51-A55 VanDerWaalsContact O-CB 3.28Å; S51-A55 WeakPolarHBondContact O-CB 3.33Å; S51-A55 PolarHBondContact O-N 2.85Å; L52-A55 PolarHBondContact O-N 2.76Å; A55-A57 PolarHBondContact O-N 3.3Å; A55-A58 VanDerWaalsContact O-CB 3.29Å; A55-A58 WeakPolarHBondContact O-CB 3.41Å; A55-A58 PolarHBondContact O-N 2.91Å; A55-A58 VanDerWaalsContact O-N 3.12Å |
| 56 | A | 63.2 | Low | 67.6 | Low | 47 Ų | 47 | 73.1 Ų | 73.1 | 39% | 0.388 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -28.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L52 R53 S59 | L52-A56 PolarHBondContact O-N 2.9Å; R53-A56 PolarHBondContact O-N 3.13Å; A56-S59 PolarHBondContact O-OG 3.32Å |
| 57 | A | 61.3 | Low | 67.1 | Low | 53 Ų | 53 | 70.1 Ų | 70.1 | 44% | 0.438 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -0.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R53 T54 A55 S59 G60 G61 | R53-A57 VanDerWaalsContact O-CB 3.28Å; R53-A57 WeakPolarHBondContact O-CB 3.49Å; R53-A57 PolarHBondContact O-N 3.12Å; T54-A57 CarbonylContact O-C 3.46Å; T54-A57 PolarHBondContact O-N 3.19Å; A55-A57 PolarHBondContact O-N 3.3Å; A57-S59 PolarHBondContact O-N 2.93Å; A57-S59 VanDerWaalsContact O-N 3.16Å; A57-G60 PolarHBondContact O-N 3.06Å; A57-G61 PolarHBondContact O-N 3.34Å |
| 58 | A | 53.4 | Low | 67.1 | Low | 72 Ų | 72 | 67.3 Ų | 67.3 | 60% | 0.595 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | T54 A55 G60 | T54-A58 WeakPolarHBondContact O-CB 3.39Å; T54-A58 PolarHBondContact O-N 3.44Å; A55-A58 VanDerWaalsContact O-CB 3.29Å; A55-A58 WeakPolarHBondContact O-CB 3.41Å; A55-A58 PolarHBondContact O-N 2.91Å; A55-A58 VanDerWaalsContact O-N 3.12Å; A58-G60 PolarHBondContact O-N 3.4Å |
| 59 | S | 54.1 | Low | 67.2 | Low | 120 Ų | 120 | 72.5 Ų | 72.5 | 84% | 0.839 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9.1 | 165.6 | 51.6 | 0 | 0 | 0 | 0 | 114.1 | A56 A57 | A56-S59 PolarHBondContact O-OG 3.32Å; A57-S59 PolarHBondContact O-N 2.93Å; A57-S59 VanDerWaalsContact O-N 3.16Å |
| 60 | G | 42.5 | Very low | 67.4 | Low | 75 Ų | 75 | 70 Ų | 70 | 77% | 0.773 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.1 | 2.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | A57 A58 | A57-G60 PolarHBondContact O-N 3.06Å; A58-G60 PolarHBondContact O-N 3.4Å |
| 61 | G | 41.7 | Very low | 67.7 | Low | 43 Ų | 43 | 69.1 Ų | 69.1 | 44% | 0.443 | 47% | 0.465 | S | S | . | . | trans | -174.3 | 135.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | A57 V63 | A57-G61 PolarHBondContact O-N 3.34Å; G61-V63 VanDerWaalsContact C-N 3.25Å; G61-V63 PolarHBondContact O-N 2.93Å | ||
| 62 | A | 46.6 | Very low | 68.2 | Low | 116 Ų | 116 | 69 Ų | 69 | 96% | 0.959 | 46% | 0.464 | S | S | * | . | trans | -79.3 | 53.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 63 | V | 51 | Low | 68.6 | Low | 103 Ų | 103 | 71.2 Ų | 71.2 | 62% | 0.624 | 47% | 0.47 | S | S | * | . | trans | -80.9 | 133.1 | 165.2 | 180 | 0 | 0 | 0 | 0 | 108.6 | T54 G61 A65 | T54-V63 HydrophobicContact CG2-CB 4.02Å; T54-V63 HydrophobicContact CG2-CG1 4.25Å; T54-V63 WeakPolarHBondContact CG2-O 3.27Å; G61-V63 VanDerWaalsContact C-N 3.25Å; G61-V63 PolarHBondContact O-N 2.93Å; V63-A65 PolarHBondContact O-N 2.8Å | ||
| 64 | A | 51.6 | Low | 69.1 | Low | 91 Ų | 91 | 64 Ų | 64 | 75% | 0.752 | 44% | 0.443 | S | S | * | . | trans | -71.6 | 103.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S66 | A64-S66 PolarHBondContact O-N 2.86Š| ||
| 65 | A | 63.3 | Low | 69.7 | Low | 41 Ų | 41 | 70.5 Ų | 70.5 | 34% | 0.339 | 47% | 0.467 | S | S | . | . | trans | -57.7 | 132.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | T54 V63 P67 | T54-A65 HydrophobicContact CG2-CB 3.74Å; V63-A65 PolarHBondContact O-N 2.8Å; A65-P67 WeakPolarHBondContact O-CD 3.48Å | ||
| 66 | S | 70.4 | Confident | 70.6 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 22% | 0.224 | 47% | 0.466 | C | S | . | . | trans | -76.7 | 109.1 | 178.2 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | K47 S51 A64 | K47-S66 PolarHBondContact O-OG 3.05Å; S51-S66 PolarHBondContact OG-O 2.86Å; A64-S66 PolarHBondContact O-N 2.86Å | ||
| 67 | P | 80.1 | Confident | 71.6 | Confident | 102 Ų | 102 | 70.1 Ų | 70.1 | 66% | 0.662 | 45% | 0.449 | S | S | * | . | trans | -66.4 | 156.8 | -170.3 | 28 | -36 | 0 | 0 | 0 | 112.1 | A65 | A65-P67 WeakPolarHBondContact O-CD 3.48Š| ||
| 68 | P | 88.1 | Confident | 72.6 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 23% | 0.227 | 44% | 0.442 | C | S | . | . | trans | -57.1 | 140.8 | 168.7 | 24.7 | -33.3 | 0 | 0 | 0 | 110.2 | E40 Y41 Y42 R70 V71 | E40-P68 HydrophobicContact CB-CB 4.08Å; Y41-P68 CarbonylContact O-C 3.52Å; Y42-P68 HydrophobicContact CD1-CB 4.47Å; Y42-P68 HydrophobicContact CE1-CB 3.93Å; Y42-P68 HydrophobicContact CE2-CB 4.08Å; P68-R70 PolarHBondContact O-N 2.97Å; P68-V71 HydrophobicContact CB-CG2 4.2Å; P68-V71 HydrophobicContact CG-CG2 3.59Å | ||
| 69 | K | 89.7 | Confident | 74.1 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -70.9 | -18.6 | 179.9 | -91 | -165.6 | 164.4 | 178.8 | 0 | 113.6 | Y41 D43 | Y41-K69 HydrophobicContact CD2-CB 3.96Å; Y41-K69 HydrophobicContact CE2-CB 3.4Å; Y41-K69 HydrophobicContact CE2-CD 4.47Å; Y41-K69 PolarHBondContact O-N 2.94Å; D43-K69 VanDerWaalsContact CG-NZ 3.3Å; D43-K69 WeakPolarHBondContact OD1-CD 3.1Å; D43-K69 WeakPolarHBondContact OD1-CE 3.42Å; D43-K69 IonicContact OD1-NZ 2.67Å; D43-K69 PolarHBondContact OD1-NZ 2.81Å; D43-K69 WeakPolarHBondContact OD2-CE 3.39Å; D43-K69 IonicContact OD2-NZ 3.19Å; D43-K69 PolarHBondContact OD2-NZ 3.1Å |
| 70 | R | 90.4 | Very high | 75.7 | Confident | 85 Ų | 85 | 62.4 Ų | 62.4 | 32% | 0.321 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 149.7 | 163.5 | -176.9 | 178.1 | -81.9 | -164.5 | -25.2 | 107.9 | Y41 P68 I72 E99 | Y41-R70 HydrophobicContact CD1-CB 4.24Å; Y41-R70 HydrophobicContact CE1-CB 3.45Å; Y41-R70 VanDerWaalsContact CE1-CB 3.45Å; Y41-R70 HydrophobicContact CE1-CG 4.41Å; Y41-R70 PolarHBondContact N-O 2.81Å; P68-R70 PolarHBondContact O-N 2.97Å; R70-I72 HydrophobicContact CG-CG1 4.01Å; R70-E99 IonicContact CZ-OE1 2.61Å; R70-E99 IonicContact CZ-OE2 3.7Å; R70-E99 IonicContact NH1-OE1 3.91Å; R70-E99 IonicContact NH1-OE2 2.91Å; R70-E99 PolarHBondContact NH1-OE2 2.79Å; R70-E99 VanDerWaalsContact NH2-CD 3.34Å; R70-E99 IonicContact NH2-OE1 2.65Å; R70-E99 PolarHBondContact NH2-OE1 3.35Å; R70-E99 IonicContact NH2-OE2 3.58Å; R70-E99 PolarHBondContact NH2-OE2 3.3Å; R70-E99 VanDerWaalsContact NH2-OE2 3.09Å |
| 71 | V | 92 | Very high | 77.9 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.5 | 164.5 | -177.2 | 0 | 0 | 0 | 0 | 106.9 | R38 E40 P68 Y73 | R38-V71 HydrophobicContact CB-CG1 3.82Å; R38-V71 HydrophobicContact CG-CG1 4.16Å; E40-V71 HydrophobicContact CG-CG1 4.35Å; E40-V71 HydrophobicContact CG-CG2 4.22Å; P68-V71 HydrophobicContact CB-CG2 4.2Å; P68-V71 HydrophobicContact CG-CG2 3.59Å; V71-Y73 HydrophobicContact CG1-CD1 4.24Å; V71-Y73 HydrophobicContact CG1-CD2 4.36Å; V71-Y73 HydrophobicContact CG1-CE1 3.89Å; V71-Y73 HydrophobicContact CG1-CE2 4.01Å; V71-Y73 HydrophobicContact CG1-CG 4.47Å |
| 72 | I | 91.8 | Very high | 80.3 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.062 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 109.4 | 172.7 | -57.4 | 176.9 | 0 | 0 | 0 | 106.4 | R38 L39 R70 T96 F101 | R38-I72 CarbonylContact C-O 3.58Å; R38-I72 VanDerWaalsContact CA-O 3.27Å; R38-I72 WeakPolarHBondContact CA-O 3.42Å; L39-I72 PolarHBondContact N-O 3.31Å; L39-I72 PolarHBondContact O-N 2.93Å; R70-I72 HydrophobicContact CG-CG1 4.01Å; I72-T96 HydrophobicContact CG2-CG2 4.08Å; I72-F101 HydrophobicContact CD1-CB 4.01Å; I72-F101 HydrophobicContact CD1-CD1 3.26Å; I72-F101 HydrophobicContact CD1-CD2 3.83Å; I72-F101 HydrophobicContact CD1-CE1 3.53Å; I72-F101 HydrophobicContact CD1-CE2 4.07Å; I72-F101 HydrophobicContact CD1-CG 3.41Å; I72-F101 VanDerWaalsContact CD1-CG 3.41Å; I72-F101 HydrophobicContact CD1-CZ 3.93Å |
| 73 | Y | 91 | Very high | 82.2 | Confident | 79 Ų | 79 | 56.3 Ų | 56.3 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 131.7 | -178.8 | -63.3 | -79.2 | 0 | 0 | 0 | 110.8 | P36 R38 V71 Y75 Q76 | P36-Y73 HydrophobicContact CG-CD1 3.86Å; P36-Y73 HydrophobicContact CG-CE1 4.02Å; R38-Y73 HydrophobicContact CB-CD1 3.87Å; R38-Y73 HydrophobicContact CB-CE1 4.35Å; V71-Y73 HydrophobicContact CG1-CD1 4.24Å; V71-Y73 HydrophobicContact CG1-CD2 4.36Å; V71-Y73 HydrophobicContact CG1-CE1 3.89Å; V71-Y73 HydrophobicContact CG1-CE2 4.01Å; V71-Y73 HydrophobicContact CG1-CG 4.47Å; Y73-Y75 VanDerWaalsContact C-N 3.29Å; Y73-Y75 AromaticContact CD1-CE1 3.85Å; Y73-Y75 HydrophobicContact CD1-CE1 3.85Å; Y73-Y75 HydrophobicContact CD2-CE1 4.47Å; Y73-Y75 HydrophobicContact CG-CD1 4.47Å; Y73-Y75 AromaticContact CG-CE1 3.65Å; Y73-Y75 HydrophobicContact CG-CE1 3.65Å; Y73-Y75 AromaticContact CG-CZ 4Å; Y73-Y75 PolarHBondContact O-N 3.06Å; Y73-Q76 WeakPolarHBondContact O-CB 3.44Å; Y73-Q76 PolarHBondContact O-N 3.28Å |
| 74 | L | 88.9 | Confident | 84 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -69.2 | -27 | -173.3 | -63.7 | -163.8 | 0 | 0 | 0 | 112.9 | L28 S37 L39 Q76 C77 L94 I118 L121 M122 | L28-L74 HydrophobicContact CD1-CD1 3.99Å; S37-L74 PolarHBondContact O-N 2.95Å; S37-L74 VanDerWaalsContact OG-CD1 3.23Å; S37-L74 WeakPolarHBondContact OG-CD1 3.42Å; L39-L74 HydrophobicContact CB-CD2 4.33Å; L74-Q76 PolarHBondContact O-N 2.85Å; L74-C77 WeakPolarHBondContact O-CB 3.44Å; L74-C77 PolarHBondContact O-N 2.93Å; L74-L94 HydrophobicContact CD2-CD2 4.44Å; L74-I118 HydrophobicContact CD2-CG2 4.41Å; L74-L121 HydrophobicContact CD1-CB 3.49Å; L74-L121 VanDerWaalsContact CD1-CB 3.49Å; L74-L121 HydrophobicContact CD1-CD1 4.26Å; L74-M122 HydrophobicContact CB-CG 3.96Å; L74-M122 HydrophobicContact CD1-CG 4.14Å; L74-M122 HydrophobicContact CG-CG 4.43Å |
| 75 | Y | 85.4 | Confident | 85.6 | Confident | 152 Ų | 152 | 49.2 Ų | 49.2 | 60% | 0.596 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -65.7 | -16.8 | 171.9 | 71.2 | -99.7 | 0 | 0 | 0 | 113.4 | P36 Y73 | P36-Y75 HydrophobicContact CB-CD1 3.95Å; P36-Y75 HydrophobicContact CB-CE1 3.95Å; P36-Y75 HydrophobicContact CG-CD1 4.29Å; P36-Y75 HydrophobicContact CG-CE1 3.77Å; Y73-Y75 VanDerWaalsContact C-N 3.29Å; Y73-Y75 AromaticContact CD1-CE1 3.85Å; Y73-Y75 HydrophobicContact CD1-CE1 3.85Å; Y73-Y75 HydrophobicContact CD2-CE1 4.47Å; Y73-Y75 HydrophobicContact CG-CD1 4.47Å; Y73-Y75 AromaticContact CG-CE1 3.65Å; Y73-Y75 HydrophobicContact CG-CE1 3.65Å; Y73-Y75 AromaticContact CG-CZ 4Å; Y73-Y75 PolarHBondContact O-N 3.06Å |
| 76 | Q | 85.9 | Confident | 86.7 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 41% | 0.407 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -89 | -13.5 | 174 | -56.8 | 179.1 | 2.3 | 0 | 0 | 112.2 | Y73 L74 T96 K97 | Y73-Q76 WeakPolarHBondContact O-CB 3.44Å; Y73-Q76 PolarHBondContact O-N 3.28Å; L74-Q76 PolarHBondContact O-N 2.85Å; Q76-T96 WeakPolarHBondContact O-CA 3.47Å; Q76-T96 WeakPolarHBondContact O-CB 3.26Å; Q76-K97 PolarHBondContact O-N 2.79Å |
| 77 | C | 84.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 115.3 | 174 | -62.8 | 0 | 0 | 0 | 0 | 109.2 | L74 Y95 M122 | L74-C77 WeakPolarHBondContact O-CB 3.44Å; L74-C77 PolarHBondContact O-N 2.93Å; C77-Y95 CarbonylContact C-O 3.5Å; C77-Y95 WeakPolarHBondContact CA-O 3.27Å; C77-M122 HydrophobicContact CB-SD 3.48Å; C77-M122 WeakPolarHBondContact CB-SD 3.5Å |
| 78 | F | 81.1 | Confident | 87.7 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -24.8 | 177 | 69 | -92 | 0 | 0 | 0 | 112.1 | Y95 T96 F148 V151 | F78-Y95 WeakPolarHBondContact CD1-O 3.43Å; F78-Y95 PolarHBondContact N-O 3.33Å; F78-T96 WeakPolarHBondContact CE1-O 3.38Å; F78-F148 HydrophobicContact CD2-CD2 4.36Å; F78-F148 HydrophobicContact CE2-CD2 4.3Å; F78-F148 HydrophobicContact CE2-CE2 4.48Å; F78-V151 HydrophobicContact CE2-CG1 4.44Å; F78-V151 HydrophobicContact CE2-CG2 4.22Å; F78-V151 HydrophobicContact CZ-CG1 4.38Å |
| 79 | T | 84.9 | Confident | 87.7 | Confident | 12 Ų | 12 | 59 Ų | 59 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 165.2 | 170.2 | -168.4 | 0 | 0 | 0 | 0 | 112.9 | Y95 V151 | T79-Y95 HydrophobicContact CG2-CD2 3.89Å; T79-Y95 HydrophobicContact CG2-CG 4.18Å; T79-Y95 PolarHBondContact O-N 3.22Å; T79-V151 HydrophobicContact CG2-CB 3.92Å; T79-V151 HydrophobicContact CG2-CG2 3.58Å |
| 80 | V | 88.7 | Confident | 87.8 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 140.2 | 171.2 | 69.9 | 0 | 0 | 0 | 0 | 108 | I92 A93 L94 Y115 I118 S119 M122 | V80-I92 HydrophobicContact CG2-CG2 3.51Å; V80-A93 CarbonylContact C-O 3.59Å; V80-A93 VanDerWaalsContact CA-O 3.31Å; V80-A93 WeakPolarHBondContact CA-O 3.41Å; V80-L94 HydrophobicContact CG2-CD1 4.25Å; V80-L94 HydrophobicContact CG2-CG 3.99Å; V80-Y115 HydrophobicContact CG1-CD2 4.03Å; V80-Y115 HydrophobicContact CG1-CE2 3.83Å; V80-Y115 HydrophobicContact CG2-CD2 4.37Å; V80-I118 HydrophobicContact CB-CG2 4.29Å; V80-I118 HydrophobicContact CG1-CG2 4.27Å; V80-I118 HydrophobicContact CG2-CG2 4.11Å; V80-S119 VanDerWaalsContact CG1-OG 3.28Å; V80-S119 WeakPolarHBondContact CG1-OG 3.25Å; V80-M122 HydrophobicContact CB-CE 3.64Å; V80-M122 HydrophobicContact CB-SD 4.32Å; V80-M122 HydrophobicContact CG1-CE 3.34Å; V80-M122 HydrophobicContact CG1-SD 4.49Å |
| 81 | N | 89.4 | Confident | 88 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 142.1 | 179.8 | -68.4 | -81.3 | 0 | 0 | 0 | 111.5 | R83 A93 Y95 E150 V151 | N81-R83 HydrophobicContact CB-CG 4.32Å; N81-A93 PolarHBondContact N-O 3.5Å; N81-A93 PolarHBondContact O-N 3.04Å; N81-Y95 HydrophobicContact CB-CE2 4.18Å; N81-Y95 VanDerWaalsContact ND2-CE2 3.32Å; N81-Y95 WeakPolarHBondContact ND2-CE2 3.35Å; N81-E150 WeakPolarHBondContact OD1-CA 3.45Å; N81-V151 PolarHBondContact ND2-N 2.89Å |
| 82 | K | 90.8 | Very high | 88 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 33% | 0.326 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.9 | 160.8 | -66.8 | 178.3 | -66.5 | -168.7 | 0 | 109.1 | E112 Y115 | K82-E112 VanDerWaalsContact CD-OE2 3.28Å; K82-E112 WeakPolarHBondContact CD-OE2 3.4Å; K82-E112 IonicContact NZ-OE1 2.69Å; K82-E112 PolarHBondContact NZ-OE1 2.91Å; K82-E112 IonicContact NZ-OE2 3.7Å; K82-E112 PolarHBondContact NZ-OE2 2.77Å; K82-Y115 HydrophobicContact CD-CD1 3.65Å; K82-Y115 HydrophobicContact CD-CD2 4.26Å; K82-Y115 HydrophobicContact CD-CE1 4.15Å; K82-Y115 HydrophobicContact CD-CG 3.71Å; K82-Y115 HydrophobicContact CG-CD1 3.93Å; K82-Y115 HydrophobicContact CG-CD2 3.57Å; K82-Y115 HydrophobicContact CG-CE1 4.4Å; K82-Y115 HydrophobicContact CG-CE2 4.05Å; K82-Y115 HydrophobicContact CG-CG 3.49Å; K82-Y115 VanDerWaalsContact CG-CG 3.49Å |
| 83 | R | 87.8 | Confident | 88.1 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 163.5 | -174.7 | -69.1 | -70.4 | 167 | -116 | 21.1 | 110.5 | N81 L91 A93 Q111 E150 V151 | N81-R83 HydrophobicContact CB-CG 4.32Å; R83-L91 HydrophobicContact CB-CB 3.8Å; R83-L91 HydrophobicContact CB-CD1 4.38Å; R83-L91 PolarHBondContact N-O 2.77Å; R83-L91 WeakPolarHBondContact O-CA 2.95Å; R83-L91 WeakPolarHBondContact O-CB 3.45Å; R83-L91 PolarHBondContact O-N 2.84Å; R83-A93 HydrophobicContact CG-CB 4Å; R83-Q111 PolarHBondContact O-NE2 2.65Å; R83-Q111 VanDerWaalsContact O-NE2 3.13Å; R83-E150 IonicContact CZ-OE2 3.88Å; R83-E150 IonicContact NH1-OE2 3.31Å; R83-E150 PolarHBondContact NH1-OE2 2.76Å; R83-E150 IonicContact NH2-OE2 3.14Å; R83-E150 PolarHBondContact NH2-OE2 2.74Å; R83-V151 PolarHBondContact NE-O 3.48Å; R83-V151 PolarHBondContact NH2-O 2.84Å |
| 84 | A | 88.4 | Confident | 88.1 | Confident | 33 Ų | 33 | 44.9 Ų | 44.9 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | trans | -136.2 | 144.9 | 165 | 0 | 0 | 0 | 0 | 0 | 108.5 | K89 | A84-K89 WeakPolarHBondContact CB-O 3.18Š| ||
| 85 | D | 85.8 | Confident | 88 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | trans | -121.3 | 179.8 | 167.4 | 76.4 | 31.7 | 0 | 0 | 0 | 109.9 | Q18 K87 N88 L91 V233 | Q18-D85 PolarHBondContact NE2-OD2 3.49Å; D85-K87 PolarHBondContact O-N 2.71Å; D85-K87 VanDerWaalsContact O-N 3.13Å; D85-K87 WeakPolarHBondContact OD1-CA 3.1Å; D85-K87 WeakPolarHBondContact OD1-CB 3.26Å; D85-K87 PolarHBondContact OD1-N 2.82Å; D85-N88 PolarHBondContact N-O 2.65Å; D85-N88 PolarHBondContact OD1-N 2.61Å; D85-N88 PolarHBondContact OD1-ND2 2.62Å; D85-N88 PolarHBondContact OD2-ND2 2.95Å; D85-L91 HydrophobicContact CB-CD1 3.85Å; D85-L91 WeakPolarHBondContact OD2-CD1 3.21Å; D85-V233 HydrophobicContact CB-CG2 4.26Å | ||
| 86 | S | 85.1 | Confident | 88.1 | Confident | 65 Ų | 65 | 38.3 Ų | 38.3 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -68.1 | -11.9 | -175.9 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | D230 | S86-D230 PolarHBondContact N-OD2 2.77Å; S86-D230 VanDerWaalsContact N-OD2 3.08Å; S86-D230 PolarHBondContact OG-OD1 3.33Å; S86-D230 PolarHBondContact OG-OD2 2.79Å |
| 87 | K | 83.8 | Confident | 87.9 | Confident | 146 Ų | 146 | 38 Ų | 38 | 64% | 0.635 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -116.9 | -27.1 | -170.8 | -55 | 163.8 | -161.1 | 66.3 | 0 | 111.6 | D85 D230 | D85-K87 PolarHBondContact O-N 2.71Å; D85-K87 VanDerWaalsContact O-N 3.13Å; D85-K87 WeakPolarHBondContact OD1-CA 3.1Å; D85-K87 WeakPolarHBondContact OD1-CB 3.26Å; D85-K87 PolarHBondContact OD1-N 2.82Å; K87-D230 IonicContact NZ-OD1 2.69Å; K87-D230 PolarHBondContact NZ-OD1 3Å; K87-D230 IonicContact NZ-OD2 2.69Å; K87-D230 PolarHBondContact NZ-OD2 2.95Å |
| 88 | N | 87.4 | Confident | 87.8 | Confident | 40 Ų | 40 | 41.5 Ų | 41.5 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | trans | -134.8 | 104 | -173.6 | -47.6 | -86.2 | 0 | 0 | 0 | 109.5 | D85 H90 L91 V104 | D85-N88 PolarHBondContact N-O 2.65Å; D85-N88 PolarHBondContact OD1-N 2.61Å; D85-N88 PolarHBondContact OD1-ND2 2.62Å; D85-N88 PolarHBondContact OD2-ND2 2.95Å; N88-H90 VanDerWaalsContact C-N 3.27Å; N88-H90 PolarHBondContact O-N 3.14Å; N88-L91 HydrophobicContact CB-CD1 4.26Å; N88-L91 HydrophobicContact CB-CD2 4.22Å; N88-L91 HydrophobicContact CB-CG 4.01Å; N88-V104 HydrophobicContact CB-CG1 4.14Å; N88-V104 HydrophobicContact CB-CG2 3.84Å; N88-V104 WeakPolarHBondContact OD1-CG2 3.36Å | ||
| 89 | K | 88.6 | Confident | 88 | Confident | 163 Ų | 163 | 42.4 Ų | 42.4 | 71% | 0.709 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -68.1 | -26.3 | 177.7 | -64 | -174.7 | 179.1 | -176 | 0 | 113.5 | A84 | A84-K89 WeakPolarHBondContact CB-O 3.18Š|
| 90 | H | 92.4 | Very high | 88.1 | Confident | 44 Ų | 44 | 44.2 Ų | 44.2 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -117 | 71 | -166.8 | -58.9 | -53.1 | 0 | 0 | 0 | 112.4 | N88 V104 A105 Q111 | N88-H90 VanDerWaalsContact C-N 3.27Å; N88-H90 PolarHBondContact O-N 3.14Å; H90-V104 WeakPolarHBondContact O-CA 3.19Å; H90-A105 HydrophobicContact CB-CB 4.2Å; H90-A105 PolarHBondContact O-N 3.47Å; H90-Q111 VanDerWaalsContact CA-CD 3.47Å; H90-Q111 HydrophobicContact CB-CB 4.16Å; H90-Q111 HydrophobicContact CB-CG 4.34Å; H90-Q111 PolarHBondContact ND1-OE1 2.79Å |
| 91 | L | 93.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 143.6 | 178.4 | -70.4 | 157.3 | 0 | 0 | 0 | 112.7 | Q18 R83 D85 N88 A102 I103 V104 Q111 | Q18-L91 HydrophobicContact CB-CD2 3.74Å; Q18-L91 HydrophobicContact CG-CD2 3.77Å; R83-L91 HydrophobicContact CB-CB 3.8Å; R83-L91 HydrophobicContact CB-CD1 4.38Å; R83-L91 PolarHBondContact N-O 2.77Å; R83-L91 WeakPolarHBondContact O-CA 2.95Å; R83-L91 WeakPolarHBondContact O-CB 3.45Å; R83-L91 PolarHBondContact O-N 2.84Å; D85-L91 HydrophobicContact CB-CD1 3.85Å; D85-L91 WeakPolarHBondContact OD2-CD1 3.21Å; N88-L91 HydrophobicContact CB-CD1 4.26Å; N88-L91 HydrophobicContact CB-CD2 4.22Å; N88-L91 HydrophobicContact CB-CG 4.01Å; L91-A102 HydrophobicContact CD2-CB 4.19Å; L91-I103 WeakPolarHBondContact CA-O 3.41Å; L91-V104 HydrophobicContact CD2-CG2 3.39Å; L91-V104 HydrophobicContact CG-CG2 4.31Å; L91-Q111 PolarHBondContact O-NE2 3.48Å |
| 92 | I | 93.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 120.4 | 163.4 | -51.2 | 168.5 | 0 | 0 | 0 | 106.5 | V80 L94 A102 I103 Q111 W114 I118 | V80-I92 HydrophobicContact CG2-CG2 3.51Å; I92-L94 HydrophobicContact CG2-CD1 4.25Å; I92-A102 WeakPolarHBondContact O-CA 3.38Å; I92-I103 HydrophobicContact CB-CD1 4.28Å; I92-I103 HydrophobicContact CB-CG1 3.81Å; I92-I103 HydrophobicContact CD1-CD1 4.47Å; I92-I103 HydrophobicContact CD1-CG1 4.43Å; I92-I103 PolarHBondContact N-O 3.04Å; I92-I103 PolarHBondContact O-N 2.98Å; I92-Q111 WeakPolarHBondContact CD1-O 3.39Å; I92-Q111 HydrophobicContact CG1-CG 3.95Å; I92-W114 HydrophobicContact CD1-CB 3.35Å; I92-W114 HydrophobicContact CD1-CG 4.46Å; I92-I118 HydrophobicContact CG2-CD1 4.46Å |
| 93 | A | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 112.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V80 N81 R83 Y95 Y100 | V80-A93 CarbonylContact C-O 3.59Å; V80-A93 VanDerWaalsContact CA-O 3.31Å; V80-A93 WeakPolarHBondContact CA-O 3.41Å; N81-A93 PolarHBondContact N-O 3.5Å; N81-A93 PolarHBondContact O-N 3.04Å; R83-A93 HydrophobicContact CG-CB 4Å; A93-Y95 HydrophobicContact CB-CD2 4.47Å; A93-Y95 HydrophobicContact CB-CE2 3.63Å; A93-Y95 WeakPolarHBondContact O-CD2 3.18Å; A93-Y95 WeakPolarHBondContact O-CE2 3.48Å; A93-Y100 HydrophobicContact CB-CE2 3.74Å |
| 94 | L | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 129 | 173.6 | -66.3 | 80.4 | 0 | 0 | 0 | 109.1 | L39 L74 V80 I92 F101 I103 I118 | L39-L94 HydrophobicContact CD2-CD1 4.32Å; L39-L94 HydrophobicContact CD2-CD2 3.84Å; L74-L94 HydrophobicContact CD2-CD2 4.44Å; V80-L94 HydrophobicContact CG2-CD1 4.25Å; V80-L94 HydrophobicContact CG2-CG 3.99Å; I92-L94 HydrophobicContact CG2-CD1 4.25Å; L94-F101 PolarHBondContact N-O 3.01Å; L94-F101 PolarHBondContact O-N 2.95Å; L94-I103 HydrophobicContact CD1-CD1 4.11Å; L94-I118 HydrophobicContact CD1-CD1 4.39Å; L94-I118 HydrophobicContact CD2-CG2 4.26Å |
| 95 | Y | 88 | Confident | 89.1 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 107.4 | 179.8 | -63.4 | -97.7 | 0 | 0 | 0 | 109.3 | C77 F78 T79 N81 A93 Y100 V151 Q153 | C77-Y95 CarbonylContact C-O 3.5Å; C77-Y95 WeakPolarHBondContact CA-O 3.27Å; F78-Y95 WeakPolarHBondContact CD1-O 3.43Å; F78-Y95 PolarHBondContact N-O 3.33Å; T79-Y95 HydrophobicContact CG2-CD2 3.89Å; T79-Y95 HydrophobicContact CG2-CG 4.18Å; T79-Y95 PolarHBondContact O-N 3.22Å; N81-Y95 HydrophobicContact CB-CE2 4.18Å; N81-Y95 VanDerWaalsContact ND2-CE2 3.32Å; N81-Y95 WeakPolarHBondContact ND2-CE2 3.35Å; A93-Y95 HydrophobicContact CB-CD2 4.47Å; A93-Y95 HydrophobicContact CB-CE2 3.63Å; A93-Y95 WeakPolarHBondContact O-CD2 3.18Å; A93-Y95 WeakPolarHBondContact O-CE2 3.48Å; Y95-Y100 AromaticContact CD1-CD2 3.89Å; Y95-Y100 HydrophobicContact CD1-CD2 3.89Å; Y95-Y100 AromaticContact CE1-CD2 3.46Å; Y95-Y100 HydrophobicContact CE1-CD2 3.46Å; Y95-Y100 VanDerWaalsContact CE1-CD2 3.46Å; Y95-Y100 AromaticContact CE1-CE2 3.75Å; Y95-Y100 HydrophobicContact CE1-CE2 3.75Å; Y95-Y100 HydrophobicContact CE2-CE2 4.4Å; Y95-Y100 AromaticContact CZ-CD2 3.84Å; Y95-Y100 AromaticContact CZ-CE2 3.66Å; Y95-V151 HydrophobicContact CD1-CG1 3.8Å; Y95-V151 HydrophobicContact CD2-CB 4.5Å; Y95-V151 HydrophobicContact CE1-CB 4.47Å; Y95-V151 HydrophobicContact CE1-CG1 3.85Å; Y95-V151 HydrophobicContact CE2-CB 4.42Å; Y95-V151 HydrophobicContact CG-CG1 4.17Å; Y95-V151 PolarHBondContact OH-O 3.18Å; Y95-Q153 HydrophobicContact CE1-CB 4.42Å |
| 96 | T | 87.4 | Confident | 89.4 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 174.6 | 170.8 | 66 | 0 | 0 | 0 | 0 | 110.6 | I72 Q76 F78 D98 E99 R172 | I72-T96 HydrophobicContact CG2-CG2 4.08Å; Q76-T96 WeakPolarHBondContact O-CA 3.47Å; Q76-T96 WeakPolarHBondContact O-CB 3.26Å; F78-T96 WeakPolarHBondContact CE1-O 3.38Å; T96-D98 VanDerWaalsContact C-N 3.28Å; T96-D98 PolarHBondContact O-N 3.39Å; T96-E99 PolarHBondContact N-O 2.84Å; T96-E99 WeakPolarHBondContact OG1-CA 3.4Å; T96-E99 PolarHBondContact OG1-N 3.23Å; T96-E99 PolarHBondContact OG1-O 2.74Å; T96-R172 PolarHBondContact O-NH2 3.31Å |
| 97 | K | 80.6 | Confident | 89.8 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 36% | 0.357 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -55.5 | -40.8 | 174.3 | -176.6 | 170.4 | 176 | 167 | 0 | 113.1 | Q76 R172 N186 E188 | Q76-K97 PolarHBondContact O-N 2.79Å; K97-R172 VanDerWaalsContact C-NH2 3.35Å; K97-R172 VanDerWaalsContact O-CZ 3.26Å; K97-R172 PolarHBondContact O-NH1 3.4Å; K97-R172 PolarHBondContact O-NH2 3.11Å; K97-N186 PolarHBondContact O-N 2.88Å; K97-E188 IonicContact NZ-OE2 2.72Å; K97-E188 PolarHBondContact NZ-OE2 2.97Å |
| 98 | D | 82.6 | Confident | 90.2 | Very high | 76 Ų | 76 | 43.1 Ų | 43.1 | 41% | 0.406 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -113.5 | -38.7 | -170.5 | -52 | -66.3 | 0 | 0 | 0 | 113.3 | T96 R172 N186 | T96-D98 VanDerWaalsContact C-N 3.28Å; T96-D98 PolarHBondContact O-N 3.39Å; D98-R172 VanDerWaalsContact C-NH2 3.32Å; D98-R172 PolarHBondContact O-NH2 2.96Å; D98-N186 WeakPolarHBondContact CA-OD1 3.33Å; D98-N186 PolarHBondContact O-OD1 2.85Å; D98-N186 WeakPolarHBondContact OD1-CA 3.23Å; D98-N186 WeakPolarHBondContact OD1-CB 3.4Å; D98-N186 PolarHBondContact OD1-ND2 2.84Å |
| 99 | E | 85.4 | Confident | 90.5 | Very high | 86 Ų | 86 | 46.3 Ų | 46.3 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | trans | -101.1 | 162.1 | 177.9 | -67.3 | -160.5 | -172.1 | 0 | 0 | 114 | R70 T96 R172 | R70-E99 IonicContact CZ-OE1 2.61Å; R70-E99 IonicContact CZ-OE2 3.7Å; R70-E99 IonicContact NH1-OE1 3.91Å; R70-E99 IonicContact NH1-OE2 2.91Å; R70-E99 PolarHBondContact NH1-OE2 2.79Å; R70-E99 VanDerWaalsContact NH2-CD 3.34Å; R70-E99 IonicContact NH2-OE1 2.65Å; R70-E99 PolarHBondContact NH2-OE1 3.35Å; R70-E99 IonicContact NH2-OE2 3.58Å; R70-E99 PolarHBondContact NH2-OE2 3.3Å; R70-E99 VanDerWaalsContact NH2-OE2 3.09Å; T96-E99 PolarHBondContact N-O 2.84Å; T96-E99 WeakPolarHBondContact OG1-CA 3.4Å; T96-E99 PolarHBondContact OG1-N 3.23Å; T96-E99 PolarHBondContact OG1-O 2.74Å; E99-R172 PolarHBondContact O-NH2 2.69Å | ||
| 100 | Y | 87.9 | Confident | 90.7 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.2 | 160 | 163.7 | -96.4 | 0 | 0 | 0 | 107.9 | A93 Y95 A102 Q153 | A93-Y100 HydrophobicContact CB-CE2 3.74Å; Y95-Y100 AromaticContact CD1-CD2 3.89Å; Y95-Y100 HydrophobicContact CD1-CD2 3.89Å; Y95-Y100 AromaticContact CE1-CD2 3.46Å; Y95-Y100 HydrophobicContact CE1-CD2 3.46Å; Y95-Y100 VanDerWaalsContact CE1-CD2 3.46Å; Y95-Y100 AromaticContact CE1-CE2 3.75Å; Y95-Y100 HydrophobicContact CE1-CE2 3.75Å; Y95-Y100 HydrophobicContact CE2-CE2 4.4Å; Y95-Y100 AromaticContact CZ-CD2 3.84Å; Y95-Y100 AromaticContact CZ-CE2 3.66Å; Y100-A102 HydrophobicContact CE1-CB 3.9Å; Y100-Q153 HydrophobicContact CD2-CB 4.36Å |
| 101 | F | 90.8 | Very high | 90.8 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 110.7 | -176.1 | -174.2 | -97.8 | 0 | 0 | 0 | 111.6 | K17 F26 Y41 I72 L94 I103 | K17-F101 HydrophobicContact CD-CE2 4Å; K17-F101 HydrophobicContact CD-CZ 4.06Å; K17-F101 HydrophobicContact CG-CZ 4.49Å; F26-F101 AromaticContact CE1-CE1 3.93Å; F26-F101 HydrophobicContact CE1-CE1 3.93Å; F26-F101 AromaticContact CE1-CZ 3.96Å; F26-F101 HydrophobicContact CE1-CZ 3.96Å; F26-F101 HydrophobicContact CZ-CE1 4.45Å; F26-F101 HydrophobicContact CZ-CZ 4.21Å; Y41-F101 HydrophobicContact CD1-CZ 4.09Å; Y41-F101 HydrophobicContact CE1-CE2 4.18Å; Y41-F101 AromaticContact CE1-CZ 3.88Å; Y41-F101 HydrophobicContact CE1-CZ 3.88Å; I72-F101 HydrophobicContact CD1-CB 4.01Å; I72-F101 HydrophobicContact CD1-CD1 3.26Å; I72-F101 HydrophobicContact CD1-CD2 3.83Å; I72-F101 HydrophobicContact CD1-CE1 3.53Å; I72-F101 HydrophobicContact CD1-CE2 4.07Å; I72-F101 HydrophobicContact CD1-CG 3.41Å; I72-F101 VanDerWaalsContact CD1-CG 3.41Å; I72-F101 HydrophobicContact CD1-CZ 3.93Å; L94-F101 PolarHBondContact N-O 3.01Å; L94-F101 PolarHBondContact O-N 2.95Å; F101-I103 HydrophobicContact CD1-CG2 4.09Å; F101-I103 HydrophobicContact CE1-CG2 3.4Å; F101-I103 VanDerWaalsContact CE1-CG2 3.4Å; F101-I103 HydrophobicContact CZ-CG2 4.03Å |
| 102 | A | 92.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q18 L91 I92 Y100 | Q18-A102 HydrophobicContact CB-CB 4.01Å; Q18-A102 PolarHBondContact N-O 3.17Å; L91-A102 HydrophobicContact CD2-CB 4.19Å; I92-A102 WeakPolarHBondContact O-CA 3.38Å; Y100-A102 HydrophobicContact CE1-CB 3.9Å |
| 103 | I | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 144.6 | 176.4 | 60.8 | -165.2 | 0 | 0 | 0 | 109.4 | L15 R16 F26 L39 L91 I92 L94 F101 I118 | L15-I103 HydrophobicContact CD1-CB 4.23Å; L15-I103 HydrophobicContact CD1-CD1 3.64Å; L15-I103 HydrophobicContact CD1-CG1 4.03Å; R16-I103 CarbonylContact O-C 3.58Å; R16-I103 WeakPolarHBondContact O-CA 3.4Å; F26-I103 HydrophobicContact CD1-CG2 4.46Å; F26-I103 HydrophobicContact CE1-CG2 3.61Å; F26-I103 HydrophobicContact CE2-CG2 4.36Å; F26-I103 HydrophobicContact CZ-CG2 3.54Å; L39-I103 HydrophobicContact CD2-CD1 4.14Å; L91-I103 WeakPolarHBondContact CA-O 3.41Å; I92-I103 HydrophobicContact CB-CD1 4.28Å; I92-I103 HydrophobicContact CB-CG1 3.81Å; I92-I103 HydrophobicContact CD1-CD1 4.47Å; I92-I103 HydrophobicContact CD1-CG1 4.43Å; I92-I103 PolarHBondContact N-O 3.04Å; I92-I103 PolarHBondContact O-N 2.98Å; L94-I103 HydrophobicContact CD1-CD1 4.11Å; F101-I103 HydrophobicContact CD1-CG2 4.09Å; F101-I103 HydrophobicContact CE1-CG2 3.4Å; F101-I103 VanDerWaalsContact CE1-CG2 3.4Å; F101-I103 HydrophobicContact CZ-CG2 4.03Å; I103-I118 HydrophobicContact CD1-CD1 4.25Å |
| 104 | V | 95 | Very high | 91 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.4 | -177.9 | 174.9 | 0 | 0 | 0 | 0 | 107.7 | R16 Q18 N88 H90 L91 | R16-V104 HydrophobicContact CB-CB 4.07Å; R16-V104 PolarHBondContact N-O 2.83Å; R16-V104 PolarHBondContact O-N 3.31Å; Q18-V104 HydrophobicContact CB-CG2 4.1Å; N88-V104 HydrophobicContact CB-CG1 4.14Å; N88-V104 HydrophobicContact CB-CG2 3.84Å; N88-V104 WeakPolarHBondContact OD1-CG2 3.36Å; H90-V104 WeakPolarHBondContact O-CA 3.19Å; L91-V104 HydrophobicContact CD2-CG2 3.39Å; L91-V104 HydrophobicContact CG-CG2 4.31Å |
| 105 | A | 94.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | trans | -80.5 | 157.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L15 H90 E110 Q111 | L15-A105 HydrophobicContact CD2-CB 4Å; H90-A105 HydrophobicContact CB-CB 4.2Å; H90-A105 PolarHBondContact O-N 3.47Å; A105-E110 WeakPolarHBondContact CA-OE2 3.45Å; A105-E110 HydrophobicContact CB-CB 4.03Å; A105-E110 HydrophobicContact CB-CG 3.86Å; A105-Q111 HydrophobicContact CB-CB 4.03Å | ||
| 106 | E | 91.4 | Very high | 91.4 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -86.5 | -15.4 | 176.7 | -63.3 | -172.2 | 154.5 | 0 | 0 | 112.3 | R16 K23 E110 | R16-E106 IonicContact CZ-OE1 2.71Å; R16-E106 IonicContact NE-OE1 2.85Å; R16-E106 PolarHBondContact NE-OE1 2.8Å; R16-E106 IonicContact NH2-OE1 3.23Å; R16-E106 PolarHBondContact NH2-OE1 3.34Å; K23-E106 WeakPolarHBondContact CE-OE1 3.49Å; K23-E106 IonicContact NZ-OE1 2.89Å; K23-E106 PolarHBondContact NZ-OE1 2.97Å; K23-E106 IonicContact NZ-OE2 2.76Å; K23-E106 PolarHBondContact NZ-OE2 2.98Å; E106-E110 PolarHBondContact N-OE2 2.69Å |
| 107 | N | 93.1 | Very high | 91.6 | Very high | 93 Ų | 93 | 53 Ų | 53 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -141.2 | 157.6 | -179.6 | -62.4 | 94.6 | 0 | 0 | 0 | 112.1 | E110 Q111 | N107-E110 HydrophobicContact CB-CB 4.25Å; N107-E110 PolarHBondContact O-N 2.99Å; N107-Q111 PolarHBondContact O-N 2.87Å |
| 108 | E | 92.6 | Very high | 92.2 | Very high | 137 Ų | 137 | 49 Ų | 49 | 64% | 0.64 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 172.7 | -166.7 | 173.3 | 167.5 | 0 | 0 | 112.6 | Q111 E112 | E108-Q111 VanDerWaalsContact O-CB 3.32Å; E108-Q111 WeakPolarHBondContact O-CB 3.37Å; E108-Q111 PolarHBondContact O-N 3.47Å; E108-E112 PolarHBondContact O-N 2.88Å |
| 109 | T | 93.5 | Very high | 92.5 | Very high | 107 Ų | 107 | 46.8 Ų | 46.8 | 66% | 0.656 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.5 | -46 | 174.1 | 47.6 | 0 | 0 | 0 | 0 | 111.3 | Q111 E112 D113 | T109-Q111 VanDerWaalsContact C-N 3.31Å; T109-Q111 PolarHBondContact O-N 2.95Å; T109-E112 PolarHBondContact O-N 2.92Å; T109-D113 VanDerWaalsContact O-CB 3.26Å; T109-D113 WeakPolarHBondContact O-CB 3.36Å; T109-D113 PolarHBondContact O-N 3.08Å |
| 110 | E | 93.8 | Very high | 92.7 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -38.9 | 173.8 | -178.1 | 180 | -139.5 | 0 | 0 | 111.6 | L15 A105 E106 N107 E112 D113 W114 | L15-E110 VanDerWaalsContact CD2-CD 3.42Å; L15-E110 HydrophobicContact CD2-CG 4Å; L15-E110 WeakPolarHBondContact CD2-OE1 3.43Å; A105-E110 WeakPolarHBondContact CA-OE2 3.45Å; A105-E110 HydrophobicContact CB-CB 4.03Å; A105-E110 HydrophobicContact CB-CG 3.86Å; E106-E110 PolarHBondContact N-OE2 2.69Å; N107-E110 HydrophobicContact CB-CB 4.25Å; N107-E110 PolarHBondContact O-N 2.99Å; E110-E112 PolarHBondContact O-N 2.84Å; E110-D113 PolarHBondContact O-N 2.73Å; E110-W114 VanDerWaalsContact CG-CD1 3.47Å; E110-W114 VanDerWaalsContact O-CD1 3.27Å; E110-W114 PolarHBondContact O-N 2.74Å |
| 111 | Q | 94.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 176.1 | -171.6 | -174.2 | 5.6 | 0 | 0 | 111.8 | R83 H90 L91 I92 A105 N107 E108 T109 Y115 | R83-Q111 PolarHBondContact O-NE2 2.65Å; R83-Q111 VanDerWaalsContact O-NE2 3.13Å; H90-Q111 VanDerWaalsContact CA-CD 3.47Å; H90-Q111 HydrophobicContact CB-CB 4.16Å; H90-Q111 HydrophobicContact CB-CG 4.34Å; H90-Q111 PolarHBondContact ND1-OE1 2.79Å; L91-Q111 PolarHBondContact O-NE2 3.48Å; I92-Q111 WeakPolarHBondContact CD1-O 3.39Å; I92-Q111 HydrophobicContact CG1-CG 3.95Å; A105-Q111 HydrophobicContact CB-CB 4.03Å; N107-Q111 PolarHBondContact O-N 2.87Å; E108-Q111 VanDerWaalsContact O-CB 3.32Å; E108-Q111 WeakPolarHBondContact O-CB 3.37Å; E108-Q111 PolarHBondContact O-N 3.47Å; T109-Q111 VanDerWaalsContact C-N 3.31Å; T109-Q111 PolarHBondContact O-N 2.95Å; Q111-Y115 WeakPolarHBondContact O-CB 3.4Å; Q111-Y115 PolarHBondContact O-N 3.03Å |
| 112 | E | 94.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 43.9 Ų | 43.9 | 33% | 0.327 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.9 | -49.7 | 177.4 | -161.5 | 63.4 | -130 | 0 | 0 | 111.2 | K82 E108 T109 E110 W114 Y115 V116 | K82-E112 VanDerWaalsContact CD-OE2 3.28Å; K82-E112 WeakPolarHBondContact CD-OE2 3.4Å; K82-E112 IonicContact NZ-OE1 2.69Å; K82-E112 PolarHBondContact NZ-OE1 2.91Å; K82-E112 IonicContact NZ-OE2 3.7Å; K82-E112 PolarHBondContact NZ-OE2 2.77Å; E108-E112 PolarHBondContact O-N 2.88Å; T109-E112 PolarHBondContact O-N 2.92Å; E110-E112 PolarHBondContact O-N 2.84Å; E112-W114 VanDerWaalsContact C-N 3.31Å; E112-W114 PolarHBondContact O-N 3.01Å; E112-Y115 PolarHBondContact O-N 2.73Å; E112-Y115 WeakPolarHBondContact OE1-CD1 3.26Å; E112-V116 HydrophobicContact CG-CG2 4.26Å; E112-V116 WeakPolarHBondContact O-CB 3.39Å; E112-V116 WeakPolarHBondContact O-CG2 3.43Å; E112-V116 PolarHBondContact O-N 2.83Å |
| 113 | D | 94.6 | Very high | 91.6 | Very high | 91 Ų | 91 | 46.4 Ų | 46.4 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -50.2 | -45.9 | 178.2 | -110.8 | 40.5 | 0 | 0 | 0 | 113.5 | K11 T109 E110 A117 | K11-D113 IonicContact NZ-OD2 2.85Å; K11-D113 PolarHBondContact NZ-OD2 3.44Å; T109-D113 VanDerWaalsContact O-CB 3.26Å; T109-D113 WeakPolarHBondContact O-CB 3.36Å; T109-D113 PolarHBondContact O-N 3.08Å; E110-D113 PolarHBondContact O-N 2.73Å; D113-A117 WeakPolarHBondContact O-CB 3.2Å; D113-A117 PolarHBondContact O-N 3.16Å |
| 114 | W | 94.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -79.7 | -34 | 177.9 | -81.4 | 95.1 | 0 | 0 | 0 | 112.3 | K11 L15 F26 L28 L39 I92 E110 E112 I118 | K11-W114 HydrophobicContact CB-CZ3 4.4Å; K11-W114 HydrophobicContact CD-CD2 3.7Å; K11-W114 HydrophobicContact CD-CE3 4.07Å; K11-W114 HydrophobicContact CD-CG 3.94Å; K11-W114 HydrophobicContact CD-CZ2 4.45Å; K11-W114 HydrophobicContact CG-CD2 4.38Å; K11-W114 HydrophobicContact CG-CH2 4.44Å; K11-W114 HydrophobicContact CG-CZ2 4.29Å; L15-W114 HydrophobicContact CD1-CD2 3.78Å; L15-W114 HydrophobicContact CD1-CE3 4.15Å; L15-W114 HydrophobicContact CD1-CG 4.09Å; L15-W114 HydrophobicContact CD1-CZ2 4.18Å; L15-W114 HydrophobicContact CD1-CZ3 4.5Å; L15-W114 HydrophobicContact CG-CZ2 4.35Å; F26-W114 HydrophobicContact CB-CH2 3.61Å; F26-W114 HydrophobicContact CB-CZ2 4.27Å; F26-W114 HydrophobicContact CB-CZ3 4.09Å; L28-W114 HydrophobicContact CB-CZ3 3.94Å; L39-W114 HydrophobicContact CD1-CZ3 3.97Å; I92-W114 HydrophobicContact CD1-CB 3.35Å; I92-W114 HydrophobicContact CD1-CG 4.46Å; E110-W114 VanDerWaalsContact CG-CD1 3.47Å; E110-W114 VanDerWaalsContact O-CD1 3.27Å; E110-W114 PolarHBondContact O-N 2.74Å; E112-W114 VanDerWaalsContact C-N 3.31Å; E112-W114 PolarHBondContact O-N 3.01Å; W114-I118 HydrophobicContact CE3-CD1 4.46Å; W114-I118 WeakPolarHBondContact O-CB 3.3Å; W114-I118 WeakPolarHBondContact O-CD1 3.43Å; W114-I118 WeakPolarHBondContact O-CG1 3.24Å; W114-I118 PolarHBondContact O-N 3.48Å |
| 115 | Y | 93.1 | Very high | 88.5 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 24% | 0.239 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 175.4 | 168.6 | -100 | 0 | 0 | 0 | 111.4 | V80 K82 Q111 E112 I118 S119 | V80-Y115 HydrophobicContact CG1-CD2 4.03Å; V80-Y115 HydrophobicContact CG1-CE2 3.83Å; V80-Y115 HydrophobicContact CG2-CD2 4.37Å; K82-Y115 HydrophobicContact CD-CD1 3.65Å; K82-Y115 HydrophobicContact CD-CD2 4.26Å; K82-Y115 HydrophobicContact CD-CE1 4.15Å; K82-Y115 HydrophobicContact CD-CG 3.71Å; K82-Y115 HydrophobicContact CG-CD1 3.93Å; K82-Y115 HydrophobicContact CG-CD2 3.57Å; K82-Y115 HydrophobicContact CG-CE1 4.4Å; K82-Y115 HydrophobicContact CG-CE2 4.05Å; K82-Y115 HydrophobicContact CG-CG 3.49Å; K82-Y115 VanDerWaalsContact CG-CG 3.49Å; Q111-Y115 WeakPolarHBondContact O-CB 3.4Å; Q111-Y115 PolarHBondContact O-N 3.03Å; E112-Y115 PolarHBondContact O-N 2.73Å; E112-Y115 WeakPolarHBondContact OE1-CD1 3.26Å; Y115-I118 PolarHBondContact O-N 2.78Å; Y115-S119 VanDerWaalsContact O-CB 3.25Å; Y115-S119 WeakPolarHBondContact O-CB 3.34Å; Y115-S119 PolarHBondContact O-N 3.35Å; Y115-S119 PolarHBondContact O-OG 3.13Å |
| 116 | V | 93 | Very high | 86.5 | Confident | 76 Ų | 76 | 56.2 Ų | 56.2 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -51.8 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | E112 I118 S119 E120 | E112-V116 HydrophobicContact CG-CG2 4.26Å; E112-V116 WeakPolarHBondContact O-CB 3.39Å; E112-V116 WeakPolarHBondContact O-CG2 3.43Å; E112-V116 PolarHBondContact O-N 2.83Å; V116-I118 VanDerWaalsContact C-N 3.33Å; V116-I118 PolarHBondContact O-N 2.91Å; V116-S119 PolarHBondContact O-N 3.13Å; V116-S119 VanDerWaalsContact O-N 3.12Å; V116-E120 VanDerWaalsContact O-CB 3.3Å; V116-E120 WeakPolarHBondContact O-CB 2.99Å; V116-E120 PolarHBondContact O-N 2.85Å |
| 117 | A | 93.1 | Very high | 84.3 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 8% | 0.083 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -36.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K11 L28 D113 L121 | K11-A117 HydrophobicContact CD-CB 4.06Å; L28-A117 HydrophobicContact CD2-CB 3.66Å; D113-A117 WeakPolarHBondContact O-CB 3.2Å; D113-A117 PolarHBondContact O-N 3.16Å; A117-L121 WeakPolarHBondContact O-CG 3.32Å; A117-L121 PolarHBondContact O-N 3Å |
| 118 | I | 92.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.1 | -40.1 | 174.5 | -67.4 | 166.7 | 0 | 0 | 0 | 110.9 | L28 L39 L74 V80 I92 L94 I103 W114 Y115 V116 L121 M122 | L28-I118 HydrophobicContact CD1-CG1 3.91Å; L28-I118 HydrophobicContact CD2-CG1 3.91Å; L39-I118 HydrophobicContact CD2-CD1 4.31Å; L74-I118 HydrophobicContact CD2-CG2 4.41Å; V80-I118 HydrophobicContact CB-CG2 4.29Å; V80-I118 HydrophobicContact CG1-CG2 4.27Å; V80-I118 HydrophobicContact CG2-CG2 4.11Å; I92-I118 HydrophobicContact CG2-CD1 4.46Å; L94-I118 HydrophobicContact CD1-CD1 4.39Å; L94-I118 HydrophobicContact CD2-CG2 4.26Å; I103-I118 HydrophobicContact CD1-CD1 4.25Å; W114-I118 HydrophobicContact CE3-CD1 4.46Å; W114-I118 WeakPolarHBondContact O-CB 3.3Å; W114-I118 WeakPolarHBondContact O-CD1 3.43Å; W114-I118 WeakPolarHBondContact O-CG1 3.24Å; W114-I118 PolarHBondContact O-N 3.48Å; Y115-I118 PolarHBondContact O-N 2.78Å; V116-I118 VanDerWaalsContact C-N 3.33Å; V116-I118 PolarHBondContact O-N 2.91Å; I118-L121 PolarHBondContact O-N 2.85Å; I118-M122 HydrophobicContact CG2-CG 4.45Å; I118-M122 HydrophobicContact CG2-SD 4.33Å; I118-M122 WeakPolarHBondContact O-CB 3.3Å; I118-M122 WeakPolarHBondContact O-CG 3.47Å; I118-M122 PolarHBondContact O-N 2.99Å |
| 119 | S | 89.1 | Confident | 79 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 179.7 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | V80 Y115 V116 M122 S123 | V80-S119 VanDerWaalsContact CG1-OG 3.28Å; V80-S119 WeakPolarHBondContact CG1-OG 3.25Å; Y115-S119 VanDerWaalsContact O-CB 3.25Å; Y115-S119 WeakPolarHBondContact O-CB 3.34Å; Y115-S119 PolarHBondContact O-N 3.35Å; Y115-S119 PolarHBondContact O-OG 3.13Å; V116-S119 PolarHBondContact O-N 3.13Å; V116-S119 VanDerWaalsContact O-N 3.12Å; S119-M122 PolarHBondContact O-N 3.39Å; S119-S123 PolarHBondContact O-N 3.26Å |
| 120 | E | 89.8 | Confident | 76.5 | Confident | 67 Ų | 67 | 60.6 Ų | 60.6 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58 | -50.2 | 174.2 | 179.7 | -176 | -128.8 | 0 | 0 | 111.2 | R10 V116 M122 S123 E124 | R10-E120 IonicContact CZ-OE1 3.3Å; R10-E120 IonicContact CZ-OE2 3.14Å; R10-E120 VanDerWaalsContact CZ-OE2 3.23Å; R10-E120 IonicContact NE-OE2 2.72Å; R10-E120 PolarHBondContact NE-OE2 2.85Å; R10-E120 IonicContact NH2-OE1 3.73Å; R10-E120 PolarHBondContact NH2-OE1 2.91Å; R10-E120 IonicContact NH2-OE2 2.77Å; R10-E120 PolarHBondContact NH2-OE2 2.98Å; V116-E120 VanDerWaalsContact O-CB 3.3Å; V116-E120 WeakPolarHBondContact O-CB 2.99Å; V116-E120 PolarHBondContact O-N 2.85Å; E120-M122 PolarHBondContact O-N 3.5Å; E120-S123 PolarHBondContact O-N 3.01Å; E120-S123 PolarHBondContact O-OG 2.71Å; E120-E124 VanDerWaalsContact O-CB 3.3Å; E120-E124 WeakPolarHBondContact O-CB 3.28Å; E120-E124 PolarHBondContact O-N 2.72Å |
| 121 | L | 87.5 | Confident | 73.8 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72.8 | -28 | 179.1 | -64.3 | -179.1 | 0 | 0 | 0 | 113.6 | R10 L28 A30 L74 A117 I118 E124 G125 | R10-L121 HydrophobicContact CB-CD1 3.87Å; R10-L121 HydrophobicContact CG-CD1 4.1Å; R10-L121 HydrophobicContact CG-CD2 4.39Å; R10-L121 HydrophobicContact CG-CG 4.34Å; L28-L121 HydrophobicContact CD1-CD1 3.91Å; L28-L121 HydrophobicContact CD2-CD1 3.85Å; L28-L121 HydrophobicContact CG-CD1 3.59Å; A30-L121 HydrophobicContact CB-CD2 4Å; L74-L121 HydrophobicContact CD1-CB 3.49Å; L74-L121 VanDerWaalsContact CD1-CB 3.49Å; L74-L121 HydrophobicContact CD1-CD1 4.26Å; A117-L121 WeakPolarHBondContact O-CG 3.32Å; A117-L121 PolarHBondContact O-N 3Å; I118-L121 PolarHBondContact O-N 2.85Å; L121-E124 VanDerWaalsContact CD2-OE2 3.24Å; L121-E124 WeakPolarHBondContact CD2-OE2 3.36Å; L121-G125 PolarHBondContact O-N 3Å; L121-G125 VanDerWaalsContact O-N 3.13Å |
| 122 | M | 82.8 | Confident | 71 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -74.2 | -27.3 | 172.1 | -76.7 | -166.8 | -27.4 | 0 | 0 | 113.5 | L74 C77 V80 I118 S119 E120 | L74-M122 HydrophobicContact CB-CG 3.96Å; L74-M122 HydrophobicContact CD1-CG 4.14Å; L74-M122 HydrophobicContact CG-CG 4.43Å; C77-M122 HydrophobicContact CB-SD 3.48Å; C77-M122 WeakPolarHBondContact CB-SD 3.5Å; V80-M122 HydrophobicContact CB-CE 3.64Å; V80-M122 HydrophobicContact CB-SD 4.32Å; V80-M122 HydrophobicContact CG1-CE 3.34Å; V80-M122 HydrophobicContact CG1-SD 4.49Å; I118-M122 HydrophobicContact CG2-CG 4.45Å; I118-M122 HydrophobicContact CG2-SD 4.33Å; I118-M122 WeakPolarHBondContact O-CB 3.3Å; I118-M122 WeakPolarHBondContact O-CG 3.47Å; I118-M122 PolarHBondContact O-N 2.99Å; S119-M122 PolarHBondContact O-N 3.39Å; E120-M122 PolarHBondContact O-N 3.5Å |
| 123 | S | 76.4 | Confident | 68.5 | Low | 60 Ų | 60 | 73.1 Ų | 73.1 | 42% | 0.42 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -77.8 | -42.4 | 169.4 | 74.2 | 0 | 0 | 0 | 0 | 110.1 | S119 E120 G125 K126 R127 | S119-S123 PolarHBondContact O-N 3.26Å; E120-S123 PolarHBondContact O-N 3.01Å; E120-S123 PolarHBondContact O-OG 2.71Å; S123-G125 PolarHBondContact O-N 3.5Å; S123-K126 CarbonylContact O-C 3.53Å; S123-K126 WeakPolarHBondContact O-CA 3.45Å; S123-K126 WeakPolarHBondContact O-CB 3.47Å; S123-K126 PolarHBondContact O-N 3.5Å; S123-R127 VanDerWaalsContact O-CG 3.31Å; S123-R127 WeakPolarHBondContact O-CG 3.48Å; S123-R127 PolarHBondContact O-N 2.96Å |
| 124 | E | 68.2 | Low | 65.8 | Low | 68 Ų | 68 | 75.6 Ų | 75.6 | 32% | 0.318 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -49.7 | -50.9 | 175.6 | -173.8 | 148.5 | -91.9 | 0 | 0 | 113.3 | E120 L121 K126 R127 | E120-E124 VanDerWaalsContact O-CB 3.3Å; E120-E124 WeakPolarHBondContact O-CB 3.28Å; E120-E124 PolarHBondContact O-N 2.72Å; L121-E124 VanDerWaalsContact CD2-OE2 3.24Å; L121-E124 WeakPolarHBondContact CD2-OE2 3.36Å; E124-K126 PolarHBondContact O-N 3.38Å; E124-R127 VanDerWaalsContact CB-NH1 3.29Å; E124-R127 PolarHBondContact O-N 2.8Å; E124-R127 IonicContact OE1-CZ 2.6Å; E124-R127 IonicContact OE1-NH1 3.9Å; E124-R127 PolarHBondContact OE1-NH1 2.91Å; E124-R127 IonicContact OE1-NH2 3.95Å; E124-R127 PolarHBondContact OE1-NH2 3.32Å |
| 125 | G | 56.6 | Low | 63.8 | Low | 66 Ų | 66 | 83.6 Ų | 83.6 | 68% | 0.68 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.1 | -8.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L121 S123 | L121-G125 PolarHBondContact O-N 3Å; L121-G125 VanDerWaalsContact O-N 3.13Å; S123-G125 PolarHBondContact O-N 3.5Å |
| 126 | K | 53.1 | Low | 61.2 | Low | 89 Ų | 89 | 87 Ų | 87 | 39% | 0.387 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -108.7 | -18.4 | 174.4 | -58.6 | 179.7 | -174.6 | -176.4 | 0 | 113.1 | S123 E124 G128 H129 | S123-K126 CarbonylContact O-C 3.53Å; S123-K126 WeakPolarHBondContact O-CA 3.45Å; S123-K126 WeakPolarHBondContact O-CB 3.47Å; S123-K126 PolarHBondContact O-N 3.5Å; E124-K126 PolarHBondContact O-N 3.38Å; K126-G128 PolarHBondContact O-N 3.35Å; K126-H129 PolarHBondContact O-N 2.94Å |
| 127 | R | 44.8 | Very low | 58.8 | Low | 138 Ų | 138 | 89.2 Ų | 89.2 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -15.8 | 175.6 | -52.2 | -167.9 | -42.1 | -107.6 | 0.2 | 113.1 | S123 E124 H129 | S123-R127 VanDerWaalsContact O-CG 3.31Å; S123-R127 WeakPolarHBondContact O-CG 3.48Å; S123-R127 PolarHBondContact O-N 2.96Å; E124-R127 VanDerWaalsContact CB-NH1 3.29Å; E124-R127 PolarHBondContact O-N 2.8Å; E124-R127 IonicContact OE1-CZ 2.6Å; E124-R127 IonicContact OE1-NH1 3.9Å; E124-R127 PolarHBondContact OE1-NH1 2.91Å; E124-R127 IonicContact OE1-NH2 3.95Å; E124-R127 PolarHBondContact OE1-NH2 3.32Å; R127-H129 PolarHBondContact O-N 2.83Å |
| 128 | G | 38.4 | Very low | 56.3 | Low | 81 Ų | 81 | 90.4 Ų | 90.4 | 84% | 0.835 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -3.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | K126 | K126-G128 PolarHBondContact O-N 3.35Š|
| 129 | H | 36.3 | Very low | 53.8 | Low | 163 Ų | 163 | 99.9 Ų | 99.9 | 76% | 0.755 | 56% | 0.556 | S | S | * | * | trans | -143.4 | 75.5 | 173 | -174.1 | 14.1 | 0 | 0 | 0 | 109.9 | K126 R127 | K126-H129 PolarHBondContact O-N 2.94Å; R127-H129 PolarHBondContact O-N 2.83Å | ||
| 130 | V | 40 | Very low | 51.7 | Low | 123 Ų | 123 | 99.7 Ų | 99.7 | 75% | 0.745 | 56% | 0.558 | S | S | * | * | trans | -118.1 | 94.8 | 161.7 | -77.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 131 | D | 37.1 | Very low | 49.1 | Very low | 147 Ų | 147 | 101.8 Ų | 101.8 | 79% | 0.786 | 58% | 0.576 | S | S | * | * | trans | -142.8 | 144.1 | 161.7 | -159.2 | -7.6 | 0 | 0 | 0 | 106.5 | ||||
| 132 | S | 35.7 | Very low | 47.2 | Very low | 82 Ų | 82 | 103.4 Ų | 103.4 | 57% | 0.573 | 59% | 0.586 | S | S | * | * | trans | 56.5 | 132.5 | -143.7 | -96.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 133 | D | 42.5 | Very low | 45 | Very low | 159 Ų | 159 | 105.7 Ų | 105.7 | 85% | 0.85 | 60% | 0.603 | S | S | * | * | cis | 51.7 | 62.8 | 20.7 | -153.7 | 37.9 | 0 | 0 | 0 | 113 | ||||
| 134 | D | 38.4 | Very low | 43.2 | Very low | 144 Ų | 144 | 108 Ų | 108 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | trans | -146.3 | 117.6 | 152.7 | -132.1 | -32.3 | 0 | 0 | 0 | 109.2 | D136 | D134-D136 VanDerWaalsContact C-N 3.32Å; D134-D136 PolarHBondContact O-N 2.86Å | ||
| 135 | L | 51.5 | Low | 41.9 | Very low | 170 Ų | 170 | 106.9 Ų | 106.9 | 89% | 0.89 | 62% | 0.624 | S | S | * | * | trans | -96.8 | 51.9 | -169.2 | -151.8 | 162.2 | 0 | 0 | 0 | 110.5 | ||||
| 136 | D | 38.3 | Very low | 41.8 | Very low | 133 Ų | 133 | 106.7 Ų | 106.7 | 71% | 0.711 | 61% | 0.609 | S | S | * | * | trans | -79.4 | 122.5 | -179.6 | -176.5 | 37 | 0 | 0 | 0 | 112 | D134 G138 | D134-D136 VanDerWaalsContact C-N 3.32Å; D134-D136 PolarHBondContact O-N 2.86Å; D136-G138 PolarHBondContact O-N 2.84Å; D136-G138 WeakPolarHBondContact OD2-CA 3.27Å | ||
| 137 | D | 43.1 | Very low | 42 | Very low | 122 Ų | 122 | 108.4 Ų | 108.4 | 65% | 0.652 | 63% | 0.627 | S | S | * | * | trans | -83.2 | 48.2 | 173.9 | -154.3 | 2.9 | 0 | 0 | 0 | 110 | K178 | D137-K178 IonicContact OD1-NZ 3.09Å; D137-K178 PolarHBondContact OD1-NZ 2.98Å; D137-K178 IonicContact OD2-NZ 3.17Å; D137-K178 PolarHBondContact OD2-NZ 3.03Å | ||
| 138 | G | 41.2 | Very low | 43.6 | Very low | 36 Ų | 36 | 102.4 Ų | 102.4 | 37% | 0.371 | 61% | 0.605 | S | S | . | * | trans | -61.5 | 126.2 | -156.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D136 G140 | D136-G138 PolarHBondContact O-N 2.84Å; D136-G138 WeakPolarHBondContact OD2-CA 3.27Å; G138-G140 PolarHBondContact O-N 2.89Å | ||
| 139 | Y | 39.5 | Very low | 45.7 | Very low | 198 Ų | 198 | 103.2 Ų | 103.2 | 78% | 0.776 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -74.9 | 78.2 | -171.3 | -171.3 | -99 | 0 | 0 | 0 | 113.8 | Q195 | Y139-Q195 PolarHBondContact OH-NE2 2.93Š|
| 140 | G | 44.3 | Very low | 48.1 | Very low | 25 Ų | 25 | 96.8 Ų | 96.8 | 26% | 0.258 | 56% | 0.556 | S | S | . | * | S | Bend | trans | 106.4 | -2.1 | 146.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | G138 | G138-G140 PolarHBondContact O-N 2.89Š|
| 141 | T | 35.7 | Very low | 50.6 | Low | 112 Ų | 112 | 90.9 Ų | 90.9 | 69% | 0.687 | 52% | 0.52 | S | S | * | . | trans | -78.4 | 120.3 | 170.5 | 38.8 | 0 | 0 | 0 | 0 | 111.5 | S143 | T141-S143 VanDerWaalsContact C-N 3.3Å; T141-S143 PolarHBondContact O-N 3.12Å | ||
| 142 | V | 46.6 | Very low | 53.2 | Low | 36 Ų | 36 | 84.1 Ų | 84.1 | 22% | 0.218 | 48% | 0.483 | C | S | . | . | trans | -79.8 | 81 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | F148 H181 P190 | V142-F148 HydrophobicContact CB-CZ 4.43Å; V142-F148 HydrophobicContact CG1-CE2 3.86Å; V142-F148 HydrophobicContact CG1-CZ 3.57Å; V142-F148 HydrophobicContact CG2-CZ 3.93Å; V142-H181 HydrophobicContact CG2-CB 4.36Å; V142-H181 VanDerWaalsContact CG2-ND1 3.33Å; V142-H181 WeakPolarHBondContact CG2-ND1 3.48Å; V142-P190 HydrophobicContact CG2-CB 4.38Å; V142-P190 HydrophobicContact CG2-CG 3.94Å | ||
| 143 | S | 37.4 | Very low | 55.9 | Low | 67 Ų | 67 | 81.7 Ų | 81.7 | 47% | 0.469 | 46% | 0.463 | S | S | . | . | trans | -68.5 | 150.1 | 172.2 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | T141 G145 T146 | T141-S143 VanDerWaalsContact C-N 3.3Å; T141-S143 PolarHBondContact O-N 3.12Å; S143-G145 PolarHBondContact O-N 2.69Å; S143-T146 PolarHBondContact O-N 3.47Å; S143-T146 VanDerWaalsContact O-N 3.11Å; S143-T146 PolarHBondContact O-OG1 2.82Å | ||
| 144 | P | 37.9 | Very low | 58.3 | Low | 110 Ų | 110 | 74.2 Ų | 74.2 | 71% | 0.714 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 33.8 | 175.8 | -26.1 | 37 | 0 | 0 | 0 | 117.4 | ||
| 145 | G | 40.7 | Very low | 61 | Low | 44 Ų | 44 | 70.1 Ų | 70.1 | 45% | 0.454 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.2 | -13.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S143 V147 | S143-G145 PolarHBondContact O-N 2.69Å; G145-V147 PolarHBondContact O-N 3.33Å |
| 146 | T | 55.9 | Low | 63.1 | Low | 61 Ų | 61 | 62 Ų | 62 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | trans | -65.7 | 107 | -179.2 | 59.5 | 0 | 0 | 0 | 0 | 111.1 | S143 F148 | S143-T146 PolarHBondContact O-N 3.47Å; S143-T146 VanDerWaalsContact O-N 3.11Å; S143-T146 PolarHBondContact O-OG1 2.82Å; T146-F148 PolarHBondContact O-N 3Å; T146-F148 VanDerWaalsContact O-N 3.09Å | ||
| 147 | V | 57.8 | Low | 65.9 | Low | 126 Ų | 126 | 58 Ų | 58 | 76% | 0.764 | 34% | 0.335 | S | S | * | . | trans | -75.6 | 98.6 | 178.3 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | G145 | G145-V147 PolarHBondContact O-N 3.33Š| ||
| 148 | F | 77.6 | Confident | 68.4 | Low | 11 Ų | 11 | 55.6 Ų | 55.6 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | trans | -63.3 | 132.2 | 169.6 | -64.7 | -66.2 | 0 | 0 | 0 | 110.4 | F78 V142 T146 E150 V151 C174 L175 H181 | F78-F148 HydrophobicContact CD2-CD2 4.36Å; F78-F148 HydrophobicContact CE2-CD2 4.3Å; F78-F148 HydrophobicContact CE2-CE2 4.48Å; V142-F148 HydrophobicContact CB-CZ 4.43Å; V142-F148 HydrophobicContact CG1-CE2 3.86Å; V142-F148 HydrophobicContact CG1-CZ 3.57Å; V142-F148 HydrophobicContact CG2-CZ 3.93Å; T146-F148 PolarHBondContact O-N 3Å; T146-F148 VanDerWaalsContact O-N 3.09Å; F148-E150 VanDerWaalsContact C-N 3.27Å; F148-E150 PolarHBondContact O-N 3.28Å; F148-V151 HydrophobicContact CB-CG2 3.74Å; F148-V151 HydrophobicContact CD2-CG2 4.19Å; F148-V151 HydrophobicContact CG-CG2 4.17Å; F148-C174 HydrophobicContact CD1-CB 3.62Å; F148-C174 HydrophobicContact CD2-CB 3.86Å; F148-C174 HydrophobicContact CE1-CB 3.61Å; F148-C174 HydrophobicContact CE2-CB 3.85Å; F148-C174 HydrophobicContact CG-CB 3.74Å; F148-C174 HydrophobicContact CZ-CB 3.71Å; F148-L175 CarbonylContact C-O 3.58Å; F148-H181 HydrophobicContact CE1-CB 4.31Å; F148-H181 AromaticContact CE1-CD2 3.86Å; F148-H181 HydrophobicContact CZ-CB 4.48Å | ||
| 149 | K | 82.1 | Confident | 70.8 | Confident | 99 Ų | 99 | 59.3 Ų | 59.3 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -57.4 | -45 | 175.7 | -174.1 | -164.2 | 173.8 | -171.3 | 0 | 110 | L175 E243 T244 | K149-L175 PolarHBondContact N-O 3.35Å; K149-E243 IonicContact NZ-OE2 3.04Å; K149-E243 PolarHBondContact NZ-OE2 3.08Å; K149-T244 HydrophobicContact CD-CG2 3.87Å |
| 150 | E | 87.8 | Confident | 73.4 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 147.8 | -179.9 | -73.5 | -155.1 | -130.4 | 0 | 0 | 112 | N81 R83 F148 W152 L175 T240 | N81-E150 WeakPolarHBondContact OD1-CA 3.45Å; R83-E150 IonicContact CZ-OE2 3.88Å; R83-E150 IonicContact NH1-OE2 3.31Å; R83-E150 PolarHBondContact NH1-OE2 2.76Å; R83-E150 IonicContact NH2-OE2 3.14Å; R83-E150 PolarHBondContact NH2-OE2 2.74Å; F148-E150 VanDerWaalsContact C-N 3.27Å; F148-E150 PolarHBondContact O-N 3.28Å; E150-W152 HydrophobicContact CB-CE3 4.5Å; E150-W152 HydrophobicContact CB-CH2 3.51Å; E150-W152 HydrophobicContact CB-CZ2 3.87Å; E150-W152 HydrophobicContact CB-CZ3 3.85Å; E150-W152 HydrophobicContact CG-CH2 4.36Å; E150-W152 HydrophobicContact CG-CZ2 4.42Å; E150-W152 WeakPolarHBondContact OE2-CZ2 3.06Å; E150-L175 PolarHBondContact N-O 3.2Å; E150-L175 PolarHBondContact O-N 2.89Å; E150-T240 HydrophobicContact CG-CG2 4.16Å; E150-T240 WeakPolarHBondContact OE1-CB 3.26Å; E150-T240 WeakPolarHBondContact OE1-CG2 3.24Å; E150-T240 PolarHBondContact OE1-OG1 2.8Å |
| 151 | V | 91.2 | Very high | 75.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.9 | 173.1 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | F78 T79 N81 R83 Y95 F148 R172 L173 C174 | F78-V151 HydrophobicContact CE2-CG1 4.44Å; F78-V151 HydrophobicContact CE2-CG2 4.22Å; F78-V151 HydrophobicContact CZ-CG1 4.38Å; T79-V151 HydrophobicContact CG2-CB 3.92Å; T79-V151 HydrophobicContact CG2-CG2 3.58Å; N81-V151 PolarHBondContact ND2-N 2.89Å; R83-V151 PolarHBondContact NE-O 3.48Å; R83-V151 PolarHBondContact NH2-O 2.84Å; Y95-V151 HydrophobicContact CD1-CG1 3.8Å; Y95-V151 HydrophobicContact CD2-CB 4.5Å; Y95-V151 HydrophobicContact CE1-CB 4.47Å; Y95-V151 HydrophobicContact CE1-CG1 3.85Å; Y95-V151 HydrophobicContact CE2-CB 4.42Å; Y95-V151 HydrophobicContact CG-CG1 4.17Å; Y95-V151 PolarHBondContact OH-O 3.18Å; F148-V151 HydrophobicContact CB-CG2 3.74Å; F148-V151 HydrophobicContact CD2-CG2 4.19Å; F148-V151 HydrophobicContact CG-CG2 4.17Å; V151-R172 HydrophobicContact CG1-CB 4.09Å; V151-L173 WeakPolarHBondContact CA-O 3.46Å; V151-C174 HydrophobicContact CG2-CB 3.99Å |
| 152 | W | 92 | Very high | 78.4 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.4 | 173 | -55.4 | -99.1 | 0 | 0 | 0 | 110.1 | E150 V154 R172 L173 L175 M237 T240 I241 | E150-W152 HydrophobicContact CB-CE3 4.5Å; E150-W152 HydrophobicContact CB-CH2 3.51Å; E150-W152 HydrophobicContact CB-CZ2 3.87Å; E150-W152 HydrophobicContact CB-CZ3 3.85Å; E150-W152 HydrophobicContact CG-CH2 4.36Å; E150-W152 HydrophobicContact CG-CZ2 4.42Å; E150-W152 WeakPolarHBondContact OE2-CZ2 3.06Å; W152-V154 HydrophobicContact CB-CG1 4.06Å; W152-R172 CarbonylContact O-C 3.6Å; W152-R172 VanDerWaalsContact O-CA 3.28Å; W152-R172 WeakPolarHBondContact O-CA 3.49Å; W152-L173 HydrophobicContact CE3-CD2 3.68Å; W152-L173 HydrophobicContact CZ3-CD2 3.72Å; W152-L173 PolarHBondContact N-O 3.02Å; W152-L173 PolarHBondContact O-N 2.83Å; W152-L175 HydrophobicContact CH2-CB 4.33Å; W152-L175 HydrophobicContact CH2-CD2 3.92Å; W152-L175 HydrophobicContact CZ3-CB 3.84Å; W152-L175 HydrophobicContact CZ3-CD2 4.25Å; W152-M237 HydrophobicContact CB-CE 4.06Å; W152-M237 HydrophobicContact CB-CG 4.44Å; W152-M237 HydrophobicContact CB-SD 3.93Å; W152-M237 HydrophobicContact CD2-CE 3.93Å; W152-M237 HydrophobicContact CD2-CG 3.73Å; W152-M237 HydrophobicContact CD2-SD 4.21Å; W152-M237 HydrophobicContact CE3-CE 3.93Å; W152-M237 HydrophobicContact CE3-CG 4.49Å; W152-M237 HydrophobicContact CG-CE 4.03Å; W152-M237 HydrophobicContact CG-CG 3.7Å; W152-M237 HydrophobicContact CG-SD 3.84Å; W152-M237 HydrophobicContact CZ2-CG 4.2Å; W152-T240 HydrophobicContact CH2-CG2 3.88Å; W152-T240 HydrophobicContact CZ2-CG2 4.18Å; W152-I241 HydrophobicContact CH2-CD1 4.44Å; W152-I241 HydrophobicContact CH2-CG1 4.25Å; W152-I241 HydrophobicContact CZ3-CD1 4.33Å; W152-I241 HydrophobicContact CZ3-CG1 4.48Å |
| 153 | Q | 92.5 | Very high | 80.6 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127.7 | 167.1 | -175.4 | 177.6 | -105.7 | 0 | 0 | 108.7 | Y95 Y100 V170 | Y95-Q153 HydrophobicContact CE1-CB 4.42Å; Y100-Q153 HydrophobicContact CD2-CB 4.36Å; Q153-V170 HydrophobicContact CG-CG1 3.64Å |
| 154 | V | 93.8 | Very high | 83.2 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 147.8 | -170.4 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | W152 V156 V170 Y171 L173 L182 M226 V228 M237 | W152-V154 HydrophobicContact CB-CG1 4.06Å; V154-V156 HydrophobicContact CG2-CG2 4.15Å; V154-V170 WeakPolarHBondContact O-CA 3.47Å; V154-Y171 PolarHBondContact N-O 2.96Å; V154-Y171 PolarHBondContact O-N 3.36Å; V154-Y171 VanDerWaalsContact O-O 3.13Å; V154-L173 HydrophobicContact CG1-CB 4.25Å; V154-L173 HydrophobicContact CG2-CB 4.21Å; V154-L182 HydrophobicContact CG2-CD1 4.43Å; V154-M226 HydrophobicContact CB-CB 4.05Å; V154-M226 HydrophobicContact CB-CG 3.97Å; V154-M226 HydrophobicContact CB-SD 3.95Å; V154-M226 HydrophobicContact CG1-CG 4.27Å; V154-M226 HydrophobicContact CG1-SD 3.96Å; V154-M226 HydrophobicContact CG2-CB 4.21Å; V154-M226 HydrophobicContact CG2-CG 4.29Å; V154-M226 HydrophobicContact CG2-SD 3.78Å; V154-V228 HydrophobicContact CB-CG1 4.49Å; V154-V228 HydrophobicContact CG1-CG1 3.92Å; V154-M237 HydrophobicContact CG1-CE 3.89Å; V154-M237 HydrophobicContact CG1-SD 3.91Å |
| 155 | N | 95.1 | Very high | 85.7 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 91.2 | 177 | -173.2 | 4.2 | 0 | 0 | 0 | 110.1 | K157 G169 M226 Q227 | N155-K157 PolarHBondContact ND2-NZ 3.06Å; N155-K157 PolarHBondContact O-N 2.95Å; N155-G169 CarbonylContact C-O 3.55Å; N155-G169 WeakPolarHBondContact CA-O 3.38Å; N155-G169 PolarHBondContact OD1-O 3.34Å; N155-M226 WeakPolarHBondContact O-CA 3.39Å; N155-Q227 HydrophobicContact CB-CB 4.42Å; N155-Q227 PolarHBondContact N-O 3.09Å; N155-Q227 PolarHBondContact O-N 3.49Å |
| 156 | V | 95.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 129 | -179.4 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | V154 L167 T168 G169 Y171 L182 I224 W225 M226 | V154-V156 HydrophobicContact CG2-CG2 4.15Å; V156-L167 WeakPolarHBondContact CB-O 3.25Å; V156-L167 HydrophobicContact CG1-CB 4.33Å; V156-L167 WeakPolarHBondContact CG1-O 3.28Å; V156-T168 WeakPolarHBondContact O-CA 3.3Å; V156-G169 PolarHBondContact N-O 3.1Å; V156-G169 PolarHBondContact O-N 3.36Å; V156-Y171 HydrophobicContact CB-CD2 4Å; V156-Y171 HydrophobicContact CB-CE2 4.32Å; V156-Y171 HydrophobicContact CG2-CD2 3.65Å; V156-Y171 HydrophobicContact CG2-CE2 4.38Å; V156-Y171 HydrophobicContact CG2-CG 4.12Å; V156-L182 HydrophobicContact CG2-CD1 4.27Å; V156-L182 HydrophobicContact CG2-CD2 4.33Å; V156-I224 HydrophobicContact CG1-CG2 3.89Å; V156-W225 WeakPolarHBondContact CA-O 3.17Å; V156-M226 HydrophobicContact CB-CB 4.49Å; V156-M226 HydrophobicContact CG2-CB 4.04Å |
| 157 | K | 96.1 | Very high | 89.8 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 157.2 | -173.9 | -64.5 | -57.9 | -174.6 | -175.8 | 0 | 111.9 | N155 K159 G162 F208 W225 | N155-K157 PolarHBondContact ND2-NZ 3.06Å; N155-K157 PolarHBondContact O-N 2.95Å; K157-K159 PolarHBondContact O-N 3.01Å; K157-G162 WeakPolarHBondContact O-CA 3.47Å; K157-F208 HydrophobicContact CG-CE1 4.21Å; K157-W225 HydrophobicContact CB-CB 4.5Å; K157-W225 PolarHBondContact N-O 2.87Å |
| 158 | P | 94.7 | Very high | 91.4 | Very high | 72 Ų | 72 | 48.7 Ų | 48.7 | 47% | 0.468 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 60.9 | 172.6 | 33.2 | -35.1 | 0 | 0 | 0 | 111 | Q163 T168 | P158-Q163 HydrophobicContact CB-CB 4.31Å; P158-T168 VanDerWaalsContact CA-OG1 3.27Å; P158-T168 WeakPolarHBondContact CA-OG1 3.28Å; P158-T168 HydrophobicContact CB-CG2 4.17Å; P158-T168 WeakPolarHBondContact CB-OG1 3.32Å; P158-T168 HydrophobicContact CG-CG2 4.24Å |
| 159 | K | 93.4 | Very high | 92.2 | Very high | 114 Ų | 114 | 49.3 Ų | 49.3 | 50% | 0.496 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.5 | 174.8 | -69.8 | -171.1 | 173.9 | -171.9 | 0 | 109.4 | K157 L161 G162 W225 | K157-K159 PolarHBondContact O-N 3.01Å; K159-L161 PolarHBondContact O-N 3.26Å; K159-G162 WeakPolarHBondContact O-CA 3.39Å; K159-G162 PolarHBondContact O-N 2.84Å; K159-W225 HydrophobicContact CB-CB 4.12Å; K159-W225 HydrophobicContact CB-CG 4.01Å; K159-W225 HydrophobicContact CD-CB 4.42Å; K159-W225 HydrophobicContact CD-CD2 4.46Å; K159-W225 HydrophobicContact CD-CG 4.09Å |
| 160 | G | 92.9 | Very high | 92.7 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.5 | -128.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G162 Q163 T164 | G160-G162 PolarHBondContact O-N 2.8Å; G160-Q163 PolarHBondContact O-N 3.13Å; G160-Q163 VanDerWaalsContact O-N 3.11Å; G160-T164 PolarHBondContact O-N 2.96Å; G160-T164 VanDerWaalsContact O-N 3.1Å; G160-T164 PolarHBondContact O-OG1 3.5Å |
| 161 | L | 93.8 | Very high | 92.9 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -25.3 | 177.6 | -66.6 | 175.7 | 0 | 0 | 0 | 113 | K159 Q163 K165 V213 I219 E223 I224 | K159-L161 PolarHBondContact O-N 3.26Å; L161-Q163 PolarHBondContact O-N 2.88Å; L161-K165 HydrophobicContact CD2-CG 4.24Å; L161-K165 WeakPolarHBondContact O-CB 3.36Å; L161-K165 PolarHBondContact O-N 3.29Å; L161-V213 HydrophobicContact CD1-CG2 3.53Å; L161-I219 HydrophobicContact CB-CD1 4.41Å; L161-I219 HydrophobicContact CD1-CD1 4.47Å; L161-I219 HydrophobicContact CD1-CG1 4.44Å; L161-I219 HydrophobicContact CD1-CG2 3.94Å; L161-I219 HydrophobicContact CD2-CG1 4.44Å; L161-E223 WeakPolarHBondContact CB-O 3.33Å; L161-E223 PolarHBondContact N-O 3.04Å; L161-I224 HydrophobicContact CB-CG1 3.81Å; L161-I224 HydrophobicContact CD1-CG1 4.05Å |
| 162 | G | 91.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -32.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K157 K159 G160 L167 T168 | K157-G162 WeakPolarHBondContact O-CA 3.47Å; K159-G162 WeakPolarHBondContact O-CA 3.39Å; K159-G162 PolarHBondContact O-N 2.84Å; G160-G162 PolarHBondContact O-N 2.8Å; G162-L167 PolarHBondContact O-N 3.19Å; G162-T168 PolarHBondContact O-N 3.43Å; G162-T168 PolarHBondContact O-OG1 2.92Å |
| 163 | Q | 92.9 | Very high | 93 | Very high | 107 Ų | 107 | 44.9 Ų | 44.9 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -88.6 | -54.7 | 171.9 | -177.3 | 62.8 | 9.9 | 0 | 0 | 111.2 | P158 G160 L161 K165 N166 | P158-Q163 HydrophobicContact CB-CB 4.31Å; G160-Q163 PolarHBondContact O-N 3.13Å; G160-Q163 VanDerWaalsContact O-N 3.11Å; L161-Q163 PolarHBondContact O-N 2.88Å; Q163-K165 PolarHBondContact O-N 2.92Å; Q163-N166 PolarHBondContact O-N 2.97Å |
| 164 | T | 92.4 | Very high | 92.9 | Very high | 103 Ų | 103 | 43.4 Ų | 43.4 | 63% | 0.632 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -58.3 | -22.5 | -173.8 | -51.9 | 0 | 0 | 0 | 0 | 113.9 | G160 | G160-T164 PolarHBondContact O-N 2.96Å; G160-T164 VanDerWaalsContact O-N 3.1Å; G160-T164 PolarHBondContact O-OG1 3.5Å |
| 165 | K | 90.3 | Very high | 92.9 | Very high | 100 Ų | 100 | 43.3 Ų | 43.3 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 12.9 | -178.9 | -57.5 | -81.7 | 178.9 | 156.8 | 0 | 112.9 | L161 Q163 L167 I219 | L161-K165 HydrophobicContact CD2-CG 4.24Å; L161-K165 WeakPolarHBondContact O-CB 3.36Å; L161-K165 PolarHBondContact O-N 3.29Å; Q163-K165 PolarHBondContact O-N 2.92Å; K165-L167 VanDerWaalsContact C-N 3.25Å; K165-L167 HydrophobicContact CB-CD1 4.24Å; K165-L167 HydrophobicContact CB-CG 4.03Å; K165-L167 PolarHBondContact O-N 2.92Å; K165-I219 HydrophobicContact CB-CD1 3.95Å; K165-I219 HydrophobicContact CB-CG1 4.25Å; K165-I219 HydrophobicContact CD-CD1 4.47Å; K165-I219 HydrophobicContact CD-CG1 3.84Å; K165-I219 WeakPolarHBondContact CE-O 3.31Å; K165-I219 HydrophobicContact CG-CD1 3.8Å; K165-I219 HydrophobicContact CG-CG1 3.59Å; K165-I219 PolarHBondContact NZ-O 2.91Å |
| 166 | N | 90.9 | Very high | 92.6 | Very high | 131 Ų | 131 | 42.1 Ų | 42.1 | 70% | 0.701 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37 | 177.7 | -58 | -73.8 | 0 | 0 | 0 | 114.1 | Q163 T168 | Q163-N166 PolarHBondContact O-N 2.97Å; N166-T168 VanDerWaalsContact C-N 3.27Å; N166-T168 PolarHBondContact O-N 3.48Å |
| 167 | L | 90.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | trans | -90.8 | 23.4 | -179.1 | -56.7 | 177.3 | 0 | 0 | 0 | 112.8 | V156 G162 K165 Y171 L182 C191 V192 I219 | V156-L167 WeakPolarHBondContact CB-O 3.25Å; V156-L167 HydrophobicContact CG1-CB 4.33Å; V156-L167 WeakPolarHBondContact CG1-O 3.28Å; G162-L167 PolarHBondContact O-N 3.19Å; K165-L167 VanDerWaalsContact C-N 3.25Å; K165-L167 HydrophobicContact CB-CD1 4.24Å; K165-L167 HydrophobicContact CB-CG 4.03Å; K165-L167 PolarHBondContact O-N 2.92Å; L167-Y171 WeakPolarHBondContact CA-OH 3.37Å; L167-Y171 WeakPolarHBondContact O-CE2 3.37Å; L167-L182 HydrophobicContact CD1-CD2 4.24Å; L167-C191 HydrophobicContact CD2-CB 4.41Å; L167-V192 HydrophobicContact CD1-CG2 3.55Å; L167-V192 HydrophobicContact CD2-CG2 3.82Å; L167-V192 HydrophobicContact CG-CG2 4.35Å; L167-I219 HydrophobicContact CD1-CD1 3.47Å; L167-I219 VanDerWaalsContact CD1-CD1 3.47Å | ||
| 168 | T | 92.6 | Very high | 91.9 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 37% | 0.368 | 27% | 0.273 | S | S | . | . | trans | -84.7 | 134.6 | -173.2 | -67.6 | 0 | 0 | 0 | 0 | 111.6 | V156 P158 G162 N166 | V156-T168 WeakPolarHBondContact O-CA 3.3Å; P158-T168 VanDerWaalsContact CA-OG1 3.27Å; P158-T168 WeakPolarHBondContact CA-OG1 3.28Å; P158-T168 HydrophobicContact CB-CG2 4.17Å; P158-T168 WeakPolarHBondContact CB-OG1 3.32Å; P158-T168 HydrophobicContact CG-CG2 4.24Å; G162-T168 PolarHBondContact O-N 3.43Å; G162-T168 PolarHBondContact O-OG1 2.92Å; N166-T168 VanDerWaalsContact C-N 3.27Å; N166-T168 PolarHBondContact O-N 3.48Å | ||
| 169 | G | 92.6 | Very high | 91.7 | Very high | 23 Ų | 23 | 46.5 Ų | 46.5 | 24% | 0.237 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 129.2 | -161 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N155 V156 Y171 | N155-G169 CarbonylContact C-O 3.55Å; N155-G169 WeakPolarHBondContact CA-O 3.38Å; N155-G169 PolarHBondContact OD1-O 3.34Å; V156-G169 PolarHBondContact N-O 3.1Å; V156-G169 PolarHBondContact O-N 3.36Å; G169-Y171 VanDerWaalsContact O-CD2 3.3Å; G169-Y171 WeakPolarHBondContact O-CD2 3.15Å |
| 170 | V | 92.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.2 | -178.8 | -172.6 | 0 | 0 | 0 | 0 | 111.5 | Q153 V154 L185 S572 | Q153-V170 HydrophobicContact CG-CG1 3.64Å; V154-V170 WeakPolarHBondContact O-CA 3.47Å; V170-L185 HydrophobicContact CG1-CD1 4.25Å; V170-L185 PolarHBondContact O-N 2.88Å; V170-S572 WeakPolarHBondContact CB-OG 3.25Å |
| 171 | Y | 92.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 163 | 178.5 | -66.4 | -102.9 | 0 | 0 | 0 | 109.5 | V154 V156 L167 G169 L182 V183 K184 C191 | V154-Y171 PolarHBondContact N-O 2.96Å; V154-Y171 PolarHBondContact O-N 3.36Å; V154-Y171 VanDerWaalsContact O-O 3.13Å; V156-Y171 HydrophobicContact CB-CD2 4Å; V156-Y171 HydrophobicContact CB-CE2 4.32Å; V156-Y171 HydrophobicContact CG2-CD2 3.65Å; V156-Y171 HydrophobicContact CG2-CE2 4.38Å; V156-Y171 HydrophobicContact CG2-CG 4.12Å; L167-Y171 WeakPolarHBondContact CA-OH 3.37Å; L167-Y171 WeakPolarHBondContact O-CE2 3.37Å; G169-Y171 VanDerWaalsContact O-CD2 3.3Å; G169-Y171 WeakPolarHBondContact O-CD2 3.15Å; Y171-L182 HydrophobicContact CD1-CD1 4.38Å; Y171-L182 HydrophobicContact CD1-CD2 4.04Å; Y171-L182 HydrophobicContact CD1-CG 3.72Å; Y171-L182 HydrophobicContact CE1-CD2 4.48Å; Y171-L182 HydrophobicContact CG-CD1 4.16Å; Y171-L182 HydrophobicContact CG-CD2 4.29Å; Y171-L182 HydrophobicContact CG-CG 3.99Å; Y171-V183 CarbonylContact C-O 3.56Å; Y171-V183 VanDerWaalsContact CA-O 3.28Å; Y171-V183 WeakPolarHBondContact CA-O 3.32Å; Y171-V183 WeakPolarHBondContact CB-O 3.26Å; Y171-K184 HydrophobicContact CD1-CB 3.73Å; Y171-K184 HydrophobicContact CD1-CG 4.03Å; Y171-K184 HydrophobicContact CE1-CB 3.47Å; Y171-K184 VanDerWaalsContact CE1-CB 3.47Å; Y171-K184 HydrophobicContact CE1-CD 4.17Å; Y171-K184 HydrophobicContact CE1-CG 3.5Å; Y171-K184 VanDerWaalsContact CE1-CG 3.5Å; Y171-K184 HydrophobicContact CE2-CG 4.41Å; Y171-C191 HydrophobicContact CE1-CB 4.36Å; Y171-C191 WeakPolarHBondContact CE1-SG 3.35Å |
| 172 | R | 91.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120.9 | 162.1 | -56.2 | -171.7 | -176.2 | 94.2 | -3.1 | 107 | T96 K97 D98 E99 V151 W152 V183 L185 | T96-R172 PolarHBondContact O-NH2 3.31Å; K97-R172 VanDerWaalsContact C-NH2 3.35Å; K97-R172 VanDerWaalsContact O-CZ 3.26Å; K97-R172 PolarHBondContact O-NH1 3.4Å; K97-R172 PolarHBondContact O-NH2 3.11Å; D98-R172 VanDerWaalsContact C-NH2 3.32Å; D98-R172 PolarHBondContact O-NH2 2.96Å; E99-R172 PolarHBondContact O-NH2 2.69Å; V151-R172 HydrophobicContact CG1-CB 4.09Å; W152-R172 CarbonylContact O-C 3.6Å; W152-R172 VanDerWaalsContact O-CA 3.28Å; W152-R172 WeakPolarHBondContact O-CA 3.49Å; R172-V183 PolarHBondContact N-O 3.3Å; R172-V183 PolarHBondContact O-N 3.1Å; R172-L185 HydrophobicContact CG-CD1 3.92Å |
| 173 | L | 92.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.2 | 170.4 | -172.3 | 150 | 0 | 0 | 0 | 107.1 | V151 W152 V154 I180 L182 F209 I211 M226 M237 I241 | V151-L173 WeakPolarHBondContact CA-O 3.46Å; W152-L173 HydrophobicContact CE3-CD2 3.68Å; W152-L173 HydrophobicContact CZ3-CD2 3.72Å; W152-L173 PolarHBondContact N-O 3.02Å; W152-L173 PolarHBondContact O-N 2.83Å; V154-L173 HydrophobicContact CG1-CB 4.25Å; V154-L173 HydrophobicContact CG2-CB 4.21Å; L173-I180 HydrophobicContact CD1-CG2 3.98Å; L173-I180 HydrophobicContact CD2-CG2 3.68Å; L173-I180 HydrophobicContact CG-CG2 3.59Å; L173-L182 HydrophobicContact CB-CD1 4.37Å; L173-F209 HydrophobicContact CD1-CE1 4.45Å; L173-I211 HydrophobicContact CD1-CD1 4.06Å; L173-M226 HydrophobicContact CD1-CE 3.89Å; L173-M226 HydrophobicContact CD1-SD 3.55Å; L173-M226 VanDerWaalsContact CD1-SD 3.55Å; L173-M237 HydrophobicContact CB-CE 4.26Å; L173-M237 HydrophobicContact CD1-CE 3.92Å; L173-M237 HydrophobicContact CD2-CE 4Å; L173-M237 HydrophobicContact CG-CE 4.27Å; L173-I241 HydrophobicContact CD2-CD1 4.01Å |
| 174 | C | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 113.1 | -173.7 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | F148 V151 I180 H181 | F148-C174 HydrophobicContact CD1-CB 3.62Å; F148-C174 HydrophobicContact CD2-CB 3.86Å; F148-C174 HydrophobicContact CE1-CB 3.61Å; F148-C174 HydrophobicContact CE2-CB 3.85Å; F148-C174 HydrophobicContact CG-CB 3.74Å; F148-C174 HydrophobicContact CZ-CB 3.71Å; V151-C174 HydrophobicContact CG2-CB 3.99Å; C174-I180 CarbonylContact O-C 3.58Å; C174-I180 WeakPolarHBondContact O-CA 3.35Å; C174-H181 HydrophobicContact CB-CB 4.35Å; C174-H181 PolarHBondContact N-O 3.02Å; C174-H181 PolarHBondContact O-N 3.09Å |
| 175 | L | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124 | -177.5 | 175.1 | 66.7 | 0 | 0 | 0 | 110.7 | F148 K149 E150 W152 I180 L196 T240 I241 T244 | F148-L175 CarbonylContact C-O 3.58Å; K149-L175 PolarHBondContact N-O 3.35Å; E150-L175 PolarHBondContact N-O 3.2Å; E150-L175 PolarHBondContact O-N 2.89Å; W152-L175 HydrophobicContact CH2-CB 4.33Å; W152-L175 HydrophobicContact CH2-CD2 3.92Å; W152-L175 HydrophobicContact CZ3-CB 3.84Å; W152-L175 HydrophobicContact CZ3-CD2 4.25Å; L175-I180 HydrophobicContact CD1-CD1 4.12Å; L175-I180 HydrophobicContact CD1-CG1 3.57Å; L175-L196 HydrophobicContact CD1-CD1 4.19Å; L175-L196 HydrophobicContact CD1-CD2 3.94Å; L175-T240 HydrophobicContact CD2-CG2 3.49Å; L175-T240 VanDerWaalsContact CD2-CG2 3.49Å; L175-I241 HydrophobicContact CD2-CG1 4.07Å; L175-T244 HydrophobicContact CD2-CG2 4.03Å |
| 176 | S | 90.4 | Very high | 90.7 | Very high | 33 Ų | 33 | 30 Ų | 30 | 23% | 0.231 | 17% | 0.168 | C | C | . | . | trans | -102.6 | 179.5 | 167.4 | -175 | 0 | 0 | 0 | 0 | 110 | K178 T179 | S176-K178 VanDerWaalsContact C-N 3.29Å; S176-K178 PolarHBondContact O-N 3.23Å; S176-T179 WeakPolarHBondContact CA-O 3.49Å; S176-T179 WeakPolarHBondContact CB-O 3.44Å; S176-T179 WeakPolarHBondContact CB-OG1 3.33Å; S176-T179 PolarHBondContact N-O 3.42Å | ||
| 177 | T | 87.5 | Confident | 90.2 | Very high | 98 Ų | 98 | 24.1 Ų | 24.1 | 60% | 0.601 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -67.5 | -27.2 | 176.4 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 178 | K | 88.8 | Confident | 89.2 | Confident | 91 Ų | 91 | 28.6 Ų | 28.6 | 40% | 0.396 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -118.6 | -21 | -176.1 | -62.8 | 172.6 | -173.1 | 168.2 | 0 | 114.2 | D137 S176 L196 L248 | D137-K178 IonicContact OD1-NZ 3.09Å; D137-K178 PolarHBondContact OD1-NZ 2.98Å; D137-K178 IonicContact OD2-NZ 3.17Å; D137-K178 PolarHBondContact OD2-NZ 3.03Å; S176-K178 VanDerWaalsContact C-N 3.29Å; S176-K178 PolarHBondContact O-N 3.23Å; K178-L196 PolarHBondContact O-N 2.69Å; K178-L248 HydrophobicContact CB-CD1 4.31Å; K178-L248 HydrophobicContact CG-CD1 4.28Å |
| 179 | T | 91.4 | Very high | 88.3 | Confident | 22 Ų | 22 | 28.8 Ų | 28.8 | 14% | 0.135 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 157 | -167.7 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | S176 H181 N193 L194 Q195 | S176-T179 WeakPolarHBondContact CA-O 3.49Å; S176-T179 WeakPolarHBondContact CB-O 3.44Å; S176-T179 WeakPolarHBondContact CB-OG1 3.33Å; S176-T179 PolarHBondContact N-O 3.42Å; T179-H181 WeakPolarHBondContact CB-NE2 3.5Å; T179-H181 PolarHBondContact OG1-CD2 2.98Å; T179-H181 PolarHBondContact OG1-NE2 3.21Å; T179-N193 WeakPolarHBondContact CB-OD1 3.48Å; T179-N193 WeakPolarHBondContact CG2-OD1 3.39Å; T179-L194 CarbonylContact C-O 3.45Å; T179-L194 WeakPolarHBondContact CA-O 3.32Å; T179-Q195 HydrophobicContact CG2-CG 4.35Å |
| 180 | I | 93.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122 | 162.9 | -68.6 | 174.8 | 0 | 0 | 0 | 107.8 | L173 C174 L175 L194 L196 I199 I211 I241 | L173-I180 HydrophobicContact CD1-CG2 3.98Å; L173-I180 HydrophobicContact CD2-CG2 3.68Å; L173-I180 HydrophobicContact CG-CG2 3.59Å; C174-I180 CarbonylContact O-C 3.58Å; C174-I180 WeakPolarHBondContact O-CA 3.35Å; L175-I180 HydrophobicContact CD1-CD1 4.12Å; L175-I180 HydrophobicContact CD1-CG1 3.57Å; I180-L194 HydrophobicContact CB-CB 4.4Å; I180-L194 PolarHBondContact N-O 2.84Å; I180-L194 PolarHBondContact O-N 3.36Å; I180-L196 HydrophobicContact CD1-CD2 3.74Å; I180-L196 HydrophobicContact CG1-CD2 3.74Å; I180-I199 HydrophobicContact CD1-CD1 3.89Å; I180-I211 HydrophobicContact CD1-CD1 4.08Å; I180-I241 HydrophobicContact CD1-CD1 3.98Å; I180-I241 HydrophobicContact CD1-CG1 4.11Å; I180-I241 HydrophobicContact CD1-CG2 3.85Å |
| 181 | H | 91.8 | Very high | 87 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.046 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.9 | 174 | -61.9 | -107.4 | 0 | 0 | 0 | 108.7 | V142 F148 C174 T179 V183 P190 V192 N193 | V142-H181 HydrophobicContact CG2-CB 4.36Å; V142-H181 VanDerWaalsContact CG2-ND1 3.33Å; V142-H181 WeakPolarHBondContact CG2-ND1 3.48Å; F148-H181 HydrophobicContact CE1-CB 4.31Å; F148-H181 AromaticContact CE1-CD2 3.86Å; F148-H181 HydrophobicContact CZ-CB 4.48Å; C174-H181 HydrophobicContact CB-CB 4.35Å; C174-H181 PolarHBondContact N-O 3.02Å; C174-H181 PolarHBondContact O-N 3.09Å; T179-H181 WeakPolarHBondContact CB-NE2 3.5Å; T179-H181 PolarHBondContact OG1-CD2 2.98Å; T179-H181 PolarHBondContact OG1-NE2 3.21Å; H181-V183 HydrophobicContact CB-CG2 4.43Å; H181-P190 HydrophobicContact CB-CB 4.29Å; H181-V192 WeakPolarHBondContact CA-O 3.33Å; H181-N193 PolarHBondContact CE1-ND2 2.85Å |
| 182 | L | 91.9 | Very high | 86.7 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 110.1 | 171.3 | -166.8 | 69.6 | 0 | 0 | 0 | 107.5 | V154 V156 L167 Y171 L173 P190 C191 V192 | V154-L182 HydrophobicContact CG2-CD1 4.43Å; V156-L182 HydrophobicContact CG2-CD1 4.27Å; V156-L182 HydrophobicContact CG2-CD2 4.33Å; L167-L182 HydrophobicContact CD1-CD2 4.24Å; Y171-L182 HydrophobicContact CD1-CD1 4.38Å; Y171-L182 HydrophobicContact CD1-CD2 4.04Å; Y171-L182 HydrophobicContact CD1-CG 3.72Å; Y171-L182 HydrophobicContact CE1-CD2 4.48Å; Y171-L182 HydrophobicContact CG-CD1 4.16Å; Y171-L182 HydrophobicContact CG-CD2 4.29Å; Y171-L182 HydrophobicContact CG-CG 3.99Å; L173-L182 HydrophobicContact CB-CD1 4.37Å; L182-P190 CarbonylContact O-C 3.59Å; L182-C191 PolarHBondContact O-N 2.74Å; L182-C191 PolarHBondContact O-SG 2.83Å; L182-V192 HydrophobicContact CB-CB 4.14Å; L182-V192 HydrophobicContact CD2-CG2 4.33Å; L182-V192 PolarHBondContact N-O 3.07Å; L182-V192 PolarHBondContact O-N 2.88Å |
| 183 | V | 90.3 | Very high | 86.7 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.1 | -177.6 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | Y171 R172 H181 S187 P190 | Y171-V183 CarbonylContact C-O 3.56Å; Y171-V183 VanDerWaalsContact CA-O 3.28Å; Y171-V183 WeakPolarHBondContact CA-O 3.32Å; Y171-V183 WeakPolarHBondContact CB-O 3.26Å; R172-V183 PolarHBondContact N-O 3.3Å; R172-V183 PolarHBondContact O-N 3.1Å; H181-V183 HydrophobicContact CB-CG2 4.43Å; V183-S187 WeakPolarHBondContact CG1-O 3.49Å; V183-P190 HydrophobicContact CG2-CB 4.18Å |
| 184 | K | 90 | Very high | 86.7 | Confident | 62 Ų | 62 | 32.8 Ų | 32.8 | 27% | 0.27 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 144 | 177.9 | -160.3 | -179.3 | 174.5 | -157.2 | 0 | 108.9 | Y171 S187 S574 L575 | Y171-K184 HydrophobicContact CD1-CB 3.73Å; Y171-K184 HydrophobicContact CD1-CG 4.03Å; Y171-K184 HydrophobicContact CE1-CB 3.47Å; Y171-K184 VanDerWaalsContact CE1-CB 3.47Å; Y171-K184 HydrophobicContact CE1-CD 4.17Å; Y171-K184 HydrophobicContact CE1-CG 3.5Å; Y171-K184 VanDerWaalsContact CE1-CG 3.5Å; Y171-K184 HydrophobicContact CE2-CG 4.41Å; K184-S187 VanDerWaalsContact O-CB 3.26Å; K184-S187 WeakPolarHBondContact O-CB 3.49Å; K184-S187 PolarHBondContact O-N 3.34Å; K184-S574 WeakPolarHBondContact CD-OG 3.41Å; K184-S574 VanDerWaalsContact CE-CB 3.45Å; K184-S574 WeakPolarHBondContact CE-OG 3.35Å; K184-S574 VanDerWaalsContact CG-OG 3.26Å; K184-S574 WeakPolarHBondContact CG-OG 3.39Å; K184-S574 PolarHBondContact NZ-OG 3.09Å; K184-L575 PolarHBondContact NZ-O 3.2Å |
| 185 | L | 86.9 | Confident | 86.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 147 | 176.5 | -141.8 | 78.4 | 0 | 0 | 0 | 110.3 | V170 R172 S187 S572 S574 | V170-L185 HydrophobicContact CG1-CD1 4.25Å; V170-L185 PolarHBondContact O-N 2.88Å; R172-L185 HydrophobicContact CG-CD1 3.92Å; L185-S187 PolarHBondContact O-N 3.19Å; L185-S572 WeakPolarHBondContact CD2-O 3.24Å; L185-S574 WeakPolarHBondContact O-CB 3.33Å; L185-S574 PolarHBondContact O-OG 3.26Å |
| 186 | N | 81.4 | Confident | 86.7 | Confident | 31 Ų | 31 | 35 Ų | 35 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -6.8 | -173 | -57.2 | 34.7 | 0 | 0 | 0 | 116.5 | K97 D98 S573 | K97-N186 PolarHBondContact O-N 2.88Å; D98-N186 WeakPolarHBondContact CA-OD1 3.33Å; D98-N186 PolarHBondContact O-OD1 2.85Å; D98-N186 WeakPolarHBondContact OD1-CA 3.23Å; D98-N186 WeakPolarHBondContact OD1-CB 3.4Å; D98-N186 PolarHBondContact OD1-ND2 2.84Å; N186-S573 WeakPolarHBondContact ND2-CB 3.31Å; N186-S573 PolarHBondContact ND2-OG 3.11Å; N186-S573 WeakPolarHBondContact OD1-CB 3.37Å |
| 187 | S | 80.5 | Confident | 86.7 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | trans | -82.6 | 134.2 | 168.2 | -169.3 | 0 | 0 | 0 | 0 | 108.4 | V183 K184 L185 T189 | V183-S187 WeakPolarHBondContact CG1-O 3.49Å; K184-S187 VanDerWaalsContact O-CB 3.26Å; K184-S187 WeakPolarHBondContact O-CB 3.49Å; K184-S187 PolarHBondContact O-N 3.34Å; L185-S187 PolarHBondContact O-N 3.19Å; S187-T189 PolarHBondContact OG-N 2.99Å; S187-T189 PolarHBondContact OG-O 3.41Å; S187-T189 PolarHBondContact OG-OG1 2.83Å | ||
| 188 | E | 68.7 | Low | 87 | Confident | 104 Ų | 104 | 35.8 Ų | 35.8 | 49% | 0.486 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -89 | -30.1 | 171.6 | -165.7 | 155.4 | -163 | 0 | 0 | 110.5 | K97 | K97-E188 IonicContact NZ-OE2 2.72Å; K97-E188 PolarHBondContact NZ-OE2 2.97Å |
| 189 | T | 73.6 | Confident | 87.3 | Confident | 64 Ų | 64 | 32 Ų | 32 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -76.4 | 135.3 | 173 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | S187 | S187-T189 PolarHBondContact OG-N 2.99Å; S187-T189 PolarHBondContact OG-O 3.41Å; S187-T189 PolarHBondContact OG-OG1 2.83Å |
| 190 | P | 78.8 | Confident | 87.4 | Confident | 38 Ų | 38 | 39.4 Ų | 39.4 | 25% | 0.247 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 134.4 | 168.6 | 29.4 | -34.1 | 0 | 0 | 0 | 109.7 | V142 H181 L182 V183 | V142-P190 HydrophobicContact CG2-CB 4.38Å; V142-P190 HydrophobicContact CG2-CG 3.94Å; H181-P190 HydrophobicContact CB-CB 4.29Å; L182-P190 CarbonylContact O-C 3.59Å; V183-P190 HydrophobicContact CG2-CB 4.18Å |
| 191 | C | 80.7 | Confident | 87.4 | Confident | 55 Ų | 55 | 44.6 Ų | 44.6 | 37% | 0.372 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -22.8 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | L167 Y171 L182 | L167-C191 HydrophobicContact CD2-CB 4.41Å; Y171-C191 HydrophobicContact CE1-CB 4.36Å; Y171-C191 WeakPolarHBondContact CE1-SG 3.35Å; L182-C191 PolarHBondContact O-N 2.74Å; L182-C191 PolarHBondContact O-SG 2.83Å |
| 192 | V | 86.6 | Confident | 87.6 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 136.8 | 174 | -166.9 | 0 | 0 | 0 | 0 | 109.2 | L167 H181 L182 L194 I219 | L167-V192 HydrophobicContact CD1-CG2 3.55Å; L167-V192 HydrophobicContact CD2-CG2 3.82Å; L167-V192 HydrophobicContact CG-CG2 4.35Å; H181-V192 WeakPolarHBondContact CA-O 3.33Å; L182-V192 HydrophobicContact CB-CB 4.14Å; L182-V192 HydrophobicContact CD2-CG2 4.33Å; L182-V192 PolarHBondContact N-O 3.07Å; L182-V192 PolarHBondContact O-N 2.88Å; V192-L194 HydrophobicContact CG1-CD2 3.48Å; V192-L194 VanDerWaalsContact CG1-CD2 3.48Å; V192-L194 HydrophobicContact CG1-CG 3.77Å; V192-I219 HydrophobicContact CG1-CB 4.31Å; V192-I219 HydrophobicContact CG1-CD1 4.22Å; V192-I219 HydrophobicContact CG2-CD1 4.01Å |
| 193 | N | 90.6 | Very high | 87.8 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120 | 163.9 | -178.5 | -6 | 0 | 0 | 0 | 108.6 | T179 H181 S218 | T179-N193 WeakPolarHBondContact CB-OD1 3.48Å; T179-N193 WeakPolarHBondContact CG2-OD1 3.39Å; H181-N193 PolarHBondContact CE1-ND2 2.85Å; N193-S218 PolarHBondContact O-OG 3.43Å |
| 194 | L | 92.3 | Very high | 88.1 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 111.8 | -179.8 | -60 | 179.1 | 0 | 0 | 0 | 109.4 | T179 I180 V192 V213 S217 I219 I224 | T179-L194 CarbonylContact C-O 3.45Å; T179-L194 WeakPolarHBondContact CA-O 3.32Å; I180-L194 HydrophobicContact CB-CB 4.4Å; I180-L194 PolarHBondContact N-O 2.84Å; I180-L194 PolarHBondContact O-N 3.36Å; V192-L194 HydrophobicContact CG1-CD2 3.48Å; V192-L194 VanDerWaalsContact CG1-CD2 3.48Å; V192-L194 HydrophobicContact CG1-CG 3.77Å; L194-V213 HydrophobicContact CD1-CG1 4.09Å; L194-V213 HydrophobicContact CD2-CG1 4.05Å; L194-S217 WeakPolarHBondContact CD2-OG 3.37Å; L194-I219 HydrophobicContact CD2-CG2 3.89Å; L194-I224 HydrophobicContact CD1-CD1 3.94Å |
| 195 | Q | 92.5 | Very high | 88.3 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 136.6 | 171.3 | -56.5 | 175.3 | 13.5 | 0 | 0 | 110 | Y139 T179 M197 N198 | Y139-Q195 PolarHBondContact OH-NE2 2.93Å; T179-Q195 HydrophobicContact CG2-CG 4.35Å; Q195-M197 HydrophobicContact CB-CG 4.11Å; Q195-M197 PolarHBondContact O-N 2.72Å; Q195-N198 WeakPolarHBondContact O-CB 3.1Å; Q195-N198 PolarHBondContact O-N 2.69Å |
| 196 | L | 92.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -59.8 | -31.7 | -178.6 | -72.1 | 175.4 | 0 | 0 | 0 | 112.4 | L175 K178 I180 N198 I199 M245 L248 | L175-L196 HydrophobicContact CD1-CD1 4.19Å; L175-L196 HydrophobicContact CD1-CD2 3.94Å; K178-L196 PolarHBondContact O-N 2.69Å; I180-L196 HydrophobicContact CD1-CD2 3.74Å; I180-L196 HydrophobicContact CG1-CD2 3.74Å; L196-N198 PolarHBondContact O-N 2.6Å; L196-I199 HydrophobicContact CD2-CD1 3.88Å; L196-I199 PolarHBondContact O-N 2.84Å; L196-M245 HydrophobicContact CB-CG 4.26Å; L196-M245 HydrophobicContact CD2-CG 4.01Å; L196-L248 HydrophobicContact CB-CD1 4.23Å; L196-L248 HydrophobicContact CD1-CD1 4.36Å |
| 197 | M | 91 | Very high | 89.3 | Confident | 126 Ų | 126 | 54 Ų | 54 | 62% | 0.621 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -66.6 | -20.3 | 175.2 | 71.5 | -177.7 | 81.4 | 0 | 0 | 114 | Q195 L248 | Q195-M197 HydrophobicContact CB-CG 4.11Å; Q195-M197 PolarHBondContact O-N 2.72Å; M197-L248 HydrophobicContact CB-CD2 4.34Å |
| 198 | N | 93.4 | Very high | 90 | Very high | 21 Ų | 21 | 56 Ų | 56 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -89 | -2.5 | 178.9 | -67.5 | -23.7 | 0 | 0 | 0 | 112.9 | Q195 L196 V213 G214 S216 | Q195-N198 WeakPolarHBondContact O-CB 3.1Å; Q195-N198 PolarHBondContact O-N 2.69Å; L196-N198 PolarHBondContact O-N 2.6Å; N198-V213 WeakPolarHBondContact O-CA 3.49Å; N198-G214 PolarHBondContact O-N 2.83Å; N198-S216 PolarHBondContact ND2-O 3.34Å; N198-S216 VanDerWaalsContact ND2-O 3.1Å; N198-S216 VanDerWaalsContact OD1-CB 3.24Å; N198-S216 WeakPolarHBondContact OD1-CB 3.07Å |
| 199 | I | 94.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 122 | 175.7 | -59.7 | 173.6 | 0 | 0 | 0 | 109.1 | I180 L196 R201 I211 V213 M245 | I180-I199 HydrophobicContact CD1-CD1 3.89Å; L196-I199 HydrophobicContact CD2-CD1 3.88Å; L196-I199 PolarHBondContact O-N 2.84Å; I199-R201 WeakPolarHBondContact CG2-O 3.28Å; I199-I211 HydrophobicContact CB-CG2 4.33Å; I199-I211 HydrophobicContact CD1-CG2 3.92Å; I199-I211 HydrophobicContact CG1-CG2 3.81Å; I199-I211 HydrophobicContact CG2-CG2 3.67Å; I199-V213 HydrophobicContact CG1-CG1 4.32Å; I199-M245 HydrophobicContact CB-CE 3.65Å; I199-M245 HydrophobicContact CB-SD 3.93Å; I199-M245 HydrophobicContact CD1-SD 4.17Å; I199-M245 HydrophobicContact CG2-CE 3.69Å; I199-M245 HydrophobicContact CG2-SD 3.73Å; I199-M245 WeakPolarHBondContact O-CE 3.45Å |
| 200 | R | 93.6 | Very high | 92.4 | Very high | 178 Ų | 178 | 49.5 Ų | 49.5 | 67% | 0.672 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -43.5 | 178 | -67.9 | -179.6 | 71.5 | -153.6 | 13.4 | 111.6 | E212 | R200-E212 WeakPolarHBondContact CB-OE1 3.46Å; R200-E212 VanDerWaalsContact CD-OE1 3.25Å; R200-E212 WeakPolarHBondContact CD-OE1 3.25Å; R200-E212 IonicContact CZ-OE1 3.44Å; R200-E212 VanDerWaalsContact CZ-OE1 3.31Å; R200-E212 PolarHBondContact N-O 2.89Å; R200-E212 IonicContact NE-OE1 2.63Å; R200-E212 PolarHBondContact NE-OE1 2.87Å; R200-E212 IonicContact NH1-OE1 2.73Å; R200-E212 PolarHBondContact NH1-OE1 2.85Å; R200-E212 IonicContact NH1-OE2 2.62Å |
| 201 | R | 93.7 | Very high | 93.3 | Very high | 109 Ų | 109 | 47.8 Ų | 47.8 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 151.9 | 169.8 | 61.8 | 175.2 | -175.2 | -68.9 | -13.9 | 109.9 | I199 F210 E212 E223 | I199-R201 WeakPolarHBondContact CG2-O 3.28Å; R201-F210 HydrophobicContact CG-CE2 4.27Å; R201-E212 HydrophobicContact CG-CB 3.93Å; R201-E212 IonicContact CZ-OE2 3.58Å; R201-E212 PolarHBondContact N-O 3.11Å; R201-E212 IonicContact NH1-OE1 2.64Å; R201-E212 PolarHBondContact NH1-OE1 3.38Å; R201-E212 VanDerWaalsContact NH1-OE1 3.14Å; R201-E212 IonicContact NH1-OE2 3.65Å; R201-E212 PolarHBondContact NH1-OE2 2.83Å; R201-E212 IonicContact NH2-OE2 2.67Å; R201-E212 PolarHBondContact NH2-OE2 2.84Å; R201-E212 PolarHBondContact O-N 3.21Å; R201-E223 IonicContact NH2-OE2 2.94Å |
| 202 | C | 95.9 | Very high | 94 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 161.9 | 156.9 | 64.3 | 0 | 0 | 0 | 0 | 108.7 | F209 F210 I211 H238 I241 | C202-F209 HydrophobicContact CB-CE2 3.89Å; C202-F209 HydrophobicContact CB-CZ 3.79Å; C202-F210 CarbonylContact C-O 3.58Å; C202-F210 WeakPolarHBondContact CA-O 3.23Å; C202-F210 WeakPolarHBondContact CB-O 3.04Å; C202-I211 HydrophobicContact CB-CG1 4.3Å; C202-H238 PolarHBondContact O-CE1 3.05Å; C202-H238 PolarHBondContact O-ND1 3.46Å; C202-H238 PolarHBondContact SG-ND1 3.49Å; C202-I241 HydrophobicContact CB-CG2 4.48Å |
| 203 | G | 95.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 168.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F209 F210 H238 | G203-F209 WeakPolarHBondContact O-CD2 3.33Å; G203-F210 VanDerWaalsContact C-CE1 3.47Å; G203-F210 PolarHBondContact N-O 2.8Å; G203-F210 VanDerWaalsContact O-CD1 3.26Å; G203-F210 WeakPolarHBondContact O-CD1 3.34Å; G203-F210 PolarHBondContact O-N 3.34Å; G203-H238 WeakPolarHBondContact CA-ND1 3.48Å |
| 204 | H | 96.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 44.4 Ų | 44.4 | 32% | 0.324 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 158.9 | 173.7 | 69.5 | -80.9 | 0 | 0 | 0 | 110.8 | F208 F209 A234 H238 | H204-F208 CarbonylContact C-O 3.42Å; H204-F208 VanDerWaalsContact CA-O 3.25Å; H204-F208 WeakPolarHBondContact CA-O 3.46Å; H204-F208 WeakPolarHBondContact CB-O 3.24Å; H204-F209 HydrophobicContact CB-CD2 4.47Å; H204-A234 HydrophobicContact CB-CB 3.83Å; H204-A234 WeakPolarHBondContact CB-O 3.26Å; H204-H238 HydrophobicContact CB-CB 4.36Å; H204-H238 AromaticContact ND1-CD2 3.62Å; H204-H238 AromaticContact ND1-CG 3.84Å |
| 205 | S | 95.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 55 Ų | 55 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 113 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 106.8 | S207 F208 | S205-S207 PolarHBondContact O-N 3.09Å; S205-F208 PolarHBondContact N-O 2.85Å; S205-F208 WeakPolarHBondContact O-CA 3.49Å; S205-F208 WeakPolarHBondContact O-CB 3.45Å; S205-F208 PolarHBondContact O-N 2.91Å |
| 206 | E | 93.3 | Very high | 94.8 | Very high | 143 Ų | 143 | 57.4 Ų | 57.4 | 67% | 0.668 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | -128.2 | -171.4 | -53.4 | 176 | 176.8 | 0 | 0 | 112 | F208 S231 | E206-F208 VanDerWaalsContact C-N 3.26Å; E206-F208 PolarHBondContact O-N 3.42Å; E206-S231 VanDerWaalsContact O-CA 3.23Å; E206-S231 WeakPolarHBondContact O-CA 3.25Å; E206-S231 VanDerWaalsContact O-CB 3.24Å; E206-S231 WeakPolarHBondContact O-CB 3.28Å |
| 207 | S | 94.3 | Very high | 94.8 | Very high | 26 Ų | 26 | 57.7 Ų | 57.7 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 9.2 | 174.4 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | S205 Q227 V228 | S205-S207 PolarHBondContact O-N 3.09Å; S207-Q227 WeakPolarHBondContact O-CA 3.42Å; S207-Q227 PolarHBondContact OG-NE2 2.99Å; S207-V228 WeakPolarHBondContact O-CG2 3.42Å; S207-V228 PolarHBondContact O-N 3.21Å |
| 208 | F | 96.3 | Very high | 94.6 | Very high | 50 Ų | 50 | 56 Ų | 56 | 22% | 0.219 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140.4 | 177.7 | -58.5 | -86.4 | 0 | 0 | 0 | 111.9 | K157 H204 S205 E206 W225 M226 Q227 | K157-F208 HydrophobicContact CG-CE1 4.21Å; H204-F208 CarbonylContact C-O 3.42Å; H204-F208 VanDerWaalsContact CA-O 3.25Å; H204-F208 WeakPolarHBondContact CA-O 3.46Å; H204-F208 WeakPolarHBondContact CB-O 3.24Å; S205-F208 PolarHBondContact N-O 2.85Å; S205-F208 WeakPolarHBondContact O-CA 3.49Å; S205-F208 WeakPolarHBondContact O-CB 3.45Å; S205-F208 PolarHBondContact O-N 2.91Å; E206-F208 VanDerWaalsContact C-N 3.26Å; E206-F208 PolarHBondContact O-N 3.42Å; F208-W225 HydrophobicContact CB-CE3 4.15Å; F208-W225 HydrophobicContact CB-CZ3 4.33Å; F208-M226 CarbonylContact C-O 3.52Å; F208-M226 WeakPolarHBondContact CA-O 3.21Å; F208-Q227 HydrophobicContact CD1-CB 3.85Å; F208-Q227 HydrophobicContact CD1-CG 4.24Å; F208-Q227 HydrophobicContact CE1-CB 3.78Å; F208-Q227 HydrophobicContact CE1-CG 4Å; F208-Q227 HydrophobicContact CZ-CG 4.45Å |
| 209 | F | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 143.5 | 167.5 | 176.1 | -114.8 | 0 | 0 | 0 | 108.8 | L173 C202 G203 H204 I211 M226 M237 H238 I241 | L173-F209 HydrophobicContact CD1-CE1 4.45Å; C202-F209 HydrophobicContact CB-CE2 3.89Å; C202-F209 HydrophobicContact CB-CZ 3.79Å; G203-F209 WeakPolarHBondContact O-CD2 3.33Å; H204-F209 HydrophobicContact CB-CD2 4.47Å; F209-I211 HydrophobicContact CD1-CG1 4.49Å; F209-I211 HydrophobicContact CE1-CD1 3.87Å; F209-I211 HydrophobicContact CE1-CG1 3.62Å; F209-I211 HydrophobicContact CZ-CD1 4.32Å; F209-I211 HydrophobicContact CZ-CG1 3.84Å; F209-M226 HydrophobicContact CB-CG 4.18Å; F209-M226 HydrophobicContact CD1-CE 3.84Å; F209-M226 HydrophobicContact CD1-CG 4.12Å; F209-M226 HydrophobicContact CD1-SD 3.78Å; F209-M226 HydrophobicContact CE1-CE 4.2Å; F209-M226 HydrophobicContact CE1-SD 4.44Å; F209-M226 PolarHBondContact N-O 3.27Å; F209-M226 PolarHBondContact O-N 3.32Å; F209-M226 VanDerWaalsContact O-O 3.11Å; F209-M237 HydrophobicContact CD1-CB 4.24Å; F209-M237 HydrophobicContact CD1-CE 3.64Å; F209-M237 HydrophobicContact CD1-SD 4.18Å; F209-M237 HydrophobicContact CD2-CB 4.19Å; F209-M237 HydrophobicContact CE1-CB 4.46Å; F209-M237 HydrophobicContact CE1-CE 3.9Å; F209-M237 HydrophobicContact CE2-CB 4.45Å; F209-M237 HydrophobicContact CG-CB 4.12Å; F209-M237 HydrophobicContact CG-CE 4.47Å; F209-M237 HydrophobicContact CG-SD 4.49Å; F209-H238 HydrophobicContact CD2-CB 4.14Å; F209-H238 HydrophobicContact CE2-CB 3.89Å; F209-I241 HydrophobicContact CE1-CD1 3.57Å; F209-I241 HydrophobicContact CZ-CB 4.47Å; F209-I241 HydrophobicContact CZ-CD1 3.51Å |
| 210 | F | 96.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 56 Ų | 56 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148 | 179 | 70.7 | -94.6 | 0 | 0 | 0 | 112.5 | R201 C202 G203 I224 W225 | R201-F210 HydrophobicContact CG-CE2 4.27Å; C202-F210 CarbonylContact C-O 3.58Å; C202-F210 WeakPolarHBondContact CA-O 3.23Å; C202-F210 WeakPolarHBondContact CB-O 3.04Å; G203-F210 VanDerWaalsContact C-CE1 3.47Å; G203-F210 PolarHBondContact N-O 2.8Å; G203-F210 VanDerWaalsContact O-CD1 3.26Å; G203-F210 WeakPolarHBondContact O-CD1 3.34Å; G203-F210 PolarHBondContact O-N 3.34Å; F210-I224 VanDerWaalsContact CA-O 3.32Å; F210-I224 WeakPolarHBondContact CA-O 3.33Å; F210-W225 HydrophobicContact CB-CD2 3.9Å; F210-W225 HydrophobicContact CB-CE3 3.87Å; F210-W225 HydrophobicContact CB-CG 4.41Å; F210-W225 HydrophobicContact CB-CH2 4.42Å; F210-W225 HydrophobicContact CB-CZ2 4.45Å; F210-W225 HydrophobicContact CB-CZ3 4.15Å; F210-W225 HydrophobicContact CD1-CE3 4.4Å; F210-W225 AromaticContact CD1-CH2 3.84Å; F210-W225 HydrophobicContact CD1-CH2 3.84Å; F210-W225 HydrophobicContact CD1-CZ2 4.45Å; F210-W225 AromaticContact CD1-CZ3 3.81Å; F210-W225 HydrophobicContact CD1-CZ3 3.81Å; F210-W225 HydrophobicContact CE1-CH2 4.42Å; F210-W225 HydrophobicContact CG-CH2 4.26Å; F210-W225 HydrophobicContact CG-CZ2 4.44Å; F210-W225 HydrophobicContact CG-CZ3 4.29Å |
| 211 | I | 96.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 118.2 | 172.7 | -55.1 | -179.5 | 0 | 0 | 0 | 107.7 | L173 I180 I199 C202 F209 V213 E223 I224 M226 | L173-I211 HydrophobicContact CD1-CD1 4.06Å; I180-I211 HydrophobicContact CD1-CD1 4.08Å; I199-I211 HydrophobicContact CB-CG2 4.33Å; I199-I211 HydrophobicContact CD1-CG2 3.92Å; I199-I211 HydrophobicContact CG1-CG2 3.81Å; I199-I211 HydrophobicContact CG2-CG2 3.67Å; C202-I211 HydrophobicContact CB-CG1 4.3Å; F209-I211 HydrophobicContact CD1-CG1 4.49Å; F209-I211 HydrophobicContact CE1-CD1 3.87Å; F209-I211 HydrophobicContact CE1-CG1 3.62Å; F209-I211 HydrophobicContact CZ-CD1 4.32Å; F209-I211 HydrophobicContact CZ-CG1 3.84Å; I211-V213 HydrophobicContact CG2-CG1 3.88Å; I211-E223 CarbonylContact O-C 3.51Å; I211-E223 WeakPolarHBondContact O-CA 3.49Å; I211-I224 PolarHBondContact N-O 3.1Å; I211-I224 PolarHBondContact O-N 2.85Å; I211-M226 HydrophobicContact CD1-CE 4.2Å; I211-M226 HydrophobicContact CG1-CE 4.18Å |
| 212 | E | 95.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 122.1 | 162.9 | -167.7 | -167.5 | 86 | 0 | 0 | 109.7 | R200 R201 G222 E223 | R200-E212 WeakPolarHBondContact CB-OE1 3.46Å; R200-E212 VanDerWaalsContact CD-OE1 3.25Å; R200-E212 WeakPolarHBondContact CD-OE1 3.25Å; R200-E212 IonicContact CZ-OE1 3.44Å; R200-E212 VanDerWaalsContact CZ-OE1 3.31Å; R200-E212 PolarHBondContact N-O 2.89Å; R200-E212 IonicContact NE-OE1 2.63Å; R200-E212 PolarHBondContact NE-OE1 2.87Å; R200-E212 IonicContact NH1-OE1 2.73Å; R200-E212 PolarHBondContact NH1-OE1 2.85Å; R200-E212 IonicContact NH1-OE2 2.62Å; R201-E212 HydrophobicContact CG-CB 3.93Å; R201-E212 IonicContact CZ-OE2 3.58Å; R201-E212 PolarHBondContact N-O 3.11Å; R201-E212 IonicContact NH1-OE1 2.64Å; R201-E212 PolarHBondContact NH1-OE1 3.38Å; R201-E212 VanDerWaalsContact NH1-OE1 3.14Å; R201-E212 IonicContact NH1-OE2 3.65Å; R201-E212 PolarHBondContact NH1-OE2 2.83Å; R201-E212 IonicContact NH2-OE2 2.67Å; R201-E212 PolarHBondContact NH2-OE2 2.84Å; R201-E212 PolarHBondContact O-N 3.21Å; E212-G222 CarbonylContact C-O 3.59Å; E212-G222 WeakPolarHBondContact CA-O 3.49Å; E212-E223 HydrophobicContact CB-CB 4.47Å |
| 213 | V | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 147.4 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | L161 L194 N198 I199 I211 I219 G220 P221 G222 | L161-V213 HydrophobicContact CD1-CG2 3.53Å; L194-V213 HydrophobicContact CD1-CG1 4.09Å; L194-V213 HydrophobicContact CD2-CG1 4.05Å; N198-V213 WeakPolarHBondContact O-CA 3.49Å; I199-V213 HydrophobicContact CG1-CG1 4.32Å; I211-V213 HydrophobicContact CG2-CG1 3.88Å; V213-I219 HydrophobicContact CG2-CG2 3.85Å; V213-G220 WeakPolarHBondContact CG2-O 3.42Å; V213-P221 WeakPolarHBondContact O-CA 3.45Å; V213-G222 WeakPolarHBondContact CG2-O 3.41Å; V213-G222 PolarHBondContact N-O 3.02Å; V213-G222 PolarHBondContact O-N 3.4Å |
| 214 | G | 95 | Very high | 94.5 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | trans | -86.7 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N198 S216 S217 | N198-G214 PolarHBondContact O-N 2.83Å; G214-S216 PolarHBondContact O-N 2.76Å; G214-S217 WeakPolarHBondContact O-CB 3.38Å; G214-S217 PolarHBondContact O-N 2.81Å | ||
| 215 | R | 94.6 | Very high | 94.4 | Very high | 228 Ų | 228 | 48 Ų | 48 | 86% | 0.86 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.6 | -178.9 | -67.6 | 177.4 | 64.4 | -170.9 | -0.6 | 113.7 | S217 P221 | R215-S217 PolarHBondContact O-N 2.89Å; R215-P221 HydrophobicContact CG-CB 4.04Å; R215-P221 HydrophobicContact CG-CG 4.09Å |
| 216 | S | 92.6 | Very high | 94.5 | Very high | 96 Ų | 96 | 45.3 Ų | 45.3 | 67% | 0.671 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.3 | 176.9 | -45.8 | 0 | 0 | 0 | 0 | 114.1 | N198 G214 | N198-S216 PolarHBondContact ND2-O 3.34Å; N198-S216 VanDerWaalsContact ND2-O 3.1Å; N198-S216 VanDerWaalsContact OD1-CB 3.24Å; N198-S216 WeakPolarHBondContact OD1-CB 3.07Å; G214-S216 PolarHBondContact O-N 2.76Å |
| 217 | S | 92.5 | Very high | 94.6 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -74.3 | 141.4 | 179.6 | -161.8 | 0 | 0 | 0 | 0 | 111.7 | L194 G214 R215 I219 G220 | L194-S217 WeakPolarHBondContact CD2-OG 3.37Å; G214-S217 WeakPolarHBondContact O-CB 3.38Å; G214-S217 PolarHBondContact O-N 2.81Å; R215-S217 PolarHBondContact O-N 2.89Å; S217-I219 PolarHBondContact O-N 2.87Å; S217-I219 VanDerWaalsContact O-N 3.11Å; S217-G220 PolarHBondContact O-N 2.83Å |
| 218 | S | 87.9 | Confident | 94.6 | Very high | 90 Ų | 90 | 40.6 Ų | 40.6 | 63% | 0.629 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -31.9 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | N193 | N193-S218 PolarHBondContact O-OG 3.43Š|
| 219 | I | 91.4 | Very high | 94.4 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9.6 | 179.3 | -167.3 | 164.8 | 0 | 0 | 0 | 113.6 | L161 K165 L167 V192 L194 V213 S217 | L161-I219 HydrophobicContact CB-CD1 4.41Å; L161-I219 HydrophobicContact CD1-CD1 4.47Å; L161-I219 HydrophobicContact CD1-CG1 4.44Å; L161-I219 HydrophobicContact CD1-CG2 3.94Å; L161-I219 HydrophobicContact CD2-CG1 4.44Å; K165-I219 HydrophobicContact CB-CD1 3.95Å; K165-I219 HydrophobicContact CB-CG1 4.25Å; K165-I219 HydrophobicContact CD-CD1 4.47Å; K165-I219 HydrophobicContact CD-CG1 3.84Å; K165-I219 WeakPolarHBondContact CE-O 3.31Å; K165-I219 HydrophobicContact CG-CD1 3.8Å; K165-I219 HydrophobicContact CG-CG1 3.59Å; K165-I219 PolarHBondContact NZ-O 2.91Å; L167-I219 HydrophobicContact CD1-CD1 3.47Å; L167-I219 VanDerWaalsContact CD1-CD1 3.47Å; V192-I219 HydrophobicContact CG1-CB 4.31Å; V192-I219 HydrophobicContact CG1-CD1 4.22Å; V192-I219 HydrophobicContact CG2-CD1 4.01Å; L194-I219 HydrophobicContact CD2-CG2 3.89Å; V213-I219 HydrophobicContact CG2-CG2 3.85Å; S217-I219 PolarHBondContact O-N 2.87Å; S217-I219 VanDerWaalsContact O-N 3.11Å |
| 220 | G | 91.6 | Very high | 94.1 | Very high | 20 Ų | 20 | 44 Ų | 44 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | trans | 87.2 | 175.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113 | V213 S217 | V213-G220 WeakPolarHBondContact CG2-O 3.42Å; S217-G220 PolarHBondContact O-N 2.83Å | ||
| 221 | P | 95.3 | Very high | 94 | Very high | 77 Ų | 77 | 45.4 Ų | 45.4 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -73.8 | 148.8 | 179.7 | 32.4 | -35.6 | 0 | 0 | 0 | 112 | V213 R215 | V213-P221 WeakPolarHBondContact O-CA 3.45Å; R215-P221 HydrophobicContact CG-CB 4.04Å; R215-P221 HydrophobicContact CG-CG 4.09Å |
| 222 | G | 94.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.2 | -173.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E212 V213 | E212-G222 CarbonylContact C-O 3.59Å; E212-G222 WeakPolarHBondContact CA-O 3.49Å; V213-G222 WeakPolarHBondContact CG2-O 3.41Å; V213-G222 PolarHBondContact N-O 3.02Å; V213-G222 PolarHBondContact O-N 3.4Å |
| 223 | E | 95.2 | Very high | 93.7 | Very high | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 140.5 | -175.5 | 50.8 | 178.4 | -142.3 | 0 | 0 | 113.2 | L161 R201 I211 E212 W225 | L161-E223 WeakPolarHBondContact CB-O 3.33Å; L161-E223 PolarHBondContact N-O 3.04Å; R201-E223 IonicContact NH2-OE2 2.94Å; I211-E223 CarbonylContact O-C 3.51Å; I211-E223 WeakPolarHBondContact O-CA 3.49Å; E212-E223 HydrophobicContact CB-CB 4.47Å; E223-W225 PolarHBondContact OE1-NE1 2.84Å |
| 224 | I | 95.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 114.6 | 172.2 | -57.7 | 168.5 | 0 | 0 | 0 | 107.2 | V156 L161 L194 F210 I211 M226 | V156-I224 HydrophobicContact CG1-CG2 3.89Å; L161-I224 HydrophobicContact CB-CG1 3.81Å; L161-I224 HydrophobicContact CD1-CG1 4.05Å; L194-I224 HydrophobicContact CD1-CD1 3.94Å; F210-I224 VanDerWaalsContact CA-O 3.32Å; F210-I224 WeakPolarHBondContact CA-O 3.33Å; I211-I224 PolarHBondContact N-O 3.1Å; I211-I224 PolarHBondContact O-N 2.85Å; I224-M226 HydrophobicContact CG2-CE 4.15Å |
| 225 | W | 96 | Very high | 93.7 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.6 | 173.6 | -70.1 | 85.1 | 0 | 0 | 0 | 110.8 | V156 K157 K159 F208 F210 E223 | V156-W225 WeakPolarHBondContact CA-O 3.17Å; K157-W225 HydrophobicContact CB-CB 4.5Å; K157-W225 PolarHBondContact N-O 2.87Å; K159-W225 HydrophobicContact CB-CB 4.12Å; K159-W225 HydrophobicContact CB-CG 4.01Å; K159-W225 HydrophobicContact CD-CB 4.42Å; K159-W225 HydrophobicContact CD-CD2 4.46Å; K159-W225 HydrophobicContact CD-CG 4.09Å; F208-W225 HydrophobicContact CB-CE3 4.15Å; F208-W225 HydrophobicContact CB-CZ3 4.33Å; F210-W225 HydrophobicContact CB-CD2 3.9Å; F210-W225 HydrophobicContact CB-CE3 3.87Å; F210-W225 HydrophobicContact CB-CG 4.41Å; F210-W225 HydrophobicContact CB-CH2 4.42Å; F210-W225 HydrophobicContact CB-CZ2 4.45Å; F210-W225 HydrophobicContact CB-CZ3 4.15Å; F210-W225 HydrophobicContact CD1-CE3 4.4Å; F210-W225 AromaticContact CD1-CH2 3.84Å; F210-W225 HydrophobicContact CD1-CH2 3.84Å; F210-W225 HydrophobicContact CD1-CZ2 4.45Å; F210-W225 AromaticContact CD1-CZ3 3.81Å; F210-W225 HydrophobicContact CD1-CZ3 3.81Å; F210-W225 HydrophobicContact CE1-CH2 4.42Å; F210-W225 HydrophobicContact CG-CH2 4.26Å; F210-W225 HydrophobicContact CG-CZ2 4.44Å; F210-W225 HydrophobicContact CG-CZ3 4.29Å; E223-W225 PolarHBondContact OE1-NE1 2.84Å |
| 226 | M | 96.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 140.6 | 174.6 | 70 | -155.7 | 84.1 | 0 | 0 | 111.4 | V154 N155 V156 L173 F208 F209 I211 I224 M237 | V154-M226 HydrophobicContact CB-CB 4.05Å; V154-M226 HydrophobicContact CB-CG 3.97Å; V154-M226 HydrophobicContact CB-SD 3.95Å; V154-M226 HydrophobicContact CG1-CG 4.27Å; V154-M226 HydrophobicContact CG1-SD 3.96Å; V154-M226 HydrophobicContact CG2-CB 4.21Å; V154-M226 HydrophobicContact CG2-CG 4.29Å; V154-M226 HydrophobicContact CG2-SD 3.78Å; N155-M226 WeakPolarHBondContact O-CA 3.39Å; V156-M226 HydrophobicContact CB-CB 4.49Å; V156-M226 HydrophobicContact CG2-CB 4.04Å; L173-M226 HydrophobicContact CD1-CE 3.89Å; L173-M226 HydrophobicContact CD1-SD 3.55Å; L173-M226 VanDerWaalsContact CD1-SD 3.55Å; F208-M226 CarbonylContact C-O 3.52Å; F208-M226 WeakPolarHBondContact CA-O 3.21Å; F209-M226 HydrophobicContact CB-CG 4.18Å; F209-M226 HydrophobicContact CD1-CE 3.84Å; F209-M226 HydrophobicContact CD1-CG 4.12Å; F209-M226 HydrophobicContact CD1-SD 3.78Å; F209-M226 HydrophobicContact CE1-CE 4.2Å; F209-M226 HydrophobicContact CE1-SD 4.44Å; F209-M226 PolarHBondContact N-O 3.27Å; F209-M226 PolarHBondContact O-N 3.32Å; F209-M226 VanDerWaalsContact O-O 3.11Å; I211-M226 HydrophobicContact CD1-CE 4.2Å; I211-M226 HydrophobicContact CG1-CE 4.18Å; I224-M226 HydrophobicContact CG2-CE 4.15Å; M226-M237 HydrophobicContact SD-CE 4.28Å |
| 227 | Q | 96.2 | Very high | 93.7 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 141 | 174.7 | -172.4 | 176 | 23.3 | 0 | 0 | 110 | N155 S207 F208 | N155-Q227 HydrophobicContact CB-CB 4.42Å; N155-Q227 PolarHBondContact N-O 3.09Å; N155-Q227 PolarHBondContact O-N 3.49Å; S207-Q227 WeakPolarHBondContact O-CA 3.42Å; S207-Q227 PolarHBondContact OG-NE2 2.99Å; F208-Q227 HydrophobicContact CD1-CB 3.85Å; F208-Q227 HydrophobicContact CD1-CG 4.24Å; F208-Q227 HydrophobicContact CE1-CB 3.78Å; F208-Q227 HydrophobicContact CE1-CG 4Å; F208-Q227 HydrophobicContact CZ-CG 4.45Å |
| 228 | V | 94.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | trans | -119.2 | 176.6 | 170.9 | -68.4 | 0 | 0 | 0 | 0 | 110.1 | V154 S207 D230 V233 A234 M237 | V154-V228 HydrophobicContact CB-CG1 4.49Å; V154-V228 HydrophobicContact CG1-CG1 3.92Å; S207-V228 WeakPolarHBondContact O-CG2 3.42Å; S207-V228 PolarHBondContact O-N 3.21Å; V228-D230 WeakPolarHBondContact CG2-O 3.41Å; V228-V233 HydrophobicContact CB-CB 4.38Å; V228-V233 HydrophobicContact CB-CG1 4.12Å; V228-V233 HydrophobicContact CG1-CG1 4.36Å; V228-V233 HydrophobicContact CG2-CB 4.14Å; V228-V233 HydrophobicContact CG2-CG1 4.3Å; V228-A234 HydrophobicContact CG2-CB 3.65Å; V228-M237 HydrophobicContact CG1-SD 3.66Å | ||
| 229 | D | 90.9 | Very high | 94.1 | Very high | 99 Ų | 99 | 40.7 Ų | 40.7 | 53% | 0.529 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -67.4 | -39.5 | -173.1 | -57.2 | -67.2 | 0 | 0 | 0 | 113.7 | ||
| 230 | D | 92.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | trans | -144 | 157.4 | -176.1 | -71.9 | -59.9 | 0 | 0 | 0 | 111.6 | S86 K87 V228 V232 V233 A234 | S86-D230 PolarHBondContact N-OD2 2.77Å; S86-D230 VanDerWaalsContact N-OD2 3.08Å; S86-D230 PolarHBondContact OG-OD1 3.33Å; S86-D230 PolarHBondContact OG-OD2 2.79Å; K87-D230 IonicContact NZ-OD1 2.69Å; K87-D230 PolarHBondContact NZ-OD1 3Å; K87-D230 IonicContact NZ-OD2 2.69Å; K87-D230 PolarHBondContact NZ-OD2 2.95Å; V228-D230 WeakPolarHBondContact CG2-O 3.41Å; D230-V232 VanDerWaalsContact C-N 3.31Å; D230-V232 PolarHBondContact O-N 3.38Å; D230-V233 HydrophobicContact CB-CG2 4.35Å; D230-V233 WeakPolarHBondContact O-CB 3.49Å; D230-V233 PolarHBondContact O-N 2.86Å; D230-V233 VanDerWaalsContact O-N 3.1Å; D230-A234 PolarHBondContact O-N 2.97Å | ||
| 231 | S | 93.9 | Very high | 94.4 | Very high | 63 Ų | 63 | 39.8 Ų | 39.8 | 44% | 0.441 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62 | -33.3 | 176.4 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | E206 V233 A234 Q235 | E206-S231 VanDerWaalsContact O-CA 3.23Å; E206-S231 WeakPolarHBondContact O-CA 3.25Å; E206-S231 VanDerWaalsContact O-CB 3.24Å; E206-S231 WeakPolarHBondContact O-CB 3.28Å; S231-V233 PolarHBondContact O-N 3.26Å; S231-A234 WeakPolarHBondContact O-CB 2.92Å; S231-A234 PolarHBondContact O-N 2.87Å; S231-A234 VanDerWaalsContact O-N 3.09Å; S231-Q235 PolarHBondContact O-N 2.73Å |
| 232 | V | 92.8 | Very high | 94.3 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 38% | 0.382 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.2 | -39 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | D230 N236 | D230-V232 VanDerWaalsContact C-N 3.31Å; D230-V232 PolarHBondContact O-N 3.38Å; V232-N236 WeakPolarHBondContact O-CB 3.5Å; V232-N236 PolarHBondContact O-N 2.8Å |
| 233 | V | 92.5 | Very high | 94.2 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.6 | -38.5 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | D85 V228 D230 S231 N236 M237 | D85-V233 HydrophobicContact CB-CG2 4.26Å; V228-V233 HydrophobicContact CB-CB 4.38Å; V228-V233 HydrophobicContact CB-CG1 4.12Å; V228-V233 HydrophobicContact CG1-CG1 4.36Å; V228-V233 HydrophobicContact CG2-CB 4.14Å; V228-V233 HydrophobicContact CG2-CG1 4.3Å; D230-V233 HydrophobicContact CB-CG2 4.35Å; D230-V233 WeakPolarHBondContact O-CB 3.49Å; D230-V233 PolarHBondContact O-N 2.86Å; D230-V233 VanDerWaalsContact O-N 3.1Å; S231-V233 PolarHBondContact O-N 3.26Å; V233-N236 PolarHBondContact O-N 3.25Å; V233-M237 WeakPolarHBondContact O-CG 3.44Å; V233-M237 PolarHBondContact O-N 2.84Å |
| 234 | A | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | H204 V228 D230 S231 M237 H238 | H204-A234 HydrophobicContact CB-CB 3.83Å; H204-A234 WeakPolarHBondContact CB-O 3.26Å; V228-A234 HydrophobicContact CG2-CB 3.65Å; D230-A234 PolarHBondContact O-N 2.97Å; S231-A234 WeakPolarHBondContact O-CB 2.92Å; S231-A234 PolarHBondContact O-N 2.87Å; S231-A234 VanDerWaalsContact O-N 3.09Å; A234-M237 PolarHBondContact O-N 2.74Å; A234-H238 PolarHBondContact O-N 2.63Å |
| 235 | Q | 94.8 | Very high | 93.9 | Very high | 86 Ų | 86 | 41 Ų | 41 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.1 | -49.9 | 172.9 | -177.9 | 176.2 | -6.2 | 0 | 0 | 111.4 | S231 M237 H238 E239 | S231-Q235 PolarHBondContact O-N 2.73Å; Q235-M237 VanDerWaalsContact C-N 3.3Å; Q235-M237 PolarHBondContact O-N 3Å; Q235-H238 WeakPolarHBondContact O-CB 3.48Å; Q235-H238 PolarHBondContact O-N 3.18Å; Q235-H238 VanDerWaalsContact O-N 3.09Å; Q235-E239 HydrophobicContact CG-CG 4.39Å; Q235-E239 VanDerWaalsContact CG-OE1 3.25Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.25Å; Q235-E239 PolarHBondContact NE2-OE1 3.45Å; Q235-E239 WeakPolarHBondContact O-CG 3.04Å; Q235-E239 PolarHBondContact O-N 3.2Å |
| 236 | N | 93.1 | Very high | 93.6 | Very high | 52 Ų | 52 | 45.2 Ų | 45.2 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57 | -42.7 | 175.8 | -172.8 | 139 | 0 | 0 | 0 | 111.6 | V232 V233 H238 E239 T240 | V232-N236 WeakPolarHBondContact O-CB 3.5Å; V232-N236 PolarHBondContact O-N 2.8Å; V233-N236 PolarHBondContact O-N 3.25Å; N236-H238 VanDerWaalsContact C-N 3.34Å; N236-H238 PolarHBondContact O-N 2.91Å; N236-E239 PolarHBondContact O-N 2.93Å; N236-T240 PolarHBondContact ND2-OG1 3.43Å; N236-T240 PolarHBondContact O-N 3.05Å; N236-T240 PolarHBondContact O-OG1 2.82Å |
| 237 | M | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 175.6 | -79.5 | -166.5 | 75.6 | 0 | 0 | 111.6 | W152 V154 L173 F209 M226 V228 V233 A234 Q235 I241 | W152-M237 HydrophobicContact CB-CE 4.06Å; W152-M237 HydrophobicContact CB-CG 4.44Å; W152-M237 HydrophobicContact CB-SD 3.93Å; W152-M237 HydrophobicContact CD2-CE 3.93Å; W152-M237 HydrophobicContact CD2-CG 3.73Å; W152-M237 HydrophobicContact CD2-SD 4.21Å; W152-M237 HydrophobicContact CE3-CE 3.93Å; W152-M237 HydrophobicContact CE3-CG 4.49Å; W152-M237 HydrophobicContact CG-CE 4.03Å; W152-M237 HydrophobicContact CG-CG 3.7Å; W152-M237 HydrophobicContact CG-SD 3.84Å; W152-M237 HydrophobicContact CZ2-CG 4.2Å; V154-M237 HydrophobicContact CG1-CE 3.89Å; V154-M237 HydrophobicContact CG1-SD 3.91Å; L173-M237 HydrophobicContact CB-CE 4.26Å; L173-M237 HydrophobicContact CD1-CE 3.92Å; L173-M237 HydrophobicContact CD2-CE 4Å; L173-M237 HydrophobicContact CG-CE 4.27Å; F209-M237 HydrophobicContact CD1-CB 4.24Å; F209-M237 HydrophobicContact CD1-CE 3.64Å; F209-M237 HydrophobicContact CD1-SD 4.18Å; F209-M237 HydrophobicContact CD2-CB 4.19Å; F209-M237 HydrophobicContact CE1-CB 4.46Å; F209-M237 HydrophobicContact CE1-CE 3.9Å; F209-M237 HydrophobicContact CE2-CB 4.45Å; F209-M237 HydrophobicContact CG-CB 4.12Å; F209-M237 HydrophobicContact CG-CE 4.47Å; F209-M237 HydrophobicContact CG-SD 4.49Å; M226-M237 HydrophobicContact SD-CE 4.28Å; V228-M237 HydrophobicContact CG1-SD 3.66Å; V233-M237 WeakPolarHBondContact O-CG 3.44Å; V233-M237 PolarHBondContact O-N 2.84Å; A234-M237 PolarHBondContact O-N 2.74Å; Q235-M237 VanDerWaalsContact C-N 3.3Å; Q235-M237 PolarHBondContact O-N 3Å; M237-I241 HydrophobicContact CE-CD1 4.37Å; M237-I241 VanDerWaalsContact O-CB 3.28Å; M237-I241 WeakPolarHBondContact O-CB 3.1Å; M237-I241 WeakPolarHBondContact O-CD1 3.09Å; M237-I241 VanDerWaalsContact O-CG1 3.25Å; M237-I241 WeakPolarHBondContact O-CG1 3.43Å; M237-I241 PolarHBondContact O-N 3.38Å; M237-I241 VanDerWaalsContact O-N 3.1Å |
| 238 | H | 95.3 | Very high | 92.8 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 16% | 0.162 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 177 | 174.7 | 53.1 | 0 | 0 | 0 | 112.3 | C202 G203 H204 F209 A234 Q235 N236 L242 | C202-H238 PolarHBondContact O-CE1 3.05Å; C202-H238 PolarHBondContact O-ND1 3.46Å; C202-H238 PolarHBondContact SG-ND1 3.49Å; G203-H238 WeakPolarHBondContact CA-ND1 3.48Å; H204-H238 HydrophobicContact CB-CB 4.36Å; H204-H238 AromaticContact ND1-CD2 3.62Å; H204-H238 AromaticContact ND1-CG 3.84Å; F209-H238 HydrophobicContact CD2-CB 4.14Å; F209-H238 HydrophobicContact CE2-CB 3.89Å; A234-H238 PolarHBondContact O-N 2.63Å; Q235-H238 WeakPolarHBondContact O-CB 3.48Å; Q235-H238 PolarHBondContact O-N 3.18Å; Q235-H238 VanDerWaalsContact O-N 3.09Å; N236-H238 VanDerWaalsContact C-N 3.34Å; N236-H238 PolarHBondContact O-N 2.91Å; H238-L242 WeakPolarHBondContact O-CB 3.2Å; H238-L242 PolarHBondContact O-N 3.14Å |
| 239 | E | 94.5 | Very high | 92.1 | Very high | 102 Ų | 102 | 51.9 Ų | 51.9 | 48% | 0.477 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.5 | -48.5 | -176.9 | -72.6 | 173.8 | -173.7 | 0 | 0 | 112.1 | Q235 N236 I241 L242 E243 | Q235-E239 HydrophobicContact CG-CG 4.39Å; Q235-E239 VanDerWaalsContact CG-OE1 3.25Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.25Å; Q235-E239 PolarHBondContact NE2-OE1 3.45Å; Q235-E239 WeakPolarHBondContact O-CG 3.04Å; Q235-E239 PolarHBondContact O-N 3.2Å; N236-E239 PolarHBondContact O-N 2.93Å; E239-I241 PolarHBondContact O-N 2.77Å; E239-L242 PolarHBondContact O-N 2.69Å; E239-E243 VanDerWaalsContact O-CB 3.31Å; E239-E243 WeakPolarHBondContact O-CB 3.22Å; E239-E243 PolarHBondContact O-N 2.84Å |
| 240 | T | 93.7 | Very high | 91.4 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 9% | 0.086 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -46.1 | 174.7 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | E150 W152 L175 N236 E243 T244 | E150-T240 HydrophobicContact CG-CG2 4.16Å; E150-T240 WeakPolarHBondContact OE1-CB 3.26Å; E150-T240 WeakPolarHBondContact OE1-CG2 3.24Å; E150-T240 PolarHBondContact OE1-OG1 2.8Å; W152-T240 HydrophobicContact CH2-CG2 3.88Å; W152-T240 HydrophobicContact CZ2-CG2 4.18Å; L175-T240 HydrophobicContact CD2-CG2 3.49Å; L175-T240 VanDerWaalsContact CD2-CG2 3.49Å; N236-T240 PolarHBondContact ND2-OG1 3.43Å; N236-T240 PolarHBondContact O-N 3.05Å; N236-T240 PolarHBondContact O-OG1 2.82Å; T240-E243 PolarHBondContact O-N 3.47Å; T240-T244 PolarHBondContact O-N 2.89Å; T240-T244 PolarHBondContact O-OG1 2.83Å |
| 241 | I | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.5 | -38.6 | -176.7 | -68.9 | 167.4 | 0 | 0 | 0 | 110.2 | W152 L173 L175 I180 C202 F209 M237 E239 T244 M245 | W152-I241 HydrophobicContact CH2-CD1 4.44Å; W152-I241 HydrophobicContact CH2-CG1 4.25Å; W152-I241 HydrophobicContact CZ3-CD1 4.33Å; W152-I241 HydrophobicContact CZ3-CG1 4.48Å; L173-I241 HydrophobicContact CD2-CD1 4.01Å; L175-I241 HydrophobicContact CD2-CG1 4.07Å; I180-I241 HydrophobicContact CD1-CD1 3.98Å; I180-I241 HydrophobicContact CD1-CG1 4.11Å; I180-I241 HydrophobicContact CD1-CG2 3.85Å; C202-I241 HydrophobicContact CB-CG2 4.48Å; F209-I241 HydrophobicContact CE1-CD1 3.57Å; F209-I241 HydrophobicContact CZ-CB 4.47Å; F209-I241 HydrophobicContact CZ-CD1 3.51Å; M237-I241 HydrophobicContact CE-CD1 4.37Å; M237-I241 VanDerWaalsContact O-CB 3.28Å; M237-I241 WeakPolarHBondContact O-CB 3.1Å; M237-I241 WeakPolarHBondContact O-CD1 3.09Å; M237-I241 VanDerWaalsContact O-CG1 3.25Å; M237-I241 WeakPolarHBondContact O-CG1 3.43Å; M237-I241 PolarHBondContact O-N 3.38Å; M237-I241 VanDerWaalsContact O-N 3.1Å; E239-I241 PolarHBondContact O-N 2.77Å; I241-T244 WeakPolarHBondContact CA-OG1 3.38Å; I241-T244 PolarHBondContact O-OG1 3.37Å; I241-T244 VanDerWaalsContact O-OG1 3.08Å; I241-M245 HydrophobicContact CG2-SD 4.2Å; I241-M245 WeakPolarHBondContact O-CB 3.09Å; I241-M245 WeakPolarHBondContact O-CG 3.34Å; I241-M245 PolarHBondContact O-N 2.72Å |
| 242 | L | 93.8 | Very high | 88.3 | Confident | 57 Ų | 57 | 56 Ų | 56 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 174.9 | -177.1 | 61.5 | 0 | 0 | 0 | 112.3 | H238 E239 K246 | H238-L242 WeakPolarHBondContact O-CB 3.2Å; H238-L242 PolarHBondContact O-N 3.14Å; E239-L242 PolarHBondContact O-N 2.69Å; L242-K246 HydrophobicContact CG-CD 4.37Å; L242-K246 WeakPolarHBondContact O-CD 3.4Å; L242-K246 VanDerWaalsContact O-CG 3.23Å; L242-K246 WeakPolarHBondContact O-CG 3.42Å; L242-K246 PolarHBondContact O-N 2.96Å |
| 243 | E | 93 | Very high | 86.4 | Confident | 108 Ų | 108 | 60.9 Ų | 60.9 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -51.7 | 173.2 | -175.5 | -160.7 | -129.2 | 0 | 0 | 111.1 | K149 E239 T240 M245 K246 A247 | K149-E243 IonicContact NZ-OE2 3.04Å; K149-E243 PolarHBondContact NZ-OE2 3.08Å; E239-E243 VanDerWaalsContact O-CB 3.31Å; E239-E243 WeakPolarHBondContact O-CB 3.22Å; E239-E243 PolarHBondContact O-N 2.84Å; T240-E243 PolarHBondContact O-N 3.47Å; E243-M245 VanDerWaalsContact C-N 3.32Å; E243-M245 PolarHBondContact O-N 2.86Å; E243-K246 WeakPolarHBondContact O-CA 3.18Å; E243-K246 WeakPolarHBondContact O-CB 3.43Å; E243-K246 PolarHBondContact O-N 3.43Å; E243-A247 PolarHBondContact O-N 2.94Å |
| 244 | T | 91.9 | Very high | 84.4 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 178.9 | 48 | 0 | 0 | 0 | 0 | 112.4 | K149 L175 T240 I241 K246 A247 L248 | K149-T244 HydrophobicContact CD-CG2 3.87Å; L175-T244 HydrophobicContact CD2-CG2 4.03Å; T240-T244 PolarHBondContact O-N 2.89Å; T240-T244 PolarHBondContact O-OG1 2.83Å; I241-T244 WeakPolarHBondContact CA-OG1 3.38Å; I241-T244 PolarHBondContact O-OG1 3.37Å; I241-T244 VanDerWaalsContact O-OG1 3.08Å; T244-K246 VanDerWaalsContact C-N 3.34Å; T244-K246 PolarHBondContact O-N 2.95Å; T244-A247 PolarHBondContact O-N 3.4Å; T244-L248 WeakPolarHBondContact O-CB 3.46Å; T244-L248 PolarHBondContact O-N 3.16Å |
| 245 | M | 91 | Very high | 82.6 | Confident | 15 Ų | 15 | 77.7 Ų | 77.7 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.5 | -33.6 | 169.5 | -75 | 179.1 | 68.5 | 0 | 0 | 113.6 | L196 I199 I241 E243 K249 | L196-M245 HydrophobicContact CB-CG 4.26Å; L196-M245 HydrophobicContact CD2-CG 4.01Å; I199-M245 HydrophobicContact CB-CE 3.65Å; I199-M245 HydrophobicContact CB-SD 3.93Å; I199-M245 HydrophobicContact CD1-SD 4.17Å; I199-M245 HydrophobicContact CG2-CE 3.69Å; I199-M245 HydrophobicContact CG2-SD 3.73Å; I199-M245 WeakPolarHBondContact O-CE 3.45Å; I241-M245 HydrophobicContact CG2-SD 4.2Å; I241-M245 WeakPolarHBondContact O-CB 3.09Å; I241-M245 WeakPolarHBondContact O-CG 3.34Å; I241-M245 PolarHBondContact O-N 2.72Å; E243-M245 VanDerWaalsContact C-N 3.32Å; E243-M245 PolarHBondContact O-N 2.86Å; M245-K249 WeakPolarHBondContact O-CG 3.47Å; M245-K249 PolarHBondContact O-N 2.67Å |
| 246 | K | 90.1 | Very high | 80.3 | Confident | 133 Ų | 133 | 79.3 Ų | 79.3 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -71.5 | -47.1 | 174.2 | -74.2 | 162.4 | 177.2 | 171.5 | 0 | 110.9 | L242 E243 T244 L248 K249 A250 | L242-K246 HydrophobicContact CG-CD 4.37Å; L242-K246 WeakPolarHBondContact O-CD 3.4Å; L242-K246 VanDerWaalsContact O-CG 3.23Å; L242-K246 WeakPolarHBondContact O-CG 3.42Å; L242-K246 PolarHBondContact O-N 2.96Å; E243-K246 WeakPolarHBondContact O-CA 3.18Å; E243-K246 WeakPolarHBondContact O-CB 3.43Å; E243-K246 PolarHBondContact O-N 3.43Å; T244-K246 VanDerWaalsContact C-N 3.34Å; T244-K246 PolarHBondContact O-N 2.95Å; K246-L248 PolarHBondContact O-N 3.36Å; K246-K249 WeakPolarHBondContact O-CB 3.49Å; K246-K249 PolarHBondContact O-N 3.2Å; K246-K249 VanDerWaalsContact O-N 3.14Å; K246-A250 PolarHBondContact O-N 3.31Å |
| 247 | A | 88.9 | Confident | 78 | Confident | 43 Ų | 43 | 88.1 Ų | 88.1 | 36% | 0.355 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E243 T244 K249 A250 F251 | E243-A247 PolarHBondContact O-N 2.94Å; T244-A247 PolarHBondContact O-N 3.4Å; A247-K249 VanDerWaalsContact C-N 3.25Å; A247-K249 PolarHBondContact O-N 3.1Å; A247-A250 WeakPolarHBondContact O-CB 3.36Å; A247-A250 PolarHBondContact O-N 3.44Å; A247-A250 VanDerWaalsContact O-N 3.1Å; A247-F251 WeakPolarHBondContact O-CD2 3.21Å; A247-F251 PolarHBondContact O-N 3.27Å |
| 248 | L | 86.4 | Confident | 75.7 | Confident | 32 Ų | 32 | 92.8 Ų | 92.8 | 17% | 0.168 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.3 | -32.3 | 177 | -178.2 | 141.1 | 0 | 0 | 0 | 113.1 | K178 L196 M197 T244 K246 A252 | K178-L248 HydrophobicContact CB-CD1 4.31Å; K178-L248 HydrophobicContact CG-CD1 4.28Å; L196-L248 HydrophobicContact CB-CD1 4.23Å; L196-L248 HydrophobicContact CD1-CD1 4.36Å; M197-L248 HydrophobicContact CB-CD2 4.34Å; T244-L248 WeakPolarHBondContact O-CB 3.46Å; T244-L248 PolarHBondContact O-N 3.16Å; K246-L248 PolarHBondContact O-N 3.36Å; L248-A252 PolarHBondContact O-N 3.44Å |
| 249 | K | 81.3 | Confident | 73.3 | Confident | 137 Ų | 137 | 100.2 Ų | 100.2 | 60% | 0.596 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.7 | -40.2 | 174.3 | -73.5 | 174.9 | -179.3 | -178.2 | 0 | 112.3 | M245 K246 A247 F251 A252 E253 | M245-K249 WeakPolarHBondContact O-CG 3.47Å; M245-K249 PolarHBondContact O-N 2.67Å; K246-K249 WeakPolarHBondContact O-CB 3.49Å; K246-K249 PolarHBondContact O-N 3.2Å; K246-K249 VanDerWaalsContact O-N 3.14Å; A247-K249 VanDerWaalsContact C-N 3.25Å; A247-K249 PolarHBondContact O-N 3.1Å; K249-F251 VanDerWaalsContact C-N 3.35Å; K249-F251 PolarHBondContact O-N 2.62Å; K249-A252 PolarHBondContact O-N 3.45Å; K249-A252 VanDerWaalsContact O-N 3.15Å; K249-E253 PolarHBondContact O-N 2.64Å |
| 250 | A | 75.9 | Confident | 70.6 | Confident | 45 Ų | 45 | 100.1 Ų | 100.1 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K246 A247 A252 E253 F254 | K246-A250 PolarHBondContact O-N 3.31Å; A247-A250 WeakPolarHBondContact O-CB 3.36Å; A247-A250 PolarHBondContact O-N 3.44Å; A247-A250 VanDerWaalsContact O-N 3.1Å; A250-A252 VanDerWaalsContact C-N 3.3Å; A250-A252 PolarHBondContact O-N 3.48Å; A250-E253 PolarHBondContact O-N 2.85Å; A250-E253 VanDerWaalsContact O-N 3.13Å; A250-F254 WeakPolarHBondContact O-CD2 3.46Å; A250-F254 PolarHBondContact O-N 3Å; A250-F254 VanDerWaalsContact O-N 3.13Å |
| 251 | F | 61.3 | Low | 68.1 | Low | 160 Ų | 160 | 108.3 Ų | 108.3 | 70% | 0.702 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.9 | -31.2 | 175.5 | -66.2 | -65 | 0 | 0 | 0 | 113.7 | A247 K249 F254 | A247-F251 WeakPolarHBondContact O-CD2 3.21Å; A247-F251 PolarHBondContact O-N 3.27Å; K249-F251 VanDerWaalsContact C-N 3.35Å; K249-F251 PolarHBondContact O-N 2.62Å; F251-F254 PolarHBondContact O-N 2.98Å |
| 252 | A | 60.8 | Low | 65.6 | Low | 66 Ų | 66 | 113 Ų | 113 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.2 | -29.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | L248 K249 A250 | L248-A252 PolarHBondContact O-N 3.44Å; K249-A252 PolarHBondContact O-N 3.45Å; K249-A252 VanDerWaalsContact O-N 3.15Å; A250-A252 VanDerWaalsContact C-N 3.3Å; A250-A252 PolarHBondContact O-N 3.48Å |
| 253 | E | 52.8 | Low | 62.9 | Low | 166 Ų | 166 | 116.5 Ų | 116.5 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -76.4 | -23.8 | 175.9 | -167.5 | 155.4 | -146.7 | 0 | 0 | 112.4 | K249 A250 R255 | K249-E253 PolarHBondContact O-N 2.64Å; A250-E253 PolarHBondContact O-N 2.85Å; A250-E253 VanDerWaalsContact O-N 3.13Å; E253-R255 PolarHBondContact O-N 2.97Å; E253-R255 VanDerWaalsContact O-N 3.08Å |
| 254 | F | 49.5 | Very low | 60.2 | Low | 162 Ų | 162 | 115.1 Ų | 115.1 | 71% | 0.711 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 11.3 | 170.9 | -80.7 | -64.9 | 0 | 0 | 0 | 115.6 | A250 F251 P256 | A250-F254 WeakPolarHBondContact O-CD2 3.46Å; A250-F254 PolarHBondContact O-N 3Å; A250-F254 VanDerWaalsContact O-N 3.13Å; F251-F254 PolarHBondContact O-N 2.98Å; F254-P256 WeakPolarHBondContact O-CD 3.36Å |
| 255 | R | 57.4 | Low | 58.1 | Low | 208 Ų | 208 | 119.6 Ų | 119.6 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -64.3 | 113.7 | 154 | -93.3 | -166.4 | 171.2 | 100.4 | -1.1 | 107.5 | E253 R257 | E253-R255 PolarHBondContact O-N 2.97Å; E253-R255 VanDerWaalsContact O-N 3.08Å; R255-R257 PolarHBondContact O-N 3.39Å |
| 256 | P | 45.7 | Very low | 55.6 | Low | 121 Ų | 121 | 125.9 Ų | 125.9 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | trans | -63.2 | 110.7 | 166.7 | -8.7 | 26.2 | 0 | 0 | 0 | 105.1 | F254 S258 | F254-P256 WeakPolarHBondContact O-CD 3.36Å; P256-S258 PolarHBondContact O-N 3.04Å | ||
| 257 | R | 46.4 | Very low | 53.4 | Low | 237 Ų | 237 | 125.6 Ų | 125.6 | 89% | 0.894 | 69% | 0.692 | S | S | * | * | trans | -69.9 | 83.9 | 176.4 | -170.3 | -177.9 | -168.9 | 118 | 1.6 | 106.9 | R255 K259 | R255-R257 PolarHBondContact O-N 3.39Å; R257-K259 PolarHBondContact O-N 2.73Å; R257-K259 VanDerWaalsContact O-N 3.13Å | ||
| 258 | S | 45.1 | Very low | 50.8 | Low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | -48 | 122.9 | -175.3 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | P256 S260 | P256-S258 PolarHBondContact O-N 3.04Å; S258-S260 PolarHBondContact O-N 3.15Å | ||
| 259 | K | 45.1 | Very low | 48.4 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | trans | -76.8 | 69.6 | -176.9 | -73.6 | -175 | 178.2 | 177.9 | 0 | 109.2 | R257 Q261 | R257-K259 PolarHBondContact O-N 2.73Å; R257-K259 VanDerWaalsContact O-N 3.13Å; K259-Q261 PolarHBondContact O-N 3.36Å | ||
| 260 | S | 37.9 | Very low | 46.3 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -68.6 | 64.2 | 160.5 | 60.9 | 0 | 0 | 0 | 0 | 109.5 | S258 S262 | S258-S260 PolarHBondContact O-N 3.15Å; S260-S262 VanDerWaalsContact C-N 3.27Å; S260-S262 PolarHBondContact O-N 3.2Å; S260-S262 VanDerWaalsContact O-N 3.1Å | ||
| 261 | Q | 42.2 | Very low | 45.1 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -75.1 | 85.5 | 162.2 | -81.1 | -167.3 | -51.3 | 0 | 0 | 107.8 | K259 | K259-Q261 PolarHBondContact O-N 3.36Š| ||
| 262 | S | 41.9 | Very low | 44 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | -138 | 42 | 177.5 | 49.8 | 0 | 0 | 0 | 0 | 112.2 | S260 | S260-S262 VanDerWaalsContact C-N 3.27Å; S260-S262 PolarHBondContact O-N 3.2Å; S260-S262 VanDerWaalsContact O-N 3.1Å | ||
| 263 | S | 36.6 | Very low | 43 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -160.4 | 71 | 162.7 | -80 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 264 | G | 37 | Very low | 42.3 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -148.1 | 71.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 265 | S | 46.8 | Very low | 41.7 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -76.9 | 135.7 | -178.7 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 266 | N | 38.7 | Very low | 40.4 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 80.9 | 98.4 | 167.8 | -49.7 | -12.3 | 0 | 0 | 0 | 116.8 | ||||
| 267 | P | 44.3 | Very low | 39.8 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -78.5 | 148.5 | 148.2 | 34.1 | -31.4 | 0 | 0 | 0 | 110.4 | ||||
| 268 | M | 34.7 | Very low | 39.1 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | trans | -123.1 | 149.2 | 163.7 | -98.1 | -173.4 | 70.8 | 0 | 0 | 110.4 | ||||
| 269 | S | 35.7 | Very low | 38.5 | Very low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 147.8 | -156.3 | -48.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 270 | F | 36.5 | Very low | 38.1 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -62.8 | 140.8 | 155.2 | -71.5 | -98.5 | 0 | 0 | 0 | 110.5 | ||||
| 271 | I | 50.3 | Low | 39.3 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -128.8 | 120.8 | 150.6 | -64.1 | -178.9 | 0 | 0 | 0 | 106.6 | ||||
| 272 | T | 39.3 | Very low | 39.6 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 64% | 0.638 | 79% | 0.794 | S | S | * | * | trans | -95.2 | 141.3 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 273 | T | 39.8 | Very low | 39.4 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | trans | 27.7 | 119.5 | 150.9 | 55.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 274 | R | 36.5 | Very low | 39.5 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 75% | 0.751 | 79% | 0.793 | S | S | * | * | -168.9 | 128.2 | 120.2 | -101.7 | -164.5 | -156.1 | -60.4 | 5.2 | 113.5 | |||||
| 275 | R | 36.9 | Very low | 39.8 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | trans | 61.4 | 133.4 | 138.5 | -62.7 | -179.3 | 179.4 | 170.4 | -1.7 | 121.9 | ||||
| 276 | H | 30.9 | Very low | 39.3 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 90.7 | 144 | 131.4 | -100.1 | -117.9 | 0 | 0 | 0 | 121.8 | ||||
| 277 | L | 33.7 | Very low | 39.5 | Very low | 155 Ų | 155 | 144 Ų | 144 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | 60.2 | 98 | 159.5 | -61.3 | 167.5 | 0 | 0 | 0 | 116.3 | ||||
| 278 | G | 31.2 | Very low | 38.9 | Very low | 72 Ų | 72 | 145.6 Ų | 145.6 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -78.9 | 160.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 279 | N | 32.3 | Very low | 38.7 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | -123.4 | 139.2 | 162.3 | -78.7 | -42.9 | 0 | 0 | 0 | 108.2 | ||||
| 280 | L | 37.9 | Very low | 38.7 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -96.7 | -165.2 | 170.1 | -60.4 | 173.5 | 0 | 0 | 0 | 109.1 | ||||
| 281 | P | 61.2 | Low | 38.6 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | -121 | 173 | -97.8 | 36.4 | -19.8 | 0 | 0 | 0 | 114.1 | |||||
| 282 | P | 49.8 | Very low | 38.1 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | -122.1 | 173.9 | 117 | 38.7 | -35.6 | 0 | 0 | 0 | 111.1 | |||||
| 283 | S | 37.8 | Very low | 37.9 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | cis | -135.5 | -126.7 | 9.1 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 284 | Q | 38 | Very low | 37.5 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -156.3 | 167.9 | -170.8 | -66.5 | -175.7 | -12 | 0 | 0 | 111.6 | ||||
| 285 | T | 43.4 | Very low | 37.2 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | 68.7 | 149.1 | 167.9 | 75.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 286 | G | 35.6 | Very low | 37.1 | Very low | 68 Ų | 68 | 142 Ų | 142 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | 167.3 | 139.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 287 | L | 43 | Very low | 37 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 66.9 | 105.1 | 158.3 | -55.8 | 179.4 | 0 | 0 | 0 | 120.8 | ||||
| 288 | Q | 32.4 | Very low | 36.8 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | 63.7 | 123.6 | 118.8 | -64.6 | -167.4 | 14.1 | 0 | 0 | 123.4 | |||||
| 289 | R | 31.5 | Very low | 36.8 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | 50.6 | 121.5 | 129.5 | -73.2 | -176.1 | 156.9 | -141.7 | 2.1 | 120.8 | |||||
| 290 | R | 35 | Very low | 37.9 | Very low | 204 Ų | 204 | 138 Ų | 138 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 71.7 | 154.1 | 131.4 | -67.8 | -179.7 | -173.8 | -140.2 | -1.1 | 115.5 | ||||
| 291 | S | 34.3 | Very low | 38.1 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -168 | 151.1 | -8.4 | 39.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 292 | R | 39.2 | Very low | 36.5 | Very low | 219 Ų | 219 | 135.1 Ų | 135.1 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | 70.4 | 129.6 | 137.3 | -175.1 | -174.7 | 171.5 | 152.3 | 2.7 | 119.5 | ||||
| 293 | T | 35 | Very low | 35.5 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 61% | 0.607 | 76% | 0.76 | S | S | * | * | trans | 60.3 | 168.5 | 162.9 | 53.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 294 | E | 31.7 | Very low | 35.2 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | cis | -124.2 | -168.5 | 19.4 | -69.7 | -63.1 | 147.1 | 0 | 0 | 114.4 | ||||
| 295 | S | 31.4 | Very low | 34.9 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -122.5 | -172.7 | -171.2 | -174.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 296 | V | 33.4 | Very low | 34.3 | Very low | 125 Ų | 125 | 133 Ų | 133 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | trans | 102.2 | 102.7 | 160.4 | -171.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 297 | V | 29.5 | Very low | 34.1 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | 16.1 | 132.8 | 129.5 | -171.8 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 298 | G | 28.9 | Very low | 33.6 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | 173.3 | 119.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 299 | T | 32.1 | Very low | 33.5 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -115.3 | 177.3 | 170.8 | 51.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 300 | P | 54 | Low | 33.5 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | -115.8 | -163.1 | -53.7 | 39.2 | -23.1 | 0 | 0 | 0 | 109.3 | |||||
| 301 | P | 42.1 | Very low | 33.4 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -158.5 | -177.7 | 81.6 | 41.8 | -20.5 | 0 | 0 | 0 | 116.8 | |||||
| 302 | S | 28 | Very low | 33.3 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 48.8 | 134.6 | 137.6 | 177.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 303 | S | 29.7 | Very low | 32.8 | Very low | 87 Ų | 87 | 128 Ų | 128 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | cis | -173.9 | 150.6 | 1.3 | -92.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 304 | K | 31.5 | Very low | 32.8 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | 61.4 | 152.4 | 157.7 | -60.7 | 160.6 | -173.9 | 178.9 | 0 | 116.5 | ||||
| 305 | S | 31.8 | Very low | 32.8 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | cis | -164.8 | 168.4 | -20.7 | 52.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 306 | S | 29.4 | Very low | 32.7 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | cis | -170.8 | 159.5 | 20.7 | 30.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 307 | G | 31.5 | Very low | 32.6 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 82.1 | 95.1 | 167 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 308 | A | 32.5 | Very low | 32.5 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | cis | 100 | 88.7 | 36.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 309 | S | 31.3 | Very low | 32.7 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -168.1 | 149.7 | 138.5 | -164.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 310 | G | 31.9 | Very low | 32.8 | Very low | 60 Ų | 60 | 134.4 Ų | 134.4 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | trans | -117.1 | 151.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 311 | Y | 32.5 | Very low | 32 | Very low | 211 Ų | 211 | 130.5 Ų | 130.5 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | 64.7 | 130.7 | 66.8 | -103.2 | -71.4 | 0 | 0 | 0 | 112.2 | |||||
| 312 | R | 32.5 | Very low | 31.6 | Very low | 221 Ų | 221 | 129.4 Ų | 129.4 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | cis | -144 | 171.9 | 32.9 | -74.6 | -96.4 | 157.6 | 102.4 | -2.4 | 115.5 | ||||
| 313 | F | 28.6 | Very low | 31.7 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | -93.1 | 154 | 166.7 | -94.2 | -102 | 0 | 0 | 0 | 113.1 | ||||
| 314 | R | 33.8 | Very low | 31.8 | Very low | 214 Ų | 214 | 131 Ų | 131 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | 32.6 | 113.9 | 143.5 | -73.2 | -176.2 | 178 | -179.4 | -1.9 | 121.9 | ||||
| 315 | T | 32.9 | Very low | 32 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | 37.1 | 126.8 | 124.1 | 61.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 316 | S | 28.4 | Very low | 32.4 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | -165.6 | 166.9 | 143.8 | -93.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 317 | S | 31.1 | Very low | 32.4 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | 80.5 | 127 | 166.6 | -80 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 318 | E | 28.9 | Very low | 32.3 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | 46 | 142.8 | 129.4 | -61.3 | 148.2 | 137.8 | 0 | 0 | 120.5 | |||||
| 319 | G | 33.3 | Very low | 32.2 | Very low | 71 Ų | 71 | 145.3 Ų | 145.3 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | cis | 153.6 | 133.9 | -0.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 320 | E | 32.6 | Very low | 32.2 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | 79.5 | 120.6 | 155.5 | -151.3 | 150.4 | 177 | 0 | 0 | 121.3 | ||||
| 321 | G | 37 | Very low | 32.3 | Very low | 31 Ų | 31 | 147.4 Ų | 147.4 | 32% | 0.32 | 76% | 0.757 | S | S | . | * | trans | 154.4 | 155.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 322 | T | 34.2 | Very low | 32.1 | Very low | 88 Ų | 88 | 141.1 Ų | 141.1 | 54% | 0.54 | 76% | 0.757 | S | S | . | * | trans | -157.6 | -39.8 | -158.6 | 32.3 | 0 | 0 | 0 | 0 | 121.9 | Q907 D908 | T322-Q907 PolarHBondContact OG1-NE2 3.24Å; T322-D908 VanDerWaalsContact CA-OD1 3.22Å; T322-D908 WeakPolarHBondContact CA-OD1 3.44Å; T322-D908 WeakPolarHBondContact CB-OD1 3.37Å; T322-D908 PolarHBondContact N-OD1 3.47Å; T322-D908 PolarHBondContact OG1-OD1 3Å | ||
| 323 | M | 30.4 | Very low | 31.9 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 46% | 0.463 | 75% | 0.753 | S | S | . | * | trans | -87.5 | 152.1 | -139.2 | -89.8 | -62 | -163.1 | 0 | 0 | 121.9 | D908 | M323-D908 VanDerWaalsContact CB-CG 3.5Å; M323-D908 WeakPolarHBondContact CB-OD1 2.98Å; M323-D908 WeakPolarHBondContact CB-OD2 3.15Å; M323-D908 WeakPolarHBondContact CG-OD2 3.31Å; M323-D908 PolarHBondContact N-OD1 3.1Å | ||
| 324 | N | 32 | Very low | 32 | Very low | 132 Ų | 132 | 134 Ų | 134 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 67.8 | 92.2 | 148.7 | -70.4 | -30.6 | 0 | 0 | 0 | 120.9 | ||||
| 325 | R | 34.6 | Very low | 31.9 | Very low | 235 Ų | 235 | 130.3 Ų | 130.3 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 142 | 142.9 | -92.4 | -177.9 | 170.8 | 160.9 | -1.6 | 110.8 | ||
| 326 | P | 40.2 | Very low | 31.8 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 152.8 | 173.7 | -19.6 | 33.3 | 0 | 0 | 0 | 115 | ||
| 327 | F | 30.7 | Very low | 32.2 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 165.1 | 170.8 | -73 | -102.5 | 0 | 0 | 0 | 112.9 | ||
| 328 | R | 29.1 | Very low | 32 | Very low | 245 Ų | 245 | 134.2 Ų | 134.2 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | -170.2 | 156.6 | 109.5 | -101.9 | 178.7 | -161.6 | -79.9 | -1.4 | 114 | |||||
| 329 | S | 30.9 | Very low | 32 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -116.8 | 163.5 | 178.8 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 330 | A | 31.3 | Very low | 31.8 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | 51.7 | 97.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 331 | T | 32.8 | Very low | 31.7 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | 31.8 | 120.4 | 126.3 | 51.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 332 | G | 30 | Very low | 31.4 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | 116 | 149.1 | 146.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 333 | S | 28.2 | Very low | 32 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | -165.4 | 143.9 | -24.3 | -163.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 334 | L | 29.5 | Very low | 32 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 41.5 | 106.1 | 159 | -92.8 | 69.2 | 0 | 0 | 0 | 123.1 | ||||
| 335 | I | 31.2 | Very low | 31.8 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | trans | 57.5 | 136.8 | 133.8 | 17.5 | 176.1 | 0 | 0 | 0 | 126.4 | ||||
| 336 | H | 31.2 | Very low | 31.6 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 75.5 | 142.7 | 145.2 | -81 | -173.3 | 0 | 0 | 0 | 119.8 | ||||
| 337 | L | 36.9 | Very low | 31.1 | Very low | 133 Ų | 133 | 141 Ų | 141 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | cis | -150.1 | 174.5 | 8.5 | -123.8 | -179.9 | 0 | 0 | 0 | 113.2 | ||||
| 338 | N | 26.3 | Very low | 31.1 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 82 | 97 | 158.7 | -74.4 | -12.8 | 0 | 0 | 0 | 123.5 | ||||
| 339 | A | 30.5 | Very low | 31.1 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | 86 | 120.3 | 108 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 340 | A | 29.3 | Very low | 31 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | 65.2 | 159.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 341 | R | 30.5 | Very low | 30.8 | Very low | 232 Ų | 232 | 129.8 Ų | 129.8 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | cis | -177.4 | 146.3 | -49 | -120.7 | -170.9 | -174.5 | 168.7 | 2.4 | 108.8 | ||||
| 342 | V | 30.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 129 Ų | 129 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 77.9 | 149 | 146.7 | 162.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 343 | P | 46.6 | Very low | 30.5 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 60% | 0.597 | 77% | 0.771 | S | S | * | * | trans | -140 | -159 | -140.5 | 46.2 | -27.7 | 0 | 0 | 0 | 115.6 | ||||
| 344 | H | 29.8 | Very low | 30.5 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | 142.2 | 148.2 | 140.4 | -75.7 | 106.4 | 0 | 0 | 0 | 114.4 | ||||
| 345 | G | 27.7 | Very low | 30.5 | Very low | 79 Ų | 79 | 127.1 Ų | 127.1 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | 172.6 | 141.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 346 | R | 30.6 | Very low | 30.2 | Very low | 200 Ų | 200 | 131.9 Ų | 131.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -153.2 | 170.6 | -173.2 | -160.2 | -166.1 | 167.3 | -71.7 | -6.2 | 110.4 | D348 | R346-D348 IonicContact CZ-OD2 2.79Å; R346-D348 IonicContact NH1-OD2 2.72Å; R346-D348 PolarHBondContact NH1-OD2 3.1Å; R346-D348 IonicContact NH2-OD2 3.9Å | ||
| 347 | Q | 29.9 | Very low | 30.1 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 85.9 | 155.7 | 173.5 | -66 | -173.3 | -17.3 | 0 | 0 | 116.2 | ||||
| 348 | D | 30.2 | Very low | 29.7 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | cis | -173 | 168.5 | -42 | -111.1 | -47.2 | 0 | 0 | 0 | 108.2 | R346 | R346-D348 IonicContact CZ-OD2 2.79Å; R346-D348 IonicContact NH1-OD2 2.72Å; R346-D348 PolarHBondContact NH1-OD2 3.1Å; R346-D348 IonicContact NH2-OD2 3.9Å | ||
| 349 | S | 28.9 | Very low | 29.9 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | 67.8 | 167.5 | 165.8 | -54.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 350 | G | 28.1 | Very low | 29.8 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -171.9 | -178.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 351 | G | 28.5 | Very low | 29.9 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 158 | 140 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 352 | S | 27.3 | Very low | 29.9 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | 55.1 | 127.8 | 143 | -161.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 353 | G | 28.7 | Very low | 29.9 | Very low | 67 Ų | 67 | 121.8 Ų | 121.8 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 85.8 | 168.8 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 354 | S | 28.6 | Very low | 29.3 | Very low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | cis | -179.4 | 126.8 | -26.1 | 45.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 355 | S | 28.3 | Very low | 29.3 | Very low | 117 Ų | 117 | 116.1 Ų | 116.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 66.2 | 164.7 | 151.3 | -58.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 356 | W | 25.7 | Very low | 29.7 | Very low | 237 Ų | 237 | 119.2 Ų | 119.2 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | 74.9 | 123.8 | 168 | -137.7 | -91.8 | 0 | 0 | 0 | 115.7 | ||||
| 357 | S | 28.3 | Very low | 29.8 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | cis | 94.1 | 147.3 | 31.2 | -164.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 358 | G | 30 | Very low | 29.8 | Very low | 66 Ų | 66 | 112.1 Ų | 112.1 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | 119.8 | 101.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 359 | V | 28.8 | Very low | 29.8 | Very low | 137 Ų | 137 | 113 Ų | 113 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | cis | 89.8 | 94.1 | 42.5 | -175.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 360 | A | 30.1 | Very low | 29.9 | Very low | 81 Ų | 81 | 111.5 Ų | 111.5 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | trans | 22.4 | 149.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 361 | T | 31 | Very low | 30.1 | Very low | 147 Ų | 147 | 112.9 Ų | 112.9 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | 177.2 | 163.8 | 110 | 30.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 362 | G | 29.8 | Very low | 30.5 | Very low | 76 Ų | 76 | 118.6 Ų | 118.6 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | 91.5 | 106.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 363 | N | 31.1 | Very low | 30.7 | Very low | 167 Ų | 167 | 121.9 Ų | 121.9 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | cis | 104.1 | 143.6 | 1.3 | -150.4 | 62.5 | 0 | 0 | 0 | 117.6 | ||||
| 364 | A | 34.3 | Very low | 30.8 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | 79.7 | 133.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 365 | G | 30.5 | Very low | 30.9 | Very low | 62 Ų | 62 | 129.2 Ų | 129.2 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | cis | 176.2 | 161.1 | -10.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 366 | T | 34.1 | Very low | 30.9 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | 56.3 | 144 | 156.3 | 52.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 367 | S | 32.9 | Very low | 31.2 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | cis | -174.1 | 154.2 | -20 | 48.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 368 | T | 30.1 | Very low | 32 | Very low | 123 Ų | 123 | 125 Ų | 125 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | -172.3 | 167.4 | 71.9 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 369 | T | 31.6 | Very low | 31.9 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | 82.8 | 76.8 | 153.9 | -45.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 370 | S | 31 | Very low | 31.9 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | 77.2 | 131.7 | 116.8 | -150.6 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 371 | N | 32.6 | Very low | 31.7 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | trans | 64.2 | 120.3 | 163.9 | -65.9 | -29.2 | 0 | 0 | 0 | 118.6 | ||||
| 372 | R | 35.9 | Very low | 31.5 | Very low | 197 Ų | 197 | 128.1 Ų | 128.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | cis | 73.1 | 132.8 | 47.5 | -61.8 | -171 | -60.9 | 170.4 | -0.6 | 113 | ||||
| 373 | Y | 31.2 | Very low | 31.4 | Very low | 199 Ų | 199 | 128.6 Ų | 128.6 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | cis | -178 | 161.9 | -5 | -115.4 | -30.2 | 0 | 0 | 0 | 111.3 | ||||
| 374 | V | 30.8 | Very low | 31.3 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | 70.2 | 151.3 | 138 | 160.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 375 | R | 31.6 | Very low | 31.1 | Very low | 218 Ų | 218 | 132.7 Ų | 132.7 | 82% | 0.823 | 74% | 0.744 | S | S | * | * | cis | 179.1 | 155.9 | -18.1 | 175.1 | -177.8 | -83.2 | -159.9 | -4.4 | 111.7 | ||||
| 376 | A | 27.1 | Very low | 31 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 69.2 | 148.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 377 | I | 32.2 | Very low | 30.8 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | cis | 62.4 | 148.1 | 38.2 | 41.1 | 168.9 | 0 | 0 | 0 | 116.7 | ||||
| 378 | P | 45.6 | Very low | 31.3 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | cis | -110 | -137.4 | 8 | 25.9 | -0.6 | 0 | 0 | 0 | 112.3 | ||||
| 379 | S | 28.6 | Very low | 31.9 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | -164.5 | 168.8 | 5.6 | 67.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 380 | T | 27.4 | Very low | 32 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | 57.2 | 109.4 | 145.7 | 49.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 381 | C | 25.4 | Very low | 31.8 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | 59.3 | 134 | 113.3 | -56.3 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 382 | H | 28.7 | Very low | 31.5 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | 71.6 | 101.4 | 146.2 | -66.9 | -54.2 | 0 | 0 | 0 | 124.1 | ||||
| 383 | A | 25.8 | Very low | 31.3 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | 76.2 | 142.9 | 116.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 384 | R | 31 | Very low | 31.7 | Very low | 242 Ų | 242 | 132.3 Ų | 132.3 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | trans | 68.4 | 162.4 | 170 | -62.4 | 177.7 | 173.9 | -179.9 | -2.7 | 116.4 | ||||
| 385 | S | 29.7 | Very low | 31.7 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | cis | -174 | 145.1 | -38.5 | -87.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 386 | A | 28.7 | Very low | 31.5 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | 65.2 | 161.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 387 | S | 29.1 | Very low | 31.6 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | cis | -159.3 | 172.5 | -17.4 | 35.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 388 | L | 42.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -81.2 | 175.3 | 179.2 | -46.8 | 173.5 | 0 | 0 | 0 | 112.3 | V390 | L388-V390 HydrophobicContact CB-CG2 4.19Å; L388-V390 HydrophobicContact CD1-CG2 4.08Å | ||
| 389 | P | 44.5 | Very low | 31.4 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | -119.4 | 156.8 | 55.6 | 6.7 | 18.3 | 0 | 0 | 0 | 114 | |||||
| 390 | V | 31.8 | Very low | 31.4 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | cis | 78.3 | 133.6 | 43.9 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | L388 | L388-V390 HydrophobicContact CB-CG2 4.19Å; L388-V390 HydrophobicContact CD1-CG2 4.08Å | ||
| 391 | S | 28.1 | Very low | 31.4 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | cis | -112.4 | -115.2 | 12.1 | 50.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 392 | H | 25.6 | Very low | 31.5 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | cis | -155.1 | 179.7 | 12.3 | -153.8 | -86.8 | 0 | 0 | 0 | 112.1 | ||||
| 393 | F | 32.1 | Very low | 31.3 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | trans | -139.3 | 168.3 | -179.9 | -96.1 | -74 | 0 | 0 | 0 | 111.2 | ||||
| 394 | P | 39.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | -148.1 | -166.7 | 52.1 | 42.5 | -19.5 | 0 | 0 | 0 | 117.4 | |||||
| 395 | S | 30.1 | Very low | 31.2 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -94.6 | 158.4 | -163.9 | -50.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 396 | T | 27.2 | Very low | 31.1 | Very low | 129 Ų | 129 | 121.7 Ų | 121.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -169.3 | 152.7 | 169.1 | 2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 397 | T | 28.8 | Very low | 31.1 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -150 | -169.1 | -2.3 | -29.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 398 | S | 25 | Very low | 31.2 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -147 | 172.2 | 168.6 | -148.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 399 | P | 50.3 | Low | 30.6 | Very low | 107 Ų | 107 | 120 Ų | 120 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | cis | -143.4 | 177.8 | 7.5 | 44.6 | -25.8 | 0 | 0 | 0 | 118.2 | ||||
| 400 | V | 27.3 | Very low | 30 | Very low | 130 Ų | 130 | 121 Ų | 121 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | 70.5 | 113.2 | 143.8 | 162.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 401 | S | 27.7 | Very low | 29.8 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 31.3 | 135.4 | 133.6 | -41.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 402 | V | 27.6 | Very low | 29.9 | Very low | 150 Ų | 150 | 121.5 Ų | 121.5 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | -144.8 | 169 | 126 | -86.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 403 | S | 23.9 | Very low | 30.1 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -139.2 | 155.4 | -175.7 | -55.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 404 | S | 27 | Very low | 29.9 | Very low | 108 Ų | 108 | 118 Ų | 118 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 77.5 | 141.2 | 149.2 | -58.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 405 | S | 28.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | 72.4 | 159.5 | 157 | 88.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 406 | S | 28.6 | Very low | 29.7 | Very low | 110 Ų | 110 | 120.2 Ų | 120.2 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | cis | -161.3 | 154.1 | -24.2 | 44.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 407 | G | 27.4 | Very low | 30.1 | Very low | 60 Ų | 60 | 124.6 Ų | 124.6 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | 121.3 | -176 | 80.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 408 | H | 30.9 | Very low | 30.8 | Very low | 201 Ų | 201 | 123.7 Ų | 123.7 | 93% | 0.931 | 77% | 0.771 | S | S | * | * | trans | 69.9 | 147.2 | -175.4 | -54.2 | 79.9 | 0 | 0 | 0 | 115.5 | ||||
| 409 | G | 29.8 | Very low | 31.1 | Very low | 67 Ų | 67 | 123.3 Ų | 123.3 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | cis | -179.9 | 131.9 | -9.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 410 | S | 32.1 | Very low | 30.3 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | 81 | 102.8 | 62.3 | -175.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 411 | V | 28.3 | Very low | 30.5 | Very low | 140 Ų | 140 | 121.8 Ų | 121.8 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -171 | 153.7 | 159.6 | -92.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 412 | S | 30 | Very low | 30.6 | Very low | 93 Ų | 93 | 122 Ų | 122 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | cis | -166.9 | 152.1 | -35.5 | -120.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 413 | D | 29.7 | Very low | 30.7 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 37.5 | 126.7 | 147.1 | -58.5 | -73.4 | 0 | 0 | 0 | 124 | ||||
| 414 | T | 28.8 | Very low | 31 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | 179.7 | 135 | 104.8 | 28.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 415 | L | 31.8 | Very low | 31 | Very low | 152 Ų | 152 | 121.4 Ų | 121.4 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | cis | 103.6 | 139.6 | 36.2 | -165.8 | 73.6 | 0 | 0 | 0 | 112.3 | ||||
| 416 | T | 34 | Very low | 31 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | 88.5 | 113.4 | 161.2 | 2.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 417 | R | 33.8 | Very low | 32 | Very low | 221 Ų | 221 | 121.6 Ų | 121.6 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -57.6 | 145.7 | 153.3 | 174.1 | 176.8 | -178.4 | -128.6 | 0.7 | 110.3 | ||||
| 418 | P | 45.1 | Very low | 32.1 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -156.2 | 166.1 | 72.8 | 42.8 | -21.8 | 0 | 0 | 0 | 121.1 | |||||
| 419 | S | 31.5 | Very low | 32 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | 41.1 | 120 | 143.9 | -56.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 420 | S | 33.6 | Very low | 32.1 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 73.2 | 126.8 | 132 | -57.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 421 | A | 30.8 | Very low | 32.1 | Very low | 89 Ų | 89 | 120.1 Ų | 120.1 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 80 | 96 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 422 | S | 30.5 | Very low | 32.1 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 98.5 | 139.1 | 115 | 78.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 423 | I | 28.8 | Very low | 32.1 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | 89.2 | 113.4 | 148.6 | -70.5 | 159.7 | 0 | 0 | 0 | 120.9 | ||||
| 424 | C | 29.4 | Very low | 32.1 | Very low | 130 Ų | 130 | 123 Ų | 123 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | 66.6 | 155.7 | 152.7 | 83.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 425 | G | 26.9 | Very low | 32.4 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 119.4 | 82.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 426 | S | 29.1 | Very low | 32.3 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -113.1 | 177.4 | 155.6 | -47.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 427 | P | 48.7 | Very low | 32.3 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -140.5 | -159.8 | 4.8 | 40.4 | -18.5 | 0 | 0 | 0 | 114.7 | ||||
| 428 | S | 30.4 | Very low | 32.3 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 72.8 | 158 | 151.5 | -67.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 429 | D | 29.3 | Very low | 31.6 | Very low | 161 Ų | 161 | 121.1 Ų | 121.1 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | cis | -169.4 | 133.3 | -21 | 177.3 | 36.6 | 0 | 0 | 0 | 106.1 | ||||
| 430 | G | 31.2 | Very low | 31.4 | Very low | 62 Ų | 62 | 123 Ų | 123 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | 129.1 | 164.8 | 87 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 431 | G | 32.4 | Very low | 31.4 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | 82.3 | 114.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 432 | F | 28.7 | Very low | 31.9 | Very low | 194 Ų | 194 | 124.5 Ų | 124.5 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | cis | 91.3 | 125.5 | 30.9 | -138.9 | -42.8 | 0 | 0 | 0 | 113.8 | ||||
| 433 | N | 29.9 | Very low | 31.7 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 46.5 | 159.3 | 160.8 | 59.4 | -34 | 0 | 0 | 0 | 123.1 | ||||
| 434 | S | 28.8 | Very low | 31.7 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | cis | 170.8 | 130.2 | -41.7 | -87.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 435 | S | 35.3 | Very low | 31.6 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 53.7 | 175.3 | 171.1 | 59.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 436 | D | 30 | Very low | 32 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | cis | -140 | 141.3 | 0.2 | -1.3 | -85.9 | 0 | 0 | 0 | 108.7 | ||||
| 437 | E | 34.8 | Very low | 32 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | 65.4 | 88.1 | 80.5 | -163.4 | 174.5 | -149.5 | 0 | 0 | 117.1 | |||||
| 438 | Y | 33.3 | Very low | 31 | Very low | 224 Ų | 224 | 136.7 Ų | 136.7 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | -175.7 | 168.4 | 125.9 | -121.6 | -96.8 | 0 | 0 | 0 | 112 | |||||
| 439 | G | 29.3 | Very low | 31.1 | Very low | 57 Ų | 57 | 142 Ų | 142 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | trans | -152.7 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 440 | S | 27.5 | Very low | 31.1 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | trans | -163.1 | 161.5 | 172.7 | -84.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 441 | S | 34.3 | Very low | 31.1 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -89.5 | -170 | 173.7 | -139.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 442 | P | 41.8 | Very low | 30.9 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | cis | -139.2 | -170.2 | 1.3 | 43.1 | -23.4 | 0 | 0 | 0 | 116.1 | ||||
| 443 | G | 26.2 | Very low | 30.7 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 176.3 | 154.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 444 | D | 28 | Very low | 30.7 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -148.8 | 166.6 | -179.2 | -175 | 23.2 | 0 | 0 | 0 | 112.4 | ||||
| 445 | F | 27.7 | Very low | 31.3 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | trans | 114.6 | 99.2 | 154.2 | -61.4 | -62.6 | 0 | 0 | 0 | 120.8 | ||||
| 446 | R | 35.4 | Very low | 30.8 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 70% | 0.698 | 77% | 0.766 | S | S | * | * | 60.7 | 132.4 | 128.3 | -59.4 | 179.4 | -61.9 | -165.9 | -0.2 | 122 | |||||
| 447 | Y | 28.5 | Very low | 31 | Very low | 238 Ų | 238 | 144.8 Ų | 144.8 | 93% | 0.933 | 76% | 0.762 | S | S | * | * | -142.7 | -176.9 | 124.9 | -113.5 | -82.7 | 0 | 0 | 0 | 111 | |||||
| 448 | F | 28.8 | Very low | 30.8 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 74% | 0.737 | 77% | 0.767 | S | S | * | * | trans | -152.2 | 159.2 | -151.3 | -122.2 | -76.4 | 0 | 0 | 0 | 114.5 | ||||
| 449 | R | 32.8 | Very low | 30.6 | Very low | 228 Ų | 228 | 137.1 Ų | 137.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | 77.5 | 158.7 | 164.5 | -61 | -171 | -169 | -171 | 6.3 | 116.7 | ||||
| 450 | V | 29.4 | Very low | 30.6 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | cis | -154.8 | 147.7 | 4.8 | 97.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 451 | R | 29.7 | Very low | 30.6 | Very low | 222 Ų | 222 | 142.5 Ų | 142.5 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | 23.5 | 163.2 | 135.1 | -69.9 | 179.5 | -170.9 | 172.3 | -1.7 | 122.5 | ||||
| 452 | S | 27.9 | Very low | 31.6 | Very low | 84 Ų | 84 | 142.4 Ų | 142.4 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | cis | -178.5 | 172 | -16.1 | 52.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 453 | N | 25.1 | Very low | 31.9 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | 160.5 | 136.4 | 128.1 | -77.2 | -9.8 | 0 | 0 | 0 | 114.7 | |||||
| 454 | T | 29.7 | Very low | 32.1 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -89.7 | -173.1 | 161.8 | 41.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 455 | P | 41.1 | Very low | 32.3 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | cis | -155 | -175.3 | 20.1 | 49.9 | -28.6 | 0 | 0 | 0 | 119.6 | ||||
| 456 | D | 25.4 | Very low | 32.3 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | 41.4 | 153.7 | 131 | -74.7 | -46.2 | 0 | 0 | 0 | 124.2 | ||||
| 457 | S | 34.3 | Very low | 32.1 | Very low | 93 Ų | 93 | 144.6 Ų | 144.6 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | cis | -172.9 | -172 | -12.7 | -120.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 458 | L | 31 | Very low | 32.1 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | trans | 92.2 | 133.2 | 160.4 | -49.7 | 179.8 | 0 | 0 | 0 | 117.8 | ||||
| 459 | G | 27.9 | Very low | 32 | Very low | 62 Ų | 62 | 136.8 Ų | 136.8 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | cis | 172.8 | -163.1 | -5.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 460 | N | 29.2 | Very low | 31.8 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 90% | 0.898 | 74% | 0.735 | S | S | * | * | trans | 91.1 | 132.1 | 174.1 | -55.3 | -40 | 0 | 0 | 0 | 119 | ||||
| 461 | T | 28.8 | Very low | 31.7 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 73% | 0.733 | S | S | * | * | trans | -163 | -175.2 | -171.3 | 49.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 462 | P | 54.9 | Low | 31.4 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | cis | -109.6 | -141.4 | -15.3 | 44.9 | -30.9 | 0 | 0 | 0 | 107.8 | ||||
| 463 | P | 48.3 | Very low | 31.3 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | cis | -113.6 | -160.1 | -22.9 | 30.5 | -6.5 | 0 | 0 | 0 | 109.9 | ||||
| 464 | I | 30.6 | Very low | 31.5 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | cis | -128.6 | 122.3 | 7.8 | -85.5 | 178.9 | 0 | 0 | 0 | 105.6 | ||||
| 465 | R | 30.9 | Very low | 31.3 | Very low | 187 Ų | 187 | 131.7 Ų | 131.7 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | 60.6 | 125.9 | 78.5 | -70.9 | -168.9 | 95.3 | 114.5 | 8.2 | 113.6 | |||||
| 466 | E | 29.6 | Very low | 30.8 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 55% | 0.547 | 74% | 0.742 | S | S | . | * | cis | -172.4 | 174.2 | -5.4 | -135.4 | 163.2 | -153.7 | 0 | 0 | 111.7 | ||||
| 467 | E | 29.7 | Very low | 31.1 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | trans | 67.3 | 142.3 | 150.7 | -71.4 | -168.2 | -165.7 | 0 | 0 | 120.6 | ||||
| 468 | N | 29.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | cis | -152.6 | 167.5 | -18.3 | -133 | -21.8 | 0 | 0 | 0 | 112.4 | ||||
| 469 | C | 26.8 | Very low | 30.5 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | trans | -96.8 | -177.8 | -177.2 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 470 | L | 28.9 | Very low | 30.4 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | 93.2 | 114.9 | 154 | -61.9 | 148.1 | 0 | 0 | 0 | 119 | ||||
| 471 | N | 25.9 | Very low | 30.2 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | 90.5 | 141.8 | 124.8 | -83.3 | 31.3 | 0 | 0 | 0 | 123.6 | |||||
| 472 | D | 24.8 | Very low | 30.1 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | trans | 86.1 | 113.4 | 136.4 | -83 | -50.5 | 0 | 0 | 0 | 122.7 | ||||
| 473 | Y | 25.1 | Very low | 28.8 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | 90 | 170.1 | 129.4 | -124.4 | -103.5 | 0 | 0 | 0 | 121.1 | |||||
| 474 | M | 28.9 | Very low | 27.8 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | trans | -79.6 | 168.7 | -153.6 | -57.8 | -178.8 | -172.9 | 0 | 0 | 116.4 | ||||
| 475 | A | 26.6 | Very low | 27.6 | Very low | 100 Ų | 100 | 143 Ų | 143 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | 94.1 | 118.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 476 | M | 31 | Very low | 27.4 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 97% | 0.966 | 74% | 0.738 | S | S | * | * | trans | -87.6 | 122.8 | 158.1 | -69.9 | -71 | -75.2 | 0 | 0 | 108.2 | ||||
| 477 | G | 31.8 | Very low | 27.5 | Very low | 67 Ų | 67 | 139.9 Ų | 139.9 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | -165.9 | 90.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 478 | W | 24.4 | Very low | 27.4 | Very low | 246 Ų | 246 | 135.9 Ų | 135.9 | 93% | 0.932 | 75% | 0.754 | S | S | * | * | trans | 61.7 | 110.1 | 155.2 | -83.7 | -45.1 | 0 | 0 | 0 | 122.5 | ||||
| 479 | N | 26.4 | Very low | 27.3 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | 86.8 | 150.8 | 106.2 | -138 | -5 | 0 | 0 | 0 | 122.3 | |||||
| 480 | R | 26.4 | Very low | 27.4 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 75% | 0.751 | 76% | 0.764 | S | S | * | * | trans | 66.5 | 110.6 | 164.1 | -73.2 | 173.1 | 54.9 | -163.3 | -7.1 | 120.5 | ||||
| 481 | D | 25.8 | Very low | 27.3 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | 40.1 | 146.7 | 114.9 | -27.6 | -36.6 | 0 | 0 | 0 | 119.6 | |||||
| 482 | V | 27 | Very low | 27.6 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 66% | 0.655 | 78% | 0.776 | S | S | * | * | cis | -170 | 162 | 33.6 | 70.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 483 | F | 27.3 | Very low | 27.8 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | 59.6 | 138.5 | 168.3 | -60.6 | -56.3 | 0 | 0 | 0 | 119.1 | ||||
| 484 | G | 25.8 | Very low | 27.9 | Very low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | cis | 147.4 | 151.4 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 485 | T | 27.6 | Very low | 27.7 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | cis | -117 | -96.8 | -3.1 | 40.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 486 | S | 26.6 | Very low | 27.8 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | cis | -157 | 177.9 | -3.8 | 70.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 487 | V | 31.1 | Very low | 27.7 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | 58.6 | 101.2 | -178.1 | -172.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 488 | G | 27.1 | Very low | 27.7 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | 122 | 79.4 | 116.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 489 | S | 29.2 | Very low | 27.8 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 94% | 0.944 | 77% | 0.767 | S | S | * | * | trans | 77.3 | 136.7 | 140.5 | -153.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 490 | G | 27.8 | Very low | 27.8 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 116.2 | 75.6 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 491 | N | 27.8 | Very low | 27.8 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -100.6 | 155.6 | 164.1 | -73.1 | 5.8 | 0 | 0 | 0 | 112 | ||||
| 492 | N | 30.3 | Very low | 27.7 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 154.2 | 126.1 | 141.8 | -83.3 | 9.9 | 0 | 0 | 0 | 110.3 | ||||
| 493 | S | 29.4 | Very low | 27.6 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 63.5 | 133.5 | 70.4 | 77.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 494 | G | 27.1 | Very low | 27.5 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | cis | 163.2 | 162.2 | -1.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 495 | C | 26.3 | Very low | 27.6 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 54.6 | 145.9 | 177.5 | -105 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 496 | E | 27.3 | Very low | 27.9 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | cis | -153.7 | -178.3 | 35.2 | -102.2 | -64.9 | 109.7 | 0 | 0 | 110.2 | ||||
| 497 | T | 29.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | -98.5 | 161.4 | 176 | 65.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 498 | P | 31.6 | Very low | 28.5 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | -153.7 | 145.9 | 110.9 | 37.6 | -19.6 | 0 | 0 | 0 | 118.7 | |||||
| 499 | R | 27.4 | Very low | 28.4 | Very low | 214 Ų | 214 | 126.7 Ų | 126.7 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | trans | 31.9 | 138.6 | 140.6 | -112.3 | -174.7 | 169.8 | -121.5 | 1.4 | 125.6 | ||||
| 500 | D | 26.7 | Very low | 28.5 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | trans | 88.2 | 133.5 | 141.7 | -66.7 | -30.3 | 0 | 0 | 0 | 123.2 | ||||
| 501 | E | 25.2 | Very low | 28.5 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | 69.3 | 112.8 | 160.3 | -154.1 | 158.6 | 121.3 | 0 | 0 | 122.4 | ||||
| 502 | S | 24.8 | Very low | 28.3 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | trans | 70.6 | 126.7 | 149.9 | -67.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 503 | T | 24.3 | Very low | 28.2 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | 87.9 | 128.2 | 152.6 | -14.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 504 | S | 24.2 | Very low | 28 | Very low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | trans | 68.2 | 131.3 | 150.7 | 47.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 505 | T | 29 | Very low | 28.1 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | trans | 64.8 | 111 | 144.3 | 50.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 506 | T | 34.5 | Very low | 28.6 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 72% | 0.718 | S | S | * | * | 61.5 | 160.4 | 124.7 | 67.2 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 507 | E | 36.2 | Very low | 28.6 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | cis | -145.9 | 179.1 | -18 | 43.1 | -117.2 | 106.5 | 0 | 0 | 105.9 | ||||
| 508 | D | 33 | Very low | 28.8 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 56% | 0.561 | 72% | 0.723 | S | S | * | * | cis | -168.5 | 156.2 | 23.9 | -159.8 | -22.7 | 0 | 0 | 0 | 109.4 | R510 | D508-R510 PolarHBondContact OD1-N 3.06Š| ||
| 509 | E | 24.8 | Very low | 28.6 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 62% | 0.617 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -161.9 | 56.5 | 151.4 | -141.2 | -60.7 | 99.8 | 0 | 0 | 110.5 | ||
| 510 | R | 31.4 | Very low | 28.6 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 73% | 0.732 | 72% | 0.718 | S | S | * | * | S | Bend | 174.6 | 92.6 | 129.6 | -92.4 | 157.2 | -152.6 | -140.6 | -0.3 | 113.1 | D508 S512 | D508-R510 PolarHBondContact OD1-N 3.06Å; R510-S512 PolarHBondContact O-N 3.45Å | |
| 511 | F | 27.1 | Very low | 28.7 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 79% | 0.789 | 73% | 0.726 | S | S | * | * | trans | 50.2 | 68.8 | 141.2 | -63.5 | -72.3 | 0 | 0 | 0 | 117.1 | ||||
| 512 | S | 25.3 | Very low | 28.9 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 57% | 0.566 | 72% | 0.719 | S | S | * | * | -32.3 | 157.3 | 121.7 | -94.6 | 0 | 0 | 0 | 0 | 114.2 | R510 | R510-S512 PolarHBondContact O-N 3.45Š| |||
| 513 | S | 27.7 | Very low | 29.1 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | cis | -176 | 155.2 | -12.7 | -102.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 514 | S | 24.9 | Very low | 29.2 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 88% | 0.881 | 73% | 0.725 | S | S | * | * | trans | -146.2 | 86.4 | 156.3 | 63 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 515 | S | 29.2 | Very low | 29.3 | Very low | 101 Ų | 101 | 148.1 Ų | 148.1 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -103.5 | -176.5 | 153 | 67.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 516 | L | 36 | Very low | 29.3 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | cis | -169.8 | 159.7 | 18.5 | -139.8 | 175.8 | 0 | 0 | 0 | 107.4 | R518 | L516-R518 HydrophobicContact CD2-CG 4.31Å; L516-R518 VanDerWaalsContact CD2-N 3.3Å | ||
| 517 | R | 28.5 | Very low | 28.9 | Very low | 235 Ų | 235 | 147 Ų | 147 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | trans | -163.9 | 101.9 | 135.2 | -103.3 | 163.1 | -160 | -149.8 | 5.5 | 107.3 | ||||
| 518 | R | 32.8 | Very low | 28.5 | Very low | 189 Ų | 189 | 145.1 Ų | 145.1 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | 73.7 | 141.7 | 86.8 | -76.2 | -172.2 | -174.6 | -122.9 | 7.6 | 111.5 | L516 | L516-R518 HydrophobicContact CD2-CG 4.31Å; L516-R518 VanDerWaalsContact CD2-N 3.3Å | |||
| 519 | R | 28 | Very low | 28.2 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | cis | -152.5 | 154.5 | 15.5 | -151.7 | -175.3 | -69 | -161.9 | -1.3 | 111.2 | ||||
| 520 | T | 28.1 | Very low | 28.3 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -96.8 | 165.8 | 165 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 521 | H | 28 | Very low | 28.3 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -172.2 | 168.7 | 140.4 | -88.1 | -55.1 | 0 | 0 | 0 | 109.5 | ||||
| 522 | S | 29.2 | Very low | 28.3 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -132.7 | 171.3 | -168 | -52.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 523 | F | 29.3 | Very low | 28.5 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | 101.1 | 121.7 | 161.8 | -66.5 | -77.9 | 0 | 0 | 0 | 121.2 | ||||
| 524 | S | 26.1 | Very low | 28.7 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | 69.8 | 119.6 | 131.3 | 68.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 525 | R | 27 | Very low | 29 | Very low | 257 Ų | 257 | 135.1 Ų | 135.1 | 97% | 0.97 | 80% | 0.797 | S | S | * | * | trans | 70.9 | 160.6 | 141.8 | -108 | 177.1 | 176.5 | 160.6 | -1.1 | 119.3 | ||||
| 526 | A | 28.6 | Very low | 29.2 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -126.8 | 149.8 | -172 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 527 | A | 25.4 | Very low | 29.2 | Very low | 106 Ų | 106 | 133 Ų | 133 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | -153.7 | 160.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 528 | A | 27.8 | Very low | 29.7 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 93% | 0.926 | 76% | 0.762 | S | S | * | * | trans | -86.5 | 167.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 529 | G | 26.6 | Very low | 29.6 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 154.6 | 97 | 153.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 530 | V | 28.3 | Very low | 30 | Very low | 138 Ų | 138 | 118.6 Ų | 118.6 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | 26.4 | 118.6 | 141.4 | -145.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 531 | T | 30 | Very low | 30.3 | Very low | 139 Ų | 139 | 120.2 Ų | 120.2 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | -171.8 | 158.3 | 91 | 27.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 532 | G | 28.5 | Very low | 30.6 | Very low | 82 Ų | 82 | 118 Ų | 118 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -80.1 | -166.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 533 | A | 28.5 | Very low | 30.4 | Very low | 96 Ų | 96 | 119.7 Ų | 119.7 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | cis | -153.5 | 147.7 | 1.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 534 | S | 31.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 117.2 Ų | 117.2 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | 50.5 | 135.8 | 75 | -158.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 535 | G | 31.1 | Very low | 30.7 | Very low | 59 Ų | 59 | 118.5 Ų | 118.5 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | cis | 166.5 | 146.8 | -7.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 536 | V | 34.9 | Very low | 30.6 | Very low | 116 Ų | 116 | 112.8 Ų | 112.8 | 70% | 0.703 | 73% | 0.725 | S | S | * | * | 47 | 130.4 | 129 | -177.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 537 | A | 35.2 | Very low | 30.6 | Very low | 66 Ų | 66 | 115.5 Ų | 115.5 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | trans | -163.5 | 123.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | I868 N869 | A537-I868 HydrophobicContact CB-CG2 3.76Å; A537-N869 WeakPolarHBondContact CB-O 3.11Å | ||
| 538 | T | 38.9 | Very low | 30.5 | Very low | 43 Ų | 43 | 115.9 Ų | 115.9 | 26% | 0.264 | 72% | 0.722 | S | S | . | * | trans | -73.6 | -177.5 | 176.9 | 58.5 | 0 | 0 | 0 | 0 | 117.7 | E866 I868 | T538-E866 HydrophobicContact CG2-CB 4.39Å; T538-E866 HydrophobicContact CG2-CG 4.46Å; T538-I868 WeakPolarHBondContact OG1-CD1 3.47Å; T538-I868 WeakPolarHBondContact OG1-CG1 3.41Å | ||
| 539 | Y | 31.6 | Very low | 30.5 | Very low | 168 Ų | 168 | 117.7 Ų | 117.7 | 66% | 0.659 | 72% | 0.715 | S | S | * | * | -160.5 | 171.4 | 124.8 | -109.6 | -69 | 0 | 0 | 0 | 114.6 | I868 I870 | Y539-I868 HydrophobicContact CD1-CD1 4.15Å; Y539-I868 HydrophobicContact CD2-CD1 4.42Å; Y539-I868 HydrophobicContact CD2-CG2 4.45Å; Y539-I868 HydrophobicContact CE1-CD1 3.69Å; Y539-I868 HydrophobicContact CE2-CD1 4Å; Y539-I868 HydrophobicContact CE2-CG2 3.98Å; Y539-I868 HydrophobicContact CG-CD1 4.48Å; Y539-I870 HydrophobicContact CE2-CD1 3.88Å; Y539-I870 HydrophobicContact CE2-CG1 4.22Å; Y539-I870 WeakPolarHBondContact OH-CD1 3.12Å | |||
| 540 | Q | 36.7 | Very low | 30.4 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 51% | 0.509 | 72% | 0.718 | S | S | . | * | trans | -98.4 | -171.3 | -164.9 | -61 | 177.3 | -12.6 | 0 | 0 | 113.4 | Y867 | Q540-Y867 PolarHBondContact NE2-OH 3.13Š| ||
| 541 | K | 32.9 | Very low | 30.4 | Very low | 158 Ų | 158 | 123.7 Ų | 123.7 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | cis | -176 | 152.9 | 31.9 | -156.6 | -162.1 | -172.3 | -164 | 0 | 116 | ||||
| 542 | M | 34.1 | Very low | 30.3 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 62% | 0.616 | 71% | 0.706 | S | S | * | * | trans | 65.1 | 155.2 | 153.8 | -90.1 | 168.9 | 174.7 | 0 | 0 | 119.7 | ||||
| 543 | T | 26.3 | Very low | 30.3 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 84% | 0.84 | 71% | 0.709 | S | S | * | * | cis | -139.6 | 166.5 | 32.5 | -52 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 544 | Q | 30.9 | Very low | 30.2 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | trans | -141.2 | 158.6 | -162 | -65.2 | 154.9 | -97.6 | 0 | 0 | 115.6 | ||||
| 545 | T | 30.2 | Very low | 30.1 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | trans | 158 | -177.7 | 138.6 | 46.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 546 | N | 25.2 | Very low | 29.9 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | cis | -146.9 | -164.4 | 6.8 | -143.5 | -58.2 | 0 | 0 | 0 | 112 | ||||
| 547 | L | 28.6 | Very low | 29.6 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -144.3 | 167.2 | -159.3 | -67.7 | 165.9 | 0 | 0 | 0 | 116.3 | ||||
| 548 | S | 23.5 | Very low | 29.8 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | 78.2 | 156.7 | 147.6 | -162.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 549 | L | 28.3 | Very low | 29.2 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | cis | -170.3 | 167.9 | -40.6 | -166.7 | 106.1 | 0 | 0 | 0 | 108 | ||||
| 550 | D | 24.4 | Very low | 28.9 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | 88.9 | 178.2 | 157.7 | -133.6 | 71.9 | 0 | 0 | 0 | 121.6 | ||||
| 551 | E | 28.6 | Very low | 28.4 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -126 | 159.9 | -132.5 | -176.6 | 171.3 | 114.4 | 0 | 0 | 116 | ||||
| 552 | G | 27.5 | Very low | 28.1 | Very low | 55 Ų | 55 | 130.7 Ų | 130.7 | 57% | 0.567 | 77% | 0.771 | S | S | * | * | trans | 117.5 | 105.5 | 138.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 553 | S | 27.2 | Very low | 27.8 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | 69.5 | 152.8 | 139.6 | 74.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 554 | D | 26.8 | Very low | 27.9 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | cis | -165.3 | 176.8 | -17 | -178.1 | 29.1 | 0 | 0 | 0 | 109.6 | ||||
| 555 | V | 29 | Very low | 27.8 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | 62.5 | 136 | 167.1 | -105.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 556 | V | 26.4 | Very low | 27.7 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | cis | -146.2 | 141.3 | 31.9 | 174.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 557 | L | 29 | Very low | 27.8 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -104.7 | 149.3 | 157.6 | -66 | 172.1 | 0 | 0 | 0 | 109.8 | ||||
| 558 | P | 39.8 | Very low | 28.4 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | -150.5 | 173.2 | 106.6 | 39.4 | -23.3 | 0 | 0 | 0 | 112.7 | |||||
| 559 | F | 26.6 | Very low | 28.5 | Very low | 209 Ų | 209 | 124.6 Ų | 124.6 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | cis | -161.3 | 159.9 | -14.2 | -128.5 | -124.6 | 0 | 0 | 0 | 104.7 | ||||
| 560 | G | 26 | Very low | 28.4 | Very low | 58 Ų | 58 | 121.1 Ų | 121.1 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | cis | -178.9 | 141 | -8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 561 | S | 25.7 | Very low | 28.4 | Very low | 127 Ų | 127 | 118.2 Ų | 118.2 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | trans | 61.5 | 117.2 | 133.6 | -54.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 562 | G | 25.3 | Very low | 28.2 | Very low | 73 Ų | 73 | 111.4 Ų | 111.4 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | trans | -163 | 23.9 | -178 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 563 | L | 28.1 | Very low | 28.1 | Very low | 161 Ų | 161 | 112.7 Ų | 112.7 | 84% | 0.843 | 71% | 0.707 | S | S | * | * | trans | 67.3 | 133 | 163.7 | -68.5 | 170.6 | 0 | 0 | 0 | 122.1 | ||||
| 564 | L | 28.7 | Very low | 28.2 | Very low | 132 Ų | 132 | 107.7 Ų | 107.7 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | trans | 76 | 104.6 | 142.3 | -67.8 | 168 | 0 | 0 | 0 | 123 | ||||
| 565 | R | 28.3 | Very low | 28.3 | Very low | 230 Ų | 230 | 107 Ų | 107 | 87% | 0.868 | 67% | 0.668 | S | S | * | * | 65.7 | 92.3 | 115.3 | -167.6 | -167.3 | -68.2 | -133.6 | -2.2 | 119.4 | |||||
| 566 | G | 28.5 | Very low | 28.4 | Very low | 79 Ų | 79 | 109.2 Ų | 109.2 | 81% | 0.814 | 66% | 0.663 | S | S | * | * | 92.1 | 137.1 | 125.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 567 | G | 28.5 | Very low | 28.4 | Very low | 76 Ų | 76 | 105.2 Ų | 105.2 | 78% | 0.784 | 64% | 0.641 | S | S | * | * | trans | -80.7 | -164.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 568 | P | 39.3 | Very low | 28.3 | Very low | 65 Ų | 65 | 101.7 Ų | 101.7 | 42% | 0.422 | 62% | 0.623 | S | S | . | * | cis | -132.1 | 157 | 17.2 | 22.8 | 1.4 | 0 | 0 | 0 | 116.9 | K19 H20 | K19-P568 WeakPolarHBondContact CE-O 3.45Å; K19-P568 HydrophobicContact CG-CB 4.21Å; K19-P568 HydrophobicContact CG-CG 4.17Å; K19-P568 PolarHBondContact NZ-O 3.14Å; H20-P568 HydrophobicContact CB-CG 4.13Å | ||
| 569 | S | 26.9 | Very low | 27.7 | Very low | 79 Ų | 79 | 106.5 Ų | 106.5 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | trans | 46.1 | 162.8 | 145.5 | -26.3 | 0 | 0 | 0 | 0 | 123.1 | K19 | K19-S569 VanDerWaalsContact CE-O 3.29Å; K19-S569 WeakPolarHBondContact CE-O 3.37Å; K19-S569 PolarHBondContact NZ-O 3.48Å | ||
| 570 | S | 25.5 | Very low | 27.7 | Very low | 77 Ų | 77 | 101.5 Ų | 101.5 | 54% | 0.538 | 62% | 0.619 | S | S | . | * | trans | 51 | 115.6 | 143 | -45.8 | 0 | 0 | 0 | 0 | 120 | K19 | K19-S570 PolarHBondContact NZ-O 3.33Š| ||
| 571 | S | 24.5 | Very low | 27.7 | Very low | 84 Ų | 84 | 103.3 Ų | 103.3 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | 64.6 | 144.2 | 129.2 | -54.2 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 572 | S | 25.5 | Very low | 27.7 | Very low | 44 Ų | 44 | 103.6 Ų | 103.6 | 31% | 0.308 | 62% | 0.623 | S | S | . | * | cis | 178.1 | 155.4 | -11.1 | 158.5 | 0 | 0 | 0 | 0 | 105.6 | V170 L185 | V170-S572 WeakPolarHBondContact CB-OG 3.25Å; L185-S572 WeakPolarHBondContact CD2-O 3.24Å | ||
| 573 | S | 25.3 | Very low | 27.9 | Very low | 82 Ų | 82 | 105.8 Ų | 105.8 | 57% | 0.573 | 63% | 0.627 | S | S | * | * | trans | -178.5 | 113.8 | 148.8 | 29.6 | 0 | 0 | 0 | 0 | 116.9 | N186 | N186-S573 WeakPolarHBondContact ND2-CB 3.31Å; N186-S573 PolarHBondContact ND2-OG 3.11Å; N186-S573 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 574 | S | 28.1 | Very low | 27.7 | Very low | 23 Ų | 23 | 106.1 Ų | 106.1 | 16% | 0.161 | 62% | 0.624 | C | S | . | * | -17 | 150.1 | 125.7 | 169.1 | 0 | 0 | 0 | 0 | 120.5 | K184 L185 | K184-S574 WeakPolarHBondContact CD-OG 3.41Å; K184-S574 VanDerWaalsContact CE-CB 3.45Å; K184-S574 WeakPolarHBondContact CE-OG 3.35Å; K184-S574 VanDerWaalsContact CG-OG 3.26Å; K184-S574 WeakPolarHBondContact CG-OG 3.39Å; K184-S574 PolarHBondContact NZ-OG 3.09Å; L185-S574 WeakPolarHBondContact O-CB 3.33Å; L185-S574 PolarHBondContact O-OG 3.26Å | |||
| 575 | L | 30.2 | Very low | 27.9 | Very low | 127 Ų | 127 | 106.6 Ų | 106.6 | 67% | 0.665 | 62% | 0.623 | S | S | * | * | trans | -138.1 | 174.3 | 143.6 | -66.3 | 177.1 | 0 | 0 | 0 | 108.2 | K184 | K184-L575 PolarHBondContact NZ-O 3.2Š| ||
| 576 | R | 30.7 | Very low | 27.9 | Very low | 167 Ų | 167 | 100.9 Ų | 100.9 | 63% | 0.63 | 62% | 0.618 | S | S | * | * | cis | -128.4 | -134.2 | -23.1 | -148.2 | -155.9 | -165.6 | -96.2 | -2.9 | 109.6 | D578 | R576-D578 IonicContact CZ-OD2 3.8Å; R576-D578 IonicContact NE-OD2 2.74Å; R576-D578 VanDerWaalsContact NH1-CG 3.29Å; R576-D578 IonicContact NH1-OD1 3.12Å; R576-D578 PolarHBondContact NH1-OD1 3.08Å; R576-D578 VanDerWaalsContact NH1-OD1 3.14Å; R576-D578 IonicContact NH1-OD2 3.74Å; R576-D578 PolarHBondContact NH1-OD2 3.49Å | ||
| 577 | S | 26.4 | Very low | 27.9 | Very low | 38 Ų | 38 | 103.7 Ų | 103.7 | 27% | 0.266 | 61% | 0.61 | S | S | . | * | trans | -161 | -161.3 | -155.9 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 578 | D | 26 | Very low | 28 | Very low | 95 Ų | 95 | 108.4 Ų | 108.4 | 51% | 0.508 | 61% | 0.611 | S | S | . | * | trans | 80 | 150.2 | 161.7 | -30.4 | -51.3 | 0 | 0 | 0 | 116.4 | R576 | R576-D578 IonicContact CZ-OD2 3.8Å; R576-D578 IonicContact NE-OD2 2.74Å; R576-D578 VanDerWaalsContact NH1-CG 3.29Å; R576-D578 IonicContact NH1-OD1 3.12Å; R576-D578 PolarHBondContact NH1-OD1 3.08Å; R576-D578 VanDerWaalsContact NH1-OD1 3.14Å; R576-D578 IonicContact NH1-OD2 3.74Å; R576-D578 PolarHBondContact NH1-OD2 3.49Å | ||
| 579 | Y | 28.1 | Very low | 27.3 | Very low | 211 Ų | 211 | 110.6 Ų | 110.6 | 83% | 0.827 | 63% | 0.628 | S | S | * | * | cis | -157.8 | 171.5 | -0.3 | -154.3 | -122.3 | 0 | 0 | 0 | 113.4 | ||||
| 580 | S | 25.9 | Very low | 27.3 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | trans | 81.3 | 142.7 | 148.9 | -124 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 581 | S | 26.1 | Very low | 27.8 | Very low | 96 Ų | 96 | 119.4 Ų | 119.4 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | trans | -84.3 | 163.4 | 169.5 | 173.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 582 | C | 25.9 | Very low | 27.8 | Very low | 132 Ų | 132 | 120.3 Ų | 120.3 | 89% | 0.892 | 66% | 0.657 | S | S | * | * | trans | -156.1 | 137.1 | 146.5 | -90.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 583 | S | 29 | Very low | 27.8 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 84% | 0.839 | 67% | 0.674 | S | S | * | * | trans | -153.3 | 142.8 | 159.5 | 54.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 584 | E | 24.8 | Very low | 27.8 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | -152.1 | 133.9 | -173.6 | -171.7 | 176.9 | 174.9 | 0 | 0 | 113 | ||||
| 585 | H | 32.3 | Very low | 27.7 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | trans | 59.3 | 155.7 | 168.2 | -83.8 | 86.7 | 0 | 0 | 0 | 118.1 | ||||
| 586 | S | 27.4 | Very low | 27.4 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | cis | -132.1 | 170.9 | 15.3 | 62.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 587 | Q | 30.1 | Very low | 27.2 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | trans | -66.5 | -178.2 | 173.2 | -49 | -64.6 | -23.2 | 0 | 0 | 111.4 | ||||
| 588 | Q | 29.1 | Very low | 27.2 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | cis | -165.6 | 148.1 | 21.1 | -140.9 | 151.2 | -8.3 | 0 | 0 | 105.9 | ||||
| 589 | S | 25 | Very low | 27.2 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | -179.2 | 172 | 64.3 | -75.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 590 | R | 26.3 | Very low | 27.2 | Very low | 240 Ų | 240 | 131.3 Ų | 131.3 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | trans | -142.1 | -176.7 | 178.1 | -119.6 | -175.5 | -174.1 | -171.4 | 3.9 | 107.9 | ||||
| 591 | P | 37.3 | Very low | 27.3 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | cis | -138.9 | -176.6 | -7 | 37.3 | -17.3 | 0 | 0 | 0 | 116.4 | ||||
| 592 | S | 24 | Very low | 27.3 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 73.4 | 157.8 | 144 | 70.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 593 | T | 26.3 | Very low | 27.3 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | cis | -146.3 | 149.6 | 28 | 56 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 594 | L | 25.5 | Very low | 28 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 85% | 0.848 | 71% | 0.71 | S | S | * | * | trans | 64.8 | 152.1 | 149.6 | -64 | 160.2 | 0 | 0 | 0 | 118.4 | ||||
| 595 | S | 25.7 | Very low | 28.7 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 66% | 0.664 | 69% | 0.685 | S | S | * | * | cis | -171 | 154.3 | -16.9 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 596 | R | 23.3 | Very low | 28.4 | Very low | 227 Ų | 227 | 123.1 Ų | 123.1 | 86% | 0.857 | 69% | 0.693 | S | S | * | * | trans | 36.4 | 120.3 | 136 | -179.2 | -178.4 | -179.4 | -168.5 | 3.1 | 118.6 | ||||
| 597 | S | 27.3 | Very low | 28.3 | Very low | 80 Ų | 80 | 122.3 Ų | 122.3 | 56% | 0.559 | 69% | 0.687 | S | S | * | * | -175.2 | 156.8 | 63.7 | -122.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 598 | E | 26.1 | Very low | 28.1 | Very low | 165 Ų | 165 | 121.1 Ų | 121.1 | 77% | 0.771 | 69% | 0.694 | S | S | * | * | trans | 27.5 | 135.4 | 140.4 | -67.1 | 161.1 | 112.7 | 0 | 0 | 126 | ||||
| 599 | A | 26.3 | Very low | 27.9 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 87% | 0.868 | 69% | 0.693 | S | S | * | * | trans | 84.3 | 153 | 131.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 600 | G | 27.9 | Very low | 28.1 | Very low | 74 Ų | 74 | 117.3 Ų | 117.3 | 76% | 0.763 | 69% | 0.687 | S | S | * | * | trans | 90.8 | 108.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 601 | A | 27.9 | Very low | 28.2 | Very low | 92 Ų | 92 | 111.2 Ų | 111.2 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | cis | 84.2 | 142.1 | 38.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 602 | E | 25.1 | Very low | 28 | Very low | 128 Ų | 128 | 110.7 Ų | 110.7 | 60% | 0.598 | 69% | 0.685 | S | S | * | * | trans | 50.7 | 67.9 | 166.2 | -50.2 | -51.2 | 99.9 | 0 | 0 | 118.5 | ||||
| 603 | R | 26.6 | Very low | 28.4 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 43% | 0.426 | 69% | 0.688 | S | S | . | * | 60.8 | 0 | 55.5 | -175.8 | -91.9 | -66.5 | 101.6 | -0.4 | 113.6 | Y1137 | R603-Y1137 VanDerWaalsContact CA-CD1 3.48Å; R603-Y1137 VanDerWaalsContact CA-OH 3.27Å; R603-Y1137 WeakPolarHBondContact CA-OH 3.38Å; R603-Y1137 HydrophobicContact CB-CD1 3.99Å; R603-Y1137 HydrophobicContact CB-CE1 3.61Å; R603-Y1137 HydrophobicContact CG-CD1 3.63Å; R603-Y1137 HydrophobicContact CG-CE1 3.44Å; R603-Y1137 VanDerWaalsContact CG-CE1 3.44Å; R603-Y1137 WeakPolarHBondContact O-CB 3.47Å; R603-Y1137 WeakPolarHBondContact O-CD1 3.48Å; R603-Y1137 WeakPolarHBondContact O-CD2 3.23Å; R603-Y1137 VanDerWaalsContact O-CE1 3.28Å; R603-Y1137 WeakPolarHBondContact O-CE1 3.27Å; R603-Y1137 WeakPolarHBondContact O-CE2 2.62Å | |||
| 604 | P | 44.7 | Very low | 28.5 | Very low | 59 Ų | 59 | 117.7 Ų | 117.7 | 38% | 0.383 | 70% | 0.696 | S | S | . | * | 0 | -111 | 0 | 42.1 | -3.3 | 0 | 0 | 0 | 116.6 | L1135 Y1137 | P604-L1135 WeakPolarHBondContact O-CB 3.12Å; P604-L1135 WeakPolarHBondContact O-CD1 3.13Å; P604-Y1137 WeakPolarHBondContact CA-OH 3.39Å; P604-Y1137 HydrophobicContact CB-CD1 4.02Å; P604-Y1137 HydrophobicContact CB-CE1 3.3Å; P604-Y1137 HydrophobicContact CB-CE2 4.02Å; P604-Y1137 HydrophobicContact CG-CD1 3.34Å; P604-Y1137 HydrophobicContact CG-CE1 3.29Å; P604-Y1137 HydrophobicContact CG-CG 4.01Å; P604-Y1137 WeakPolarHBondContact O-CD2 3.28Å; P604-Y1137 WeakPolarHBondContact O-CE2 3.19Å | |||
| 605 | P | 38.4 | Very low | 28.8 | Very low | 43 Ų | 43 | 117 Ų | 117 | 28% | 0.279 | 69% | 0.693 | S | S | . | * | cis | -126.7 | 143.5 | -29.9 | 26.6 | -4.5 | 0 | 0 | 0 | 117.3 | L1135 N1136 | P605-L1135 WeakPolarHBondContact O-CD2 3.32Å; P605-N1136 WeakPolarHBondContact CD-O 3.47Å; P605-N1136 WeakPolarHBondContact CG-O 3.39Å | ||
| 606 | L | 25.3 | Very low | 29.2 | Very low | 155 Ų | 155 | 118.2 Ų | 118.2 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | 69.2 | 161 | 149 | -58.1 | 169.5 | 0 | 0 | 0 | 118.6 | ||||
| 607 | S | 25.3 | Very low | 29.7 | Very low | 92 Ų | 92 | 110.8 Ų | 110.8 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | cis | -166 | 167 | -0.7 | -126.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 608 | S | 25.7 | Very low | 30 | Very low | 114 Ų | 114 | 117.3 Ų | 117.3 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | 62.2 | 171.4 | 156.3 | -62.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 609 | S | 24.9 | Very low | 31 | Very low | 112 Ų | 112 | 117 Ų | 117 | 78% | 0.783 | 71% | 0.71 | S | S | * | * | cis | -150.5 | 176.1 | -24.9 | 43.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 610 | S | 29.3 | Very low | 31.9 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | cis | -178.1 | 123.5 | 38.7 | 45.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 611 | S | 29.7 | Very low | 32.1 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | 67.2 | 122.1 | 83.4 | 79.2 | 0 | 0 | 0 | 0 | 118 | |||||
| 612 | A | 33.3 | Very low | 32.4 | Very low | 88 Ų | 88 | 126.1 Ų | 126.1 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | 99.2 | 146.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 613 | K | 32.8 | Very low | 32.6 | Very low | 183 Ų | 183 | 126.6 Ų | 126.6 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | trans | 78.6 | 116.8 | 166 | -53.4 | -155 | 175.7 | -167.5 | 0 | 115.9 | ||||
| 614 | E | 28.3 | Very low | 32.8 | Very low | 177 Ų | 177 | 124.1 Ų | 124.1 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | cis | 63.4 | 91.2 | 38.5 | -46.8 | 177.1 | 139 | 0 | 0 | 111 | ||||
| 615 | D | 30.5 | Very low | 32.1 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | 89.4 | 109.8 | 89.8 | -176.4 | 35.1 | 0 | 0 | 0 | 112.5 | |||||
| 616 | S | 35.2 | Very low | 31.6 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -165.9 | 118.4 | 158.5 | -59.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 617 | G | 33.6 | Very low | 31.9 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | -80.4 | 174.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 618 | Y | 33.2 | Very low | 31.8 | Very low | 216 Ų | 216 | 130.1 Ų | 130.1 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | 89 | 78.7 | 141.3 | -140 | -89 | 0 | 0 | 0 | 120.1 | ||||
| 619 | M | 47.6 | Very low | 32.3 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | 68.2 | 150.2 | 141.7 | -65 | -65.9 | 141.5 | 0 | 0 | 117.4 | ||||
| 620 | P | 45.2 | Very low | 33.2 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | -150.2 | -167.2 | 38.9 | 36.8 | -11.7 | 0 | 0 | 0 | 117.6 | ||||
| 621 | M | 31.1 | Very low | 33.1 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | 83.3 | 147 | 161.9 | -55.1 | -55.9 | -84.1 | 0 | 0 | 119.1 | ||||
| 622 | M | 34.3 | Very low | 33.2 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -100.4 | 171.7 | -172 | -44.6 | -176.7 | -59.3 | 0 | 0 | 111.7 | ||||
| 623 | C | 29.4 | Very low | 33.4 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -121.1 | 122.8 | 143.3 | -145.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 624 | G | 31.6 | Very low | 34.1 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | -110.4 | 179 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 625 | V | 29.7 | Very low | 35.5 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -99.5 | 137.1 | 178.4 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 626 | A | 27.9 | Very low | 35.6 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | trans | 67.2 | 153.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 627 | T | 30.5 | Very low | 35.4 | Very low | 140 Ų | 140 | 135 Ų | 135 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | cis | -166 | 149.5 | -25.5 | 27.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 628 | A | 23.6 | Very low | 35.9 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -153.3 | 122.2 | 159 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 629 | S | 37.3 | Very low | 36.3 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -159.5 | 133.1 | 163.5 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 630 | P | 42.6 | Very low | 35.6 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -145.2 | 140.6 | 152.2 | 35.6 | -20.1 | 0 | 0 | 0 | 114.4 | ||||
| 631 | R | 29 | Very low | 35.2 | Very low | 221 Ų | 221 | 138.5 Ų | 138.5 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -163.3 | 147.3 | 139.5 | -98.6 | -77.2 | 169.7 | 156.3 | -2.2 | 110.1 | ||||
| 632 | D | 30.7 | Very low | 35.3 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 62% | 0.62 | 78% | 0.784 | S | S | * | * | trans | 67.1 | 70.7 | 155.3 | -50.6 | -13.8 | 0 | 0 | 0 | 120.6 | ||||
| 633 | T | 38.3 | Very low | 35.1 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | 36.1 | 158.7 | 109.9 | 62.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 634 | P | 47.8 | Very low | 35.1 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -140.6 | -160.7 | -38.6 | 44.6 | -26.1 | 0 | 0 | 0 | 110.5 | ||||
| 635 | P | 56 | Low | 34.9 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | cis | -133.1 | -179.4 | -4 | 44.8 | -28.4 | 0 | 0 | 0 | 117 | ||||
| 636 | D | 33.6 | Very low | 34.6 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | 72.6 | 140.8 | 155 | -58.4 | -27.5 | 0 | 0 | 0 | 121.9 | ||||
| 637 | Y | 30.7 | Very low | 34.6 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | cis | -159.7 | 132.5 | -32.7 | -172.1 | -102.8 | 0 | 0 | 0 | 107.3 | ||||
| 638 | M | 44.3 | Very low | 34.4 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | trans | -83.8 | 150.2 | 177.7 | -71.8 | -74.1 | 103.2 | 0 | 0 | 111.6 | ||||
| 639 | P | 40.9 | Very low | 34.7 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | -141.4 | 143.6 | 127.3 | 35 | -21.4 | 0 | 0 | 0 | 116.2 | |||||
| 640 | M | 33.5 | Very low | 34.2 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | trans | 14.8 | 140.8 | 141.4 | -67.4 | -61.4 | -63.2 | 0 | 0 | 121.2 | P642 | M640-P642 WeakPolarHBondContact O-CD 3.19Š| ||
| 641 | Q | 37 | Very low | 33.5 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 135.8 | 159.9 | -66.8 | -173.1 | -48.7 | 0 | 0 | 112.6 | ||
| 642 | P | 33.3 | Very low | 33.6 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 169.8 | 146.1 | 37.2 | -30.2 | 0 | 0 | 0 | 111.1 | M640 | M640-P642 WeakPolarHBondContact O-CD 3.19Š|
| 643 | S | 30.2 | Very low | 34.3 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 136.2 | -178.8 | 45.9 | 0 | 0 | 0 | 0 | 114 | ||
| 644 | S | 28.3 | Very low | 33.8 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 73.7 | 152.1 | 149.6 | -52.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 645 | Y | 26.9 | Very low | 32.7 | Very low | 225 Ų | 225 | 143.7 Ų | 143.7 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | 80.9 | 144.8 | 157.8 | -81.3 | -75 | 0 | 0 | 0 | 122.8 | ||||
| 646 | S | 25.3 | Very low | 31.3 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | 73.4 | 120.6 | 147.7 | 49.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 647 | Y | 25.9 | Very low | 31 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | 53.4 | 123.2 | 138.8 | -72.6 | -104.8 | 0 | 0 | 0 | 120.1 | ||||
| 648 | Q | 26.3 | Very low | 31.6 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | 93.8 | 146.4 | 55 | -151.5 | -160.9 | 16 | 0 | 0 | 112.4 | |||||
| 649 | I | 31.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 59% | 0.585 | 76% | 0.764 | S | S | * | * | trans | 71.7 | 136 | 166.1 | -74.6 | 155.2 | 0 | 0 | 0 | 113.9 | ||||
| 650 | S | 26.7 | Very low | 30.2 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | cis | -136.7 | 147.4 | 35 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 651 | H | 26.7 | Very low | 29.9 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | 82.1 | 136 | 50.8 | -71.7 | -58.5 | 0 | 0 | 0 | 116.2 | |||||
| 652 | S | 32.5 | Very low | 29.6 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -84.9 | 173.5 | -170.4 | 56.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 653 | P | 45.6 | Very low | 29.6 | Very low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | -150 | 144.6 | 109.9 | 37.7 | -21.2 | 0 | 0 | 0 | 118.6 | |||||
| 654 | Q | 27.8 | Very low | 29.8 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 46.3 | 140.3 | 130.1 | -70.2 | -177.2 | -25.2 | 0 | 0 | 126.2 | ||||
| 655 | F | 24 | Very low | 30 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 77% | 0.768 | 77% | 0.766 | S | S | * | * | trans | 42.9 | 125.1 | 143 | -68.9 | -66.8 | 0 | 0 | 0 | 122.4 | ||||
| 656 | H | 26.9 | Very low | 30.1 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | -176.9 | 161 | 106.3 | -109 | -85.7 | 0 | 0 | 0 | 113.9 | |||||
| 657 | S | 27 | Very low | 30.4 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -143.3 | 154.7 | 161.3 | -53.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 658 | P | 43.2 | Very low | 30.7 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | -150.7 | -164.6 | 83.4 | 41.3 | -21.8 | 0 | 0 | 0 | 114.1 | |||||
| 659 | A | 27.2 | Very low | 31.5 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -129.2 | 168.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 660 | L | 28.6 | Very low | 31.5 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 95% | 0.948 | 76% | 0.761 | S | S | * | * | trans | -121.9 | 160.3 | 165.4 | -93.4 | 166.6 | 0 | 0 | 0 | 110.1 | ||||
| 661 | G | 27.8 | Very low | 31.9 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | -80.8 | -171.7 | -163.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 662 | T | 31.3 | Very low | 32.1 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | cis | -153.3 | 147.1 | 19.9 | 51 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 663 | R | 31.9 | Very low | 32.2 | Very low | 242 Ų | 242 | 135.9 Ų | 135.9 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | 61.7 | 140.6 | 150.1 | -76.8 | -177.3 | 168.7 | -159.8 | -4.9 | 120 | ||||
| 664 | S | 34.6 | Very low | 31.7 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -163.5 | 158.1 | -8.4 | -164.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 665 | A | 31.7 | Very low | 32.5 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | trans | 75.6 | 149.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 666 | H | 30.8 | Very low | 33.7 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | cis | -147.9 | -102 | -26.5 | -108.7 | -53 | 0 | 0 | 0 | 114.3 | ||||
| 667 | H | 30.6 | Very low | 34.8 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -151.2 | 134.2 | -148.3 | -73.3 | -37 | 0 | 0 | 0 | 118.1 | ||||
| 668 | H | 32.9 | Very low | 35.5 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 62% | 0.616 | 76% | 0.763 | S | S | * | * | 49.1 | 166.5 | 108.3 | -102.2 | 23.9 | 0 | 0 | 0 | 122.2 | Q670 | H668-Q670 PolarHBondContact CD2-OE1 3.13Å; H668-Q670 VanDerWaalsContact CD2-OE1 3.32Å; H668-Q670 PolarHBondContact NE2-OE1 3.13Å | |||
| 669 | P | 42.5 | Very low | 35.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -107.4 | 178.5 | 9.9 | 41.5 | -33.1 | 0 | 0 | 0 | 114.2 | ||||
| 670 | Q | 31.9 | Very low | 35.7 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | 93 | 157.5 | 17.6 | -131 | 176.9 | 22.7 | 0 | 0 | 117.8 | H668 | H668-Q670 PolarHBondContact CD2-OE1 3.13Å; H668-Q670 VanDerWaalsContact CD2-OE1 3.32Å; H668-Q670 PolarHBondContact NE2-OE1 3.13Å | ||
| 671 | S | 35.2 | Very low | 36.4 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -141.5 | 157.3 | -143.9 | 56.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 672 | S | 30.8 | Very low | 37.2 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -179.6 | 157.1 | 145.8 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 673 | T | 34.4 | Very low | 37.7 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | trans | -134.6 | 164.9 | 152.2 | 33.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 674 | D | 35.1 | Very low | 37.7 | Very low | 133 Ų | 133 | 132 Ų | 132 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | -82.8 | 165.4 | -143.5 | -159.9 | 17 | 0 | 0 | 0 | 118.1 | H676 | D674-H676 PolarHBondContact O-N 2.89Š| ||
| 675 | S | 44 | Very low | 37.5 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 18.6 | -164.9 | -43.2 | 0 | 0 | 0 | 0 | 117.2 | ||
| 676 | H | 50 | Low | 37.5 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 63% | 0.634 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 6.1 | -172.7 | -74.7 | -2.8 | 0 | 0 | 0 | 115.4 | D674 Y678 | D674-H676 PolarHBondContact O-N 2.89Å; H676-Y678 HydrophobicContact CB-CE1 3.73Å; H676-Y678 WeakPolarHBondContact O-CD1 3.28Å; H676-Y678 WeakPolarHBondContact O-CE1 2.7Å; H676-Y678 PolarHBondContact O-N 2.72Å |
| 677 | G | 50.3 | Low | 37.5 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | 74.2 | 32 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 678 | Y | 40.3 | Very low | 37.5 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 71% | 0.71 | 79% | 0.791 | S | S | * | * | trans | -126.9 | 135.3 | 170.4 | 34.5 | -100.6 | 0 | 0 | 0 | 112.2 | H676 | H676-Y678 HydrophobicContact CB-CE1 3.73Å; H676-Y678 WeakPolarHBondContact O-CD1 3.28Å; H676-Y678 WeakPolarHBondContact O-CE1 2.7Å; H676-Y678 PolarHBondContact O-N 2.72Å | ||
| 679 | M | 36.5 | Very low | 37.4 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 86% | 0.862 | 80% | 0.803 | S | S | * | * | trans | -118.7 | 126.8 | 178 | 174.2 | 177.8 | 63.8 | 0 | 0 | 108.2 | ||||
| 680 | M | 39.1 | Very low | 37.2 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -131.2 | 157.9 | -178.4 | -69.2 | -65.7 | -76.7 | 0 | 0 | 110.8 | ||||
| 681 | M | 43.6 | Very low | 36.9 | Very low | 158 Ų | 158 | 127.6 Ų | 127.6 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | -127.8 | 165.6 | -165.8 | -74.4 | -87.9 | -74.4 | 0 | 0 | 112.3 | ||||
| 682 | L | 43.1 | Very low | 37.6 | Very low | 153 Ų | 153 | 128 Ų | 128 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | trans | 76.5 | 164.7 | 167.5 | -43.9 | -179.7 | 0 | 0 | 0 | 115.8 | ||||
| 683 | P | 42.8 | Very low | 37.5 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | -129.8 | 148.9 | -56.8 | 36.1 | -23.1 | 0 | 0 | 0 | 112.7 | |||||
| 684 | G | 31.1 | Very low | 37.3 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -74.5 | 138.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 685 | S | 30.1 | Very low | 36.9 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -110.5 | 156.9 | 168.4 | 60 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 686 | S | 32.2 | Very low | 36.3 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -136.8 | 113.6 | 177.1 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 687 | G | 30.2 | Very low | 35.5 | Very low | 79 Ų | 79 | 130.9 Ų | 130.9 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | -120 | 167.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 688 | T | 31.9 | Very low | 34.6 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -91.4 | 146.5 | -169.1 | 44.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 689 | S | 29.5 | Very low | 34.1 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -178.6 | 174.5 | 157.6 | -88.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 690 | P | 39.7 | Very low | 34.6 | Very low | 108 Ų | 108 | 124 Ų | 124 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | -127.7 | 176.8 | -137.1 | 44.6 | -32.8 | 0 | 0 | 0 | 118.4 | ||||
| 691 | S | 25.8 | Very low | 34 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 71% | 0.713 | 82% | 0.823 | S | S | * | * | trans | 27.6 | 161.5 | 140.8 | 68.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 692 | P | 48.9 | Very low | 33.4 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | cis | -139.4 | -178.2 | -36.4 | 40 | -23.5 | 0 | 0 | 0 | 113.1 | ||||
| 693 | L | 29.4 | Very low | 32.8 | Very low | 180 Ų | 180 | 114.4 Ų | 114.4 | 94% | 0.942 | 83% | 0.83 | S | S | * | * | trans | -175.9 | 168.3 | 136.7 | -104.2 | 170.6 | 0 | 0 | 0 | 111.9 | ||||
| 694 | Q | 30.6 | Very low | 32.2 | Very low | 180 Ų | 180 | 112 Ų | 112 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | trans | -139.9 | 145.7 | -167.6 | -174 | -177 | 28.9 | 0 | 0 | 112.1 | ||||
| 695 | A | 26.8 | Very low | 32.1 | Very low | 102 Ų | 102 | 115.1 Ų | 115.1 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -151.5 | 147.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 696 | S | 30.6 | Very low | 32.1 | Very low | 116 Ų | 116 | 113.1 Ų | 113.1 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 161.5 | -172.1 | -53.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 697 | S | 32.7 | Very low | 31.9 | Very low | 123 Ų | 123 | 110.5 Ų | 110.5 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 154.5 | 163.8 | 44.8 | 0 | 0 | 0 | 0 | 112 | ||
| 698 | G | 31.6 | Very low | 31.9 | Very low | 78 Ų | 78 | 111.8 Ų | 111.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 163.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 699 | G | 30.2 | Very low | 31.9 | Very low | 76 Ų | 76 | 112.2 Ų | 112.2 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -90.8 | -144.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 700 | P | 46.2 | Very low | 31.8 | Very low | 139 Ų | 139 | 111.6 Ų | 111.6 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | cis | -111.5 | -174.8 | -5.7 | 40 | -27.8 | 0 | 0 | 0 | 112.5 | ||||
| 701 | G | 27.7 | Very low | 31.2 | Very low | 77 Ų | 77 | 115.7 Ų | 115.7 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -126.6 | -179.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 702 | A | 30.9 | Very low | 31.6 | Very low | 99 Ų | 99 | 115.1 Ų | 115.1 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -159.5 | 144.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 703 | A | 30.4 | Very low | 30.8 | Very low | 109 Ų | 109 | 117.2 Ų | 117.2 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | trans | 51.6 | 138.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 704 | G | 28.9 | Very low | 31.2 | Very low | 70 Ų | 70 | 116 Ų | 116 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 129.3 | 80.8 | 132.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 705 | V | 30.7 | Very low | 32 | Very low | 153 Ų | 153 | 112.6 Ų | 112.6 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | trans | 41.1 | 110 | 140.1 | -171.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 706 | G | 28.5 | Very low | 32 | Very low | 82 Ų | 82 | 114.9 Ų | 114.9 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | 94.4 | 143.2 | 129.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 707 | G | 28 | Very low | 32 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 118.8 | 75.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 708 | S | 31.5 | Very low | 32.1 | Very low | 106 Ų | 106 | 113.8 Ų | 113.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 43.9 | 125.3 | 135.4 | 58.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 709 | N | 31.4 | Very low | 32 | Very low | 149 Ų | 149 | 119.3 Ų | 119.3 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 98.1 | 115.9 | 132.2 | -65.5 | 3.6 | 0 | 0 | 0 | 123.8 | ||||
| 710 | S | 28.3 | Very low | 31.8 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 62.5 | 108.2 | 137.4 | 66.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 711 | M | 27.2 | Very low | 31.4 | Very low | 194 Ų | 194 | 127.4 Ų | 127.4 | 96% | 0.956 | 79% | 0.794 | S | S | * | * | -174.5 | 158 | 116.8 | -100.8 | -68.5 | -178.9 | 0 | 0 | 109.5 | |||||
| 712 | A | 33.5 | Very low | 31.6 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -137.4 | 131.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 713 | E | 32.8 | Very low | 31.9 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | 3.6 | 153.2 | 147.8 | -59.7 | -136.6 | 117.7 | 0 | 0 | 121 | ||||
| 714 | K | 37 | Very low | 31.9 | Very low | 155 Ų | 155 | 132 Ų | 132 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | cis | -150.7 | -166 | 7.9 | -128.6 | 178.6 | 176.5 | 72.1 | 0 | 107.8 | ||||
| 715 | P | 47.5 | Very low | 31.9 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -110.8 | -149.4 | 12.9 | 35 | -13 | 0 | 0 | 0 | 111 | ||||
| 716 | E | 27.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -158.8 | 165.3 | 2.9 | -151.3 | -173.5 | 142 | 0 | 0 | 110.8 | ||||
| 717 | N | 29.3 | Very low | 31.8 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | 67.8 | 145.2 | 162 | -67.1 | -51.6 | 0 | 0 | 0 | 120.7 | ||||
| 718 | G | 36 | Very low | 31.8 | Very low | 70 Ų | 70 | 139.7 Ų | 139.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 140.2 | 80 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 719 | E | 28.9 | Very low | 31.7 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | 59.7 | 120 | 136.9 | -68.5 | 174 | -150.4 | 0 | 0 | 124.9 | ||||
| 720 | Y | 26.7 | Very low | 31.4 | Very low | 202 Ų | 202 | 141.8 Ų | 141.8 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | 70.6 | 121.4 | 121.1 | -153.3 | -95.3 | 0 | 0 | 0 | 122.5 | D722 | Y720-D722 HydrophobicContact CE1-CB 4.44Š| |||
| 721 | M | 36.6 | Very low | 31.3 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -148.3 | 142.8 | 157.7 | -96.4 | -67.6 | 171 | 0 | 0 | 110.1 | ||||
| 722 | D | 32.3 | Very low | 31.3 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 65% | 0.652 | 78% | 0.779 | S | S | * | * | trans | -114.7 | 172.9 | 176.5 | -170.7 | 25.6 | 0 | 0 | 0 | 111.6 | Y720 | Y720-D722 HydrophobicContact CE1-CB 4.44Š| ||
| 723 | M | 37.7 | Very low | 31.6 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -75.2 | 159.7 | -157.3 | -59.5 | -159.6 | -61.6 | 0 | 0 | 116.8 | Y725 | M723-Y725 HydrophobicContact CE-CE2 3.89Š| ||
| 724 | S | 29.9 | Very low | 31.2 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -121 | 149.4 | 153.4 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 725 | Y | 29.8 | Very low | 30.8 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -105.6 | 160.6 | -169.1 | -96.8 | -95.6 | 0 | 0 | 0 | 113.6 | M723 | M723-Y725 HydrophobicContact CE-CE2 3.89Š| ||
| 726 | S | 29.4 | Very low | 29.9 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | 85.2 | 149.6 | 146.6 | 81.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 727 | G | 26.3 | Very low | 30 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 101 | 103.3 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 728 | C | 29 | Very low | 30.1 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 95% | 0.946 | 79% | 0.793 | S | S | * | * | trans | -118.6 | 128.4 | 158.9 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 729 | G | 27.7 | Very low | 30 | Very low | 61 Ų | 61 | 143.4 Ų | 143.4 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | 159.8 | 116.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 730 | R | 26.6 | Very low | 30.1 | Very low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | 77 | 152.3 | 156.7 | -52.3 | 174 | -179.5 | -86.9 | 1.1 | 114.4 | ||||
| 731 | K | 25.8 | Very low | 30.3 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | cis | -159.3 | 156.1 | 20.4 | -141.9 | 165.1 | -177.4 | -175.4 | 0 | 111.4 | ||||
| 732 | L | 27.6 | Very low | 29.9 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 4.7 | 161.8 | 150 | -69.2 | 169 | 0 | 0 | 0 | 121.7 | ||||
| 733 | P | 39.6 | Very low | 30.7 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | cis | -123.8 | -146.9 | 19.9 | 47.9 | -33.4 | 0 | 0 | 0 | 112.3 | ||||
| 734 | G | 24.1 | Very low | 30.3 | Very low | 60 Ų | 60 | 137.7 Ų | 137.7 | 62% | 0.619 | 79% | 0.791 | S | S | * | * | cis | 171.9 | 158 | -1.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 735 | E | 28.2 | Very low | 30.3 | Very low | 199 Ų | 199 | 138.4 Ų | 138.4 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | 58.7 | 143.5 | 166.2 | -76.5 | 167.6 | 142.4 | 0 | 0 | 117.9 | ||||
| 736 | D | 29.6 | Very low | 31.1 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | cis | -154.5 | 166.2 | 0.2 | -165.9 | 16.9 | 0 | 0 | 0 | 113.2 | ||||
| 737 | S | 29.4 | Very low | 31 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 69.8 | 159.7 | 160.9 | -151.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 738 | S | 31.2 | Very low | 31.2 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | trans | -134.7 | 147.4 | -149.3 | 87.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 739 | L | 32.8 | Very low | 32.1 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 57.8 | 137.9 | 157.4 | -80.2 | 74.1 | 0 | 0 | 0 | 117.8 | ||||
| 740 | Y | 32.5 | Very low | 32.1 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 74% | 0.737 | 79% | 0.785 | S | S | * | * | -161.9 | 157 | 52.6 | -107.5 | -77.8 | 0 | 0 | 0 | 113.9 | |||||
| 741 | Y | 30.6 | Very low | 32.1 | Very low | 204 Ų | 204 | 137.5 Ų | 137.5 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 71.4 | 164.2 | 161.4 | -80.8 | -71.2 | 0 | 0 | 0 | 121.9 | ||||
| 742 | T | 28.8 | Very low | 32.2 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | -113.9 | -177.9 | -159.4 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 743 | P | 49.1 | Very low | 32.1 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | cis | -131.3 | 176 | -35.4 | 33.9 | -16.2 | 0 | 0 | 0 | 113.4 | ||||
| 744 | G | 27.3 | Very low | 31.5 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | 173.2 | 126.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 745 | T | 30.4 | Very low | 32.3 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -81 | 174.8 | 161.2 | 41.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 746 | P | 47.5 | Very low | 32.4 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | cis | -145.9 | -162.7 | 21.9 | 29.1 | -0.1 | 0 | 0 | 0 | 117.3 | ||||
| 747 | E | 27.4 | Very low | 32.6 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | 82.9 | 95 | 152.7 | -51.6 | -146.2 | 133.7 | 0 | 0 | 124.1 | ||||
| 748 | G | 30.8 | Very low | 32.6 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | 71.5 | -178.2 | 128.2 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 749 | P | 47.1 | Very low | 33.1 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | cis | -133.6 | -167.4 | -45.3 | 33.9 | -15.9 | 0 | 0 | 0 | 113.1 | ||||
| 750 | L | 27.2 | Very low | 33.6 | Very low | 141 Ų | 141 | 140 Ų | 140 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 100.1 | 101 | 162 | -59.2 | 164 | 0 | 0 | 0 | 121 | ||||
| 751 | K | 26.6 | Very low | 33.7 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | 39.9 | 114.7 | 120.9 | -58.8 | 178.3 | -177.8 | 176 | 0 | 120.3 | |||||
| 752 | S | 27.3 | Very low | 33.7 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | 165.5 | 157.3 | 98 | -84.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 753 | Y | 27 | Very low | 33.8 | Very low | 219 Ų | 219 | 142.7 Ų | 142.7 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -32.7 | 138.2 | 173.7 | -85 | -125.3 | 0 | 0 | 0 | 117.1 | ||||
| 754 | S | 26.7 | Very low | 32.8 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | 92.1 | 148.2 | 53.9 | -174.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 755 | P | 40.3 | Very low | 33 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -109.5 | -129.4 | -1.8 | 23.2 | 1.4 | 0 | 0 | 0 | 110.5 | ||||
| 756 | Y | 31 | Very low | 33.3 | Very low | 208 Ų | 208 | 145.8 Ų | 145.8 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | cis | -160.9 | -157.8 | -2.8 | -145.1 | 23.7 | 0 | 0 | 0 | 110.2 | ||||
| 757 | F | 34.1 | Very low | 32.3 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 60% | 0.596 | 78% | 0.783 | S | S | * | * | -149.4 | 146.6 | -106.4 | 162.4 | 78.3 | 0 | 0 | 0 | 113.8 | L759 | F757-L759 HydrophobicContact CE1-CD2 3.93Å; F757-L759 HydrophobicContact CE1-CG 4.48Å; F757-L759 HydrophobicContact CE2-CG 4.45Å; F757-L759 HydrophobicContact CZ-CD1 4.49Å; F757-L759 HydrophobicContact CZ-CD2 3.61Å; F757-L759 HydrophobicContact CZ-CG 3.9Å | |||
| 758 | S | 29.2 | Very low | 32.7 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -166.6 | 162.5 | 162.8 | -89 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 759 | L | 40.5 | Very low | 32.6 | Very low | 136 Ų | 136 | 154.1 Ų | 154.1 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | trans | -106 | 174.6 | -165.1 | -62 | 169.1 | 0 | 0 | 0 | 114.4 | F757 | F757-L759 HydrophobicContact CE1-CD2 3.93Å; F757-L759 HydrophobicContact CE1-CG 4.48Å; F757-L759 HydrophobicContact CE2-CG 4.45Å; F757-L759 HydrophobicContact CZ-CD1 4.49Å; F757-L759 HydrophobicContact CZ-CD2 3.61Å; F757-L759 HydrophobicContact CZ-CG 3.9Å | ||
| 760 | P | 45.1 | Very low | 31.7 | Very low | 134 Ų | 134 | 158.5 Ų | 158.5 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | -147.3 | -170.4 | 117.3 | 38.7 | -22.3 | 0 | 0 | 0 | 116.1 | |||||
| 761 | R | 33.3 | Very low | 31.8 | Very low | 235 Ų | 235 | 158.1 Ų | 158.1 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -113.6 | 151.8 | -170.3 | -67.1 | 175.2 | 165.6 | 159.4 | -6.3 | 115.8 | ||||
| 762 | S | 30.5 | Very low | 31.9 | Very low | 99 Ų | 99 | 156.4 Ų | 156.4 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | 61 | 122.1 | 135.8 | 64.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 763 | Y | 30.8 | Very low | 32.1 | Very low | 233 Ų | 233 | 159.3 Ų | 159.3 | 91% | 0.914 | 77% | 0.768 | S | S | * | * | trans | 54.3 | 123.4 | 133.8 | -82.1 | -83.6 | 0 | 0 | 0 | 123.6 | ||||
| 764 | K | 27.8 | Very low | 32.3 | Very low | 205 Ų | 205 | 156.1 Ų | 156.1 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | -164.6 | 159.3 | 113.6 | -141.5 | 172.8 | -178.4 | 177.1 | 0 | 112.3 | |||||
| 765 | A | 32 | Very low | 32.5 | Very low | 83 Ų | 83 | 159.1 Ų | 159.1 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | trans | -103.4 | 172.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 766 | P | 37.6 | Very low | 32.3 | Very low | 124 Ų | 124 | 157.6 Ų | 157.6 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | -157.4 | 174.9 | 100.4 | 42.2 | -24.2 | 0 | 0 | 0 | 118.8 | |||||
| 767 | N | 25.8 | Very low | 32.4 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 89.6 | 159.1 | 146.4 | -140.6 | 20.8 | 0 | 0 | 0 | 122.4 | ||||
| 768 | R | 36.5 | Very low | 32.1 | Very low | 224 Ų | 224 | 158.1 Ų | 158.1 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -136.5 | 148.4 | -172.3 | -61.3 | 171.3 | 63.8 | 152.2 | 1.5 | 111.8 | ||||
| 769 | E | 27.5 | Very low | 32.6 | Very low | 177 Ų | 177 | 157.8 Ų | 157.8 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -170 | 136.5 | 151.6 | -99.2 | 137.4 | -150.4 | 0 | 0 | 104.8 | ||||
| 770 | R | 29.4 | Very low | 32.9 | Very low | 213 Ų | 213 | 156.3 Ų | 156.3 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | cis | 69 | 123.5 | 43.6 | -164.1 | -166.9 | -85 | -84.3 | 17.7 | 111.5 | ||||
| 771 | E | 29.4 | Very low | 32.1 | Very low | 133 Ų | 133 | 157.6 Ų | 157.6 | 62% | 0.621 | 77% | 0.766 | S | S | * | * | cis | -171.2 | 176.8 | -12.5 | -169.4 | 173.2 | 169.2 | 0 | 0 | 107.3 | ||||
| 772 | E | 28.7 | Very low | 32 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | 66.4 | 163.2 | 166.4 | -64 | -161.7 | 106.5 | 0 | 0 | 118.5 | ||||
| 773 | R | 31.6 | Very low | 32.2 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 67% | 0.672 | 77% | 0.766 | S | S | * | * | cis | -164.7 | 165.5 | -40.9 | -156 | -175.3 | -69 | -109.9 | 8.5 | 108.9 | ||||
| 774 | E | 30.8 | Very low | 32.9 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 66.3 | 107.4 | 156.3 | -85.8 | 153.8 | 149.5 | 0 | 0 | 123.6 | ||||
| 775 | D | 30.7 | Very low | 33.1 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | 78 | 137.5 | 112.2 | -67.8 | 20.1 | 0 | 0 | 0 | 126.9 | |||||
| 776 | G | 35.5 | Very low | 33.2 | Very low | 76 Ų | 76 | 147.6 Ų | 147.6 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | 108.9 | 130.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 777 | E | 33.5 | Very low | 33.5 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | cis | -163.5 | -179.2 | -17.5 | -144.4 | -161.2 | 147.4 | 0 | 0 | 111 | ||||
| 778 | Y | 27.5 | Very low | 33.6 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | 85.1 | 84.8 | 160.4 | -103 | -102.6 | 0 | 0 | 0 | 123.5 | ||||
| 779 | V | 40.8 | Very low | 33.3 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | 56.8 | 144.5 | 104 | 172.7 | 0 | 0 | 0 | 0 | 120 | |||||
| 780 | P | 46.4 | Very low | 33.2 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | cis | -135.7 | -178.3 | -5.7 | 30.8 | -7.2 | 0 | 0 | 0 | 118.3 | ||||
| 781 | M | 28.2 | Very low | 33.1 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 111.7 | 102.2 | 146.4 | -59.4 | -54.4 | -81.4 | 0 | 0 | 122.4 | ||||
| 782 | S | 30.7 | Very low | 33 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 75.6 | 151.9 | 133.5 | -61.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 783 | S | 34.3 | Very low | 33.1 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -127 | -177 | -169.4 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 784 | P | 47.2 | Very low | 32.9 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | -143 | -171.4 | 57.7 | 32.6 | -8.9 | 0 | 0 | 0 | 114.4 | |||||
| 785 | A | 30.1 | Very low | 32.9 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | cis | -166.1 | 174 | -39.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 786 | K | 36 | Very low | 32.8 | Very low | 203 Ų | 203 | 129 Ų | 129 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -146.1 | 142 | 169.6 | -73.9 | -176.9 | 179.6 | 176.1 | 0 | 112.1 | ||||
| 787 | P | 42.7 | Very low | 32.5 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -119.8 | 153.9 | 144.3 | 32.6 | -20.7 | 0 | 0 | 0 | 111 | ||||
| 788 | V | 29 | Very low | 32.3 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | cis | 102.2 | 138.5 | 22.5 | 176.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 789 | Y | 28.9 | Very low | 32.6 | Very low | 228 Ų | 228 | 131.1 Ų | 131.1 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -74.9 | 147.7 | -171 | -119.1 | -104.8 | 0 | 0 | 0 | 114.1 | ||||
| 790 | S | 25 | Very low | 32.7 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -167.2 | 174.7 | 137 | -158.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 791 | S | 28.1 | Very low | 31.9 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -120.7 | 149.6 | 178.5 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 792 | V | 27.6 | Very low | 32.2 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | 177.7 | 133.3 | 139 | 145.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 793 | A | 30.9 | Very low | 32.2 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | trans | 16.4 | 159.3 | 155 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 794 | T | 28 | Very low | 32 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | 85.1 | 128.5 | 143.3 | 31.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 795 | A | 28.8 | Very low | 31.1 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | 74 | 102.5 | 136.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 796 | S | 29.7 | Very low | 31.1 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 52.7 | 127.1 | 110.7 | -60.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 797 | M | 29.2 | Very low | 30.9 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | 68.5 | 113 | 143.6 | -58.6 | -72.2 | -172.6 | 0 | 0 | 119.7 | ||||
| 798 | L | 28.3 | Very low | 30.4 | Very low | 173 Ų | 173 | 128 Ų | 128 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | -179.2 | 158.5 | 104.4 | -95.8 | 162.9 | 0 | 0 | 0 | 112.4 | |||||
| 799 | V | 34 | Very low | 30.7 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -121.3 | 152.6 | 172.7 | -156.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 800 | P | 42.6 | Very low | 31 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | -151.8 | 146.2 | 112.7 | 34.7 | -16.7 | 0 | 0 | 0 | 116.9 | |||||
| 801 | E | 30.7 | Very low | 31.3 | Very low | 149 Ų | 149 | 122 Ų | 122 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | trans | 59.1 | 154.2 | 135.6 | -60.7 | -139.3 | 132.9 | 0 | 0 | 122 | ||||
| 802 | K | 33.7 | Very low | 31.7 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 55% | 0.552 | 75% | 0.754 | S | S | * | * | cis | -163.1 | 161.4 | -8.5 | -126.8 | -178.1 | -178.1 | 126.5 | 0 | 112.2 | ||||
| 803 | R | 32.2 | Very low | 32.5 | Very low | 209 Ų | 209 | 122.7 Ų | 122.7 | 79% | 0.789 | 76% | 0.755 | S | S | * | * | trans | 63.7 | 139.3 | 153.3 | -79.6 | -170.3 | -97.9 | -140.8 | -1.6 | 117.1 | ||||
| 804 | I | 29.8 | Very low | 32.4 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | cis | -155.7 | 166.8 | 1.6 | -156.8 | 155.6 | 0 | 0 | 0 | 106.7 | ||||
| 805 | G | 27.6 | Very low | 32.4 | Very low | 66 Ų | 66 | 125.9 Ų | 125.9 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | cis | 108.6 | 136.7 | 12 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 806 | G | 30.5 | Very low | 33.2 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | cis | 173.2 | -163.9 | 4.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 807 | G | 31.6 | Very low | 34.1 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | 97.8 | 138.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 808 | S | 33.3 | Very low | 35.4 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | -153.4 | 130.7 | -3.7 | -74.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 809 | N | 33.9 | Very low | 36.5 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | 54.3 | 144.2 | 122.4 | -47.3 | -7.9 | 0 | 0 | 0 | 120.7 | |||||
| 810 | T | 35 | Very low | 36.2 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | cis | -167.8 | 150.1 | -11.5 | 22.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 811 | S | 31 | Very low | 35.6 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | -174.6 | 128.4 | 61.8 | 47.2 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 812 | T | 37.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | 55.5 | 141.6 | 80.6 | 64.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 813 | P | 43.1 | Very low | 35.6 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | cis | -93.7 | -150.4 | 9.1 | 42.4 | -40.1 | 0 | 0 | 0 | 112.4 | ||||
| 814 | S | 29.4 | Very low | 35.6 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | cis | -154.3 | 164.4 | 3.7 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 815 | H | 27.7 | Very low | 35.9 | Very low | 185 Ų | 185 | 120 Ų | 120 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | -168.7 | 175.6 | 179.2 | -83.2 | -65.3 | 0 | 0 | 0 | 108.2 | ||||
| 816 | P | 46.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | cis | -125.6 | -124.8 | -25.1 | 27.7 | -1.6 | 0 | 0 | 0 | 112.7 | ||||
| 817 | P | 48.3 | Very low | 36.2 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | -130.7 | -136.5 | -110.8 | 51.8 | -32.1 | 0 | 0 | 0 | 114.4 | |||||
| 818 | P | 56.8 | Low | 36.1 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | trans | -113.4 | -142.8 | -157.1 | 31.8 | -3 | 0 | 0 | 0 | 110.4 | ||||
| 819 | P | 50 | Low | 36 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | cis | -146.1 | -172.1 | -2.2 | 45.2 | -24.9 | 0 | 0 | 0 | 118.6 | ||||
| 820 | Y | 29.2 | Very low | 35.9 | Very low | 235 Ų | 235 | 125 Ų | 125 | 92% | 0.922 | 76% | 0.759 | S | S | * | * | trans | 74.3 | 148.2 | 158.3 | -92.8 | -82.1 | 0 | 0 | 0 | 121.4 | ||||
| 821 | G | 29.3 | Very low | 35.7 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | trans | 137.9 | 141.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 822 | A | 31.3 | Very low | 35.8 | Very low | 74 Ų | 74 | 129 Ų | 129 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | 179.6 | 134.7 | -79 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 823 | H | 32.4 | Very low | 35.6 | Very low | 169 Ų | 169 | 134 Ų | 134 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | 65.9 | 158.7 | 178.7 | -43 | -73.5 | 0 | 0 | 0 | 115.8 | ||||
| 824 | H | 33 | Very low | 35.2 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | cis | -105.2 | -162.1 | -11.2 | -61.8 | -103.4 | 0 | 0 | 0 | 108.3 | ||||
| 825 | T | 35.5 | Very low | 35.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | cis | -155.6 | 161.2 | 3.7 | -21.3 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 826 | T | 32.7 | Very low | 35.3 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | cis | -147.9 | -178.9 | 14.9 | -44.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 827 | A | 31.7 | Very low | 35.4 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -84.9 | 171.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 828 | A | 30.8 | Very low | 34.5 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | -160.4 | 152.4 | 24.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 829 | M | 29.3 | Very low | 33.2 | Very low | 186 Ų | 186 | 145 Ų | 145 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | 56.7 | 144.3 | 134.9 | -66.2 | 172.5 | -159.9 | 0 | 0 | 121.2 | ||||
| 830 | A | 32.1 | Very low | 32.2 | Very low | 89 Ų | 89 | 148 Ų | 148 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | cis | -164.6 | 146.4 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 831 | D | 31 | Very low | 32.9 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | trans | 64.4 | 152.9 | 140.9 | -150.4 | 15 | 0 | 0 | 0 | 123.7 | ||||
| 832 | R | 33.8 | Very low | 32.8 | Very low | 183 Ų | 183 | 145 Ų | 145 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | 68.8 | 103.4 | 157.7 | -87.1 | 162.8 | -136.9 | -122.9 | -5.9 | 124 | ||||
| 833 | R | 34.2 | Very low | 32.5 | Very low | 228 Ų | 228 | 148.8 Ų | 148.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | 59.4 | 142.6 | 113.7 | -64.6 | -177.2 | -169.5 | -167.4 | 0.8 | 121.5 | |||||
| 834 | V | 34.2 | Very low | 32.3 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -75.1 | 142.5 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 835 | M | 30.2 | Very low | 32.1 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | 166.6 | 131.7 | 129.1 | -86.6 | -148 | 101.5 | 0 | 0 | 115.2 | |||||
| 836 | R | 28.8 | Very low | 31.6 | Very low | 222 Ų | 222 | 144.9 Ų | 144.9 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | 65.5 | 177.8 | 153.6 | -82.3 | -176.7 | 166.6 | 172.1 | -3.2 | 117.2 | ||||
| 837 | P | 49.6 | Very low | 31.4 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | -140.4 | 170.3 | -75.9 | 42.1 | -22.8 | 0 | 0 | 0 | 116.9 | |||||
| 838 | T | 27.6 | Very low | 31.3 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 36.4 | 110.6 | 149 | 56.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 839 | R | 29.6 | Very low | 31.1 | Very low | 252 Ų | 252 | 154.3 Ų | 154.3 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | 172.2 | 164 | 116.5 | -98.9 | -174.3 | 176.2 | -120.3 | 0.1 | 114.8 | |||||
| 840 | L | 30.9 | Very low | 30.9 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -63.6 | 169.5 | 164.5 | -64.3 | 165.7 | 0 | 0 | 0 | 111.6 | ||||
| 841 | P | 42.5 | Very low | 30.7 | Very low | 103 Ų | 103 | 152.2 Ų | 152.2 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | cis | -153.1 | -169.1 | 31.2 | 45.7 | -23.2 | 0 | 0 | 0 | 118.5 | ||||
| 842 | L | 27.2 | Very low | 31.5 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | 33.9 | 146 | 134.9 | -67.7 | 167.7 | 0 | 0 | 0 | 121.4 | ||||
| 843 | E | 25.4 | Very low | 31.4 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 71% | 0.71 | 80% | 0.797 | S | S | * | * | cis | -169.8 | 172.7 | -8.9 | -145.3 | 179 | -175 | 0 | 0 | 111.7 | ||||
| 844 | T | 28.2 | Very low | 31.2 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | trans | 48.6 | 130.6 | 156.4 | 58.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 845 | T | 28.2 | Very low | 30.9 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | -172.4 | 157.8 | 105.6 | 20.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 846 | C | 26.3 | Very low | 30.9 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | trans | -99.8 | 152.2 | -176.4 | -61.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 847 | A | 26.9 | Very low | 31.8 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -168.4 | 139.6 | 131.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 848 | T | 30.6 | Very low | 30.7 | Very low | 142 Ų | 142 | 143 Ų | 143 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | -92.7 | 148.4 | 177 | 48.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 849 | R | 25.5 | Very low | 30.9 | Very low | 246 Ų | 246 | 146.2 Ų | 146.2 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | trans | -155.8 | 179.9 | 138.5 | -146.4 | 153.1 | 164 | 158.9 | -7.3 | 112.3 | ||||
| 850 | S | 26.7 | Very low | 30.9 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -138.2 | 160.4 | -141.4 | 56 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 851 | V | 28.3 | Very low | 31.2 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -37.2 | 168.5 | 154.2 | -87.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 852 | P | 47.3 | Very low | 30.4 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | cis | -150.8 | 178.2 | 29.2 | 44.6 | -24.2 | 0 | 0 | 0 | 120.9 | ||||
| 853 | V | 30.3 | Very low | 31 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | 68.4 | 139.5 | 139.6 | 153.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 854 | T | 30.6 | Very low | 32.1 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | cis | -112.9 | -134.8 | 5.2 | -22.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 855 | S | 28 | Very low | 32.3 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | cis | -149.9 | -177.4 | 3.7 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 856 | V | 31.2 | Very low | 32.9 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -153.8 | 165.5 | -176.7 | -106.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 857 | P | 46.1 | Very low | 33.3 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | cis | -148.6 | 170.6 | 35.5 | 45.8 | -26.2 | 0 | 0 | 0 | 121.1 | ||||
| 858 | R | 26.7 | Very low | 34.2 | Very low | 231 Ų | 231 | 129.7 Ų | 129.7 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | 79.3 | 103.8 | 141.5 | -159.6 | -177.8 | -162.5 | 161.7 | 4.9 | 121 | ||||
| 859 | E | 31.9 | Very low | 34.1 | Very low | 194 Ų | 194 | 128.9 Ų | 128.9 | 91% | 0.907 | 74% | 0.741 | S | S | * | * | -166.7 | 175.3 | 112.2 | -108 | 177.4 | -173.6 | 0 | 0 | 111.8 | |||||
| 860 | G | 29.5 | Very low | 34.7 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | -170.8 | -164.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 861 | P | 38 | Very low | 34.8 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | cis | -124.8 | -179 | 5.7 | 42.3 | -28.7 | 0 | 0 | 0 | 114.6 | ||||
| 862 | S | 26.1 | Very low | 35 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -124.1 | 169.9 | 160.9 | -72.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 863 | S | 38 | Very low | 34.1 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | -55.4 | 153.7 | 160.8 | -40.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 864 | P | 48.6 | Very low | 33.8 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | -148.3 | -151.8 | 72.4 | 41.4 | -21.1 | 0 | 0 | 0 | 113.1 | |||||
| 865 | G | 34.4 | Very low | 33.6 | Very low | 62 Ų | 62 | 129.8 Ų | 129.8 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | trans | -114 | 177 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 866 | E | 39.2 | Very low | 33.5 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | trans | 68 | 139.3 | -179.7 | -54.6 | -167.7 | 153.6 | 0 | 0 | 117.5 | T538 | T538-E866 HydrophobicContact CG2-CB 4.39Å; T538-E866 HydrophobicContact CG2-CG 4.46Å | ||
| 867 | Y | 34.7 | Very low | 34.2 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 62% | 0.624 | 73% | 0.726 | S | S | * | * | trans | -175.8 | -171.4 | 138.4 | -108.7 | -87.4 | 0 | 0 | 0 | 110.2 | Q540 | Q540-Y867 PolarHBondContact NE2-OH 3.13Š| ||
| 868 | I | 46.6 | Very low | 33.3 | Very low | 33 Ų | 33 | 134.7 Ų | 134.7 | 17% | 0.169 | 72% | 0.724 | C | S | . | * | trans | -144.8 | 154.4 | -133.7 | -33.3 | 178.7 | 0 | 0 | 0 | 115.4 | A537 T538 Y539 I870 | A537-I868 HydrophobicContact CB-CG2 3.76Å; T538-I868 WeakPolarHBondContact OG1-CD1 3.47Å; T538-I868 WeakPolarHBondContact OG1-CG1 3.41Å; Y539-I868 HydrophobicContact CD1-CD1 4.15Å; Y539-I868 HydrophobicContact CD2-CD1 4.42Å; Y539-I868 HydrophobicContact CD2-CG2 4.45Å; Y539-I868 HydrophobicContact CE1-CD1 3.69Å; Y539-I868 HydrophobicContact CE2-CD1 4Å; Y539-I868 HydrophobicContact CE2-CG2 3.98Å; Y539-I868 HydrophobicContact CG-CD1 4.48Å; I868-I870 HydrophobicContact CB-CD1 4.26Å; I868-I870 HydrophobicContact CG2-CD1 3.78Å; I868-I870 HydrophobicContact CG2-CG1 3.93Å | ||
| 869 | N | 28.1 | Very low | 33.4 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | trans | -165.7 | 138.3 | 146 | -129.1 | 97.6 | 0 | 0 | 0 | 109.6 | A537 | A537-N869 WeakPolarHBondContact CB-O 3.11Š| ||
| 870 | I | 38 | Very low | 33.1 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 40% | 0.395 | 71% | 0.705 | S | S | . | * | cis | 103.7 | 103.3 | 7.6 | -55.9 | 161.4 | 0 | 0 | 0 | 115.1 | Y539 I868 F872 | Y539-I870 HydrophobicContact CE2-CD1 3.88Å; Y539-I870 HydrophobicContact CE2-CG1 4.22Å; Y539-I870 WeakPolarHBondContact OH-CD1 3.12Å; I868-I870 HydrophobicContact CB-CD1 4.26Å; I868-I870 HydrophobicContact CG2-CD1 3.78Å; I868-I870 HydrophobicContact CG2-CG1 3.93Å; I870-F872 HydrophobicContact CG2-CD2 4.34Å; I870-F872 HydrophobicContact CG2-CE2 3.94Å | ||
| 871 | E | 29.8 | Very low | 32.7 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | trans | 175.5 | 158.5 | 150.8 | -105.5 | 177.4 | -174.3 | 0 | 0 | 111.9 | ||||
| 872 | F | 31 | Very low | 32.6 | Very low | 189 Ų | 189 | 133.3 Ų | 133.3 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | -158.7 | 148.5 | -63.4 | -116 | -66.6 | 0 | 0 | 0 | 111.5 | I870 | I870-F872 HydrophobicContact CG2-CD2 4.34Å; I870-F872 HydrophobicContact CG2-CE2 3.94Å | |||
| 873 | G | 28.2 | Very low | 33.9 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | 73.2 | 171.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 874 | E | 24.2 | Very low | 33.7 | Very low | 175 Ų | 175 | 132.9 Ų | 132.9 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | cis | -163.4 | 165.2 | -28.9 | -146.4 | 167.6 | -156.8 | 0 | 0 | 111.1 | ||||
| 875 | H | 27.5 | Very low | 32.5 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 78% | 0.782 | 70% | 0.699 | S | S | * | * | trans | 78.3 | 162.5 | 170.9 | -67.5 | -70.6 | 0 | 0 | 0 | 122.3 | ||||
| 876 | F | 25.3 | Very low | 32.8 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 87% | 0.873 | 70% | 0.704 | S | S | * | * | trans | -106.1 | -179.8 | -163.2 | -90.9 | -80.1 | 0 | 0 | 0 | 111.9 | ||||
| 877 | P | 46.4 | Very low | 32.1 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | cis | -149.8 | 173.6 | 27.8 | 44.3 | -23.4 | 0 | 0 | 0 | 121.1 | ||||
| 878 | H | 27 | Very low | 31.5 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | 70.9 | 151.3 | 150.6 | -76.5 | 11.9 | 0 | 0 | 0 | 118.9 | ||||
| 879 | Q | 27.9 | Very low | 30.8 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 60% | 0.598 | 75% | 0.746 | S | S | * | * | cis | -156.1 | 147.9 | -4.9 | -124.7 | 176.3 | 22.2 | 0 | 0 | 113.2 | ||||
| 880 | Q | 25.8 | Very low | 30.7 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | trans | 62.9 | 125.1 | 141.4 | -77.7 | 167.3 | 15.9 | 0 | 0 | 125.9 | ||||
| 881 | Q | 22.6 | Very low | 30.1 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | trans | -44.1 | -177.2 | 139.7 | -103 | 178.4 | -14.1 | 0 | 0 | 115.5 | ||||
| 882 | P | 34.9 | Very low | 29.9 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | cis | -128.1 | -101.1 | 1.1 | 20.9 | 7.2 | 0 | 0 | 0 | 118.6 | ||||
| 883 | P | 52.6 | Low | 29.5 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -124.9 | -156.9 | -133.8 | 45.5 | -25.2 | 0 | 0 | 0 | 113.9 | ||||
| 884 | P | 34 | Very low | 29.9 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | -142.6 | -179.8 | -0 | 44.4 | -24.4 | 0 | 0 | 0 | 119.6 | ||||
| 885 | Y | 25 | Very low | 29.9 | Very low | 214 Ų | 214 | 137.6 Ų | 137.6 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | -27.6 | 166.8 | 150.4 | -69.3 | -63.3 | 0 | 0 | 0 | 120.1 | ||||
| 886 | P | 39.2 | Very low | 29.7 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | cis | -153.1 | 165.9 | 38.6 | 45.9 | -24.9 | 0 | 0 | 0 | 123.6 | ||||
| 887 | L | 24.5 | Very low | 29.6 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | 64.5 | 119.9 | 142.8 | -100.3 | 72.6 | 0 | 0 | 0 | 125 | ||||
| 888 | S | 23.4 | Very low | 28.6 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | 93.4 | 117.7 | 120.8 | -147.7 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 889 | T | 31.1 | Very low | 28.5 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | trans | -114.2 | 130 | 159.6 | 49 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 890 | Q | 26.3 | Very low | 28.4 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -159 | 149.8 | 168 | -103.1 | -166 | -63.2 | 0 | 0 | 107.4 | ||||
| 891 | D | 25.4 | Very low | 28.4 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 63% | 0.631 | 73% | 0.728 | S | S | * | * | cis | -156.6 | -173.1 | -8 | -146.6 | -27.7 | 0 | 0 | 0 | 110 | ||||
| 892 | E | 25.4 | Very low | 28.6 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | trans | 66.7 | 113.1 | 151.5 | -79.6 | -174.2 | 104.9 | 0 | 0 | 121 | ||||
| 893 | A | 23.4 | Very low | 28.2 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | trans | -75 | 177.8 | 134.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 894 | P | 36.5 | Very low | 26.8 | Very low | 104 Ų | 104 | 128 Ų | 128 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | cis | -156 | -179.1 | 28.5 | 42.1 | -18.3 | 0 | 0 | 0 | 119.6 | ||||
| 895 | S | 23.1 | Very low | 27.7 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | trans | 71.8 | 138.3 | 136.1 | 71.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 896 | L | 24.6 | Very low | 28.5 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | 75 | 141.2 | 135.5 | -77.1 | 164.9 | 0 | 0 | 0 | 121.8 | ||||
| 897 | V | 23.2 | Very low | 28.2 | Very low | 131 Ų | 131 | 119.9 Ų | 119.9 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | trans | 71.2 | 134.7 | 147 | 166 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 898 | S | 24.6 | Very low | 28.6 | Very low | 93 Ų | 93 | 115.6 Ų | 115.6 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | cis | -156.9 | 178.8 | 5.4 | -143.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 899 | S | 25.1 | Very low | 28.9 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | trans | 34.9 | 149.9 | 130.7 | -56.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 900 | D | 24.7 | Very low | 28.9 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 66% | 0.658 | 67% | 0.666 | S | S | * | * | cis | -174 | 150.8 | -14.8 | 178.8 | 33.5 | 0 | 0 | 0 | 108.4 | R902 | D900-R902 IonicContact OD2-NH2 3.99Š| ||
| 901 | T | 26.2 | Very low | 29.1 | Very low | 85 Ų | 85 | 113 Ų | 113 | 52% | 0.521 | 65% | 0.648 | S | S | . | * | trans | 49.4 | 141.4 | 160.3 | 60.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 902 | R | 26.8 | Very low | 29.4 | Very low | 199 Ų | 199 | 112.7 Ų | 112.7 | 75% | 0.751 | 65% | 0.65 | S | S | * | * | 118.9 | 142.6 | 111.8 | -109.1 | 169.9 | -66.1 | -146 | -6.6 | 120.3 | D900 | D900-R902 IonicContact OD2-NH2 3.99Š| |||
| 903 | C | 26.6 | Very low | 29.6 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 80% | 0.797 | 65% | 0.65 | S | S | * | * | trans | 77.5 | 152.5 | 152.3 | -66.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 904 | S | 24.3 | Very low | 30.1 | Very low | 117 Ų | 117 | 115.6 Ų | 115.6 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | trans | -150.6 | -150.1 | -163.8 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 905 | P | 52.4 | Low | 29.7 | Very low | 85 Ų | 85 | 113.4 Ų | 113.4 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | trans | -88.9 | 177.3 | -145.3 | 45.7 | -44.2 | 0 | 0 | 0 | 115.4 | Q907 | P905-Q907 HydrophobicContact CB-CG 4.25Š| ||
| 906 | P | 41.2 | Very low | 30.1 | Very low | 110 Ų | 110 | 115 Ų | 115 | 71% | 0.714 | 67% | 0.667 | S | S | * | * | -126.2 | 175.6 | 65.9 | 42.1 | -32.3 | 0 | 0 | 0 | 114 | |||||
| 907 | Q | 33.3 | Very low | 30.4 | Very low | 74 Ų | 74 | 115.1 Ų | 115.1 | 35% | 0.346 | 67% | 0.669 | S | S | . | * | cis | 94.4 | 150.2 | 9.3 | -58 | 172.3 | -105.1 | 0 | 0 | 119.6 | T322 P905 | T322-Q907 PolarHBondContact OG1-NE2 3.24Å; P905-Q907 HydrophobicContact CB-CG 4.25Å | ||
| 908 | D | 32.6 | Very low | 30.9 | Very low | 67 Ų | 67 | 116.8 Ų | 116.8 | 36% | 0.358 | 67% | 0.668 | S | S | . | * | trans | 92.2 | 147.5 | 152.1 | -51.8 | -50.9 | 0 | 0 | 0 | 122 | T322 M323 | T322-D908 VanDerWaalsContact CA-OD1 3.22Å; T322-D908 WeakPolarHBondContact CA-OD1 3.44Å; T322-D908 WeakPolarHBondContact CB-OD1 3.37Å; T322-D908 PolarHBondContact N-OD1 3.47Å; T322-D908 PolarHBondContact OG1-OD1 3Å; M323-D908 VanDerWaalsContact CB-CG 3.5Å; M323-D908 WeakPolarHBondContact CB-OD1 2.98Å; M323-D908 WeakPolarHBondContact CB-OD2 3.15Å; M323-D908 WeakPolarHBondContact CG-OD2 3.31Å; M323-D908 PolarHBondContact N-OD1 3.1Å | ||
| 909 | Y | 31.1 | Very low | 31.1 | Very low | 139 Ų | 139 | 119.7 Ų | 119.7 | 55% | 0.545 | 67% | 0.671 | S | S | . | * | cis | -177.8 | 153.4 | -23.5 | 168.3 | -108.8 | 0 | 0 | 0 | 111.7 | S911 | Y909-S911 WeakPolarHBondContact CE1-OG 3.42Å; Y909-S911 PolarHBondContact OH-OG 2.8Å | ||
| 910 | M | 30.5 | Very low | 31.2 | Very low | 151 Ų | 151 | 121.5 Ų | 121.5 | 74% | 0.744 | 67% | 0.672 | S | S | * | * | trans | 169.6 | 128.3 | 143.4 | -91.8 | -164.4 | 96.5 | 0 | 0 | 113.3 | ||||
| 911 | S | 29.9 | Very low | 31.4 | Very low | 59 Ų | 59 | 119.6 Ų | 119.6 | 41% | 0.413 | 67% | 0.673 | S | S | . | * | 83.5 | 145.8 | 83 | -51.3 | 0 | 0 | 0 | 0 | 114.9 | Y909 | Y909-S911 WeakPolarHBondContact CE1-OG 3.42Å; Y909-S911 PolarHBondContact OH-OG 2.8Å | |||
| 912 | V | 32.6 | Very low | 31.6 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | -171 | 122.2 | 75.1 | 156.6 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 913 | E | 29.9 | Very low | 31.5 | Very low | 166 Ų | 166 | 115.9 Ų | 115.9 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | 66.3 | 157.4 | 104.2 | -53.2 | 171.3 | 179.8 | 0 | 0 | 116.2 | |||||
| 914 | V | 32.7 | Very low | 31.6 | Very low | 145 Ų | 145 | 115.9 Ų | 115.9 | 88% | 0.879 | 69% | 0.686 | S | S | * | * | cis | -159 | 167.4 | -5 | 108.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 915 | G | 28.6 | Very low | 31.8 | Very low | 59 Ų | 59 | 118.2 Ų | 118.2 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | cis | -169.1 | -139.6 | 8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 916 | S | 31.5 | Very low | 30.6 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 87% | 0.867 | 70% | 0.695 | S | S | * | * | trans | -149.7 | 172.2 | -166.3 | -51.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 917 | D | 30.5 | Very low | 30 | Very low | 153 Ų | 153 | 121 Ų | 121 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -67 | 155 | -174.8 | -47 | -86.2 | 0 | 0 | 0 | 116 | ||||
| 918 | Q | 33.1 | Very low | 29.9 | Very low | 166 Ų | 166 | 124.6 Ų | 124.6 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -158.1 | 160.2 | 166.6 | -152.2 | 79.6 | 149.5 | 0 | 0 | 113.1 | ||||
| 919 | H | 29.4 | Very low | 29.7 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | 84.2 | 130.2 | 175.7 | -60.7 | -75.5 | 0 | 0 | 0 | 116.5 | ||||
| 920 | D | 27.2 | Very low | 29.6 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | cis | -147.4 | 178.9 | 2.6 | -107.6 | -29.9 | 0 | 0 | 0 | 114.2 | ||||
| 921 | A | 29.3 | Very low | 30.1 | Very low | 83 Ų | 83 | 127.2 Ų | 127.2 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | trans | -77.3 | 170.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 922 | T | 29.1 | Very low | 30.3 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | -177.6 | 130.9 | 67.3 | -55.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 923 | G | 26.8 | Very low | 30.4 | Very low | 67 Ų | 67 | 136.2 Ų | 136.2 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 67.7 | 170.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 924 | C | 28.5 | Very low | 30.2 | Very low | 117 Ų | 117 | 133 Ų | 133 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | cis | -166.5 | 131.9 | -19 | -114.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 925 | L | 27.9 | Very low | 30.1 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | 59.5 | 148.6 | 172.7 | -66.4 | 84 | 0 | 0 | 0 | 118.2 | ||||
| 926 | G | 27.8 | Very low | 30.1 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | cis | 162.2 | 149.4 | -16.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 927 | K | 28.4 | Very low | 29.8 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | 84.1 | 153.9 | 156 | -53.6 | 178.8 | -179.4 | 177.7 | 0 | 120.7 | ||||
| 928 | N | 29.9 | Very low | 30.2 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 70.1 | 101.5 | 169.1 | -48.5 | -22.6 | 0 | 0 | 0 | 116 | ||||
| 929 | Q | 28.2 | Very low | 30 | Very low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | 84.2 | 119.3 | 54.2 | -66.1 | -161.6 | 8.9 | 0 | 0 | 117 | |||||
| 930 | S | 29.6 | Very low | 30 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -17.7 | 163 | 152.6 | 50.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 931 | P | 42.1 | Very low | 30.7 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | cis | -148.6 | -164.5 | 37.2 | 43 | -20.9 | 0 | 0 | 0 | 118.6 | ||||
| 932 | R | 33.8 | Very low | 31 | Very low | 237 Ų | 237 | 136.4 Ų | 136.4 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -92.9 | 156.1 | 173.3 | -72 | 178.8 | 167.6 | 178.9 | -4.2 | 112.9 | ||||
| 933 | P | 33.7 | Very low | 31 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | -127.5 | -178.6 | 101 | 38.8 | -34.4 | 0 | 0 | 0 | 112.8 | |||||
| 934 | S | 25.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | cis | 115.6 | 141.1 | -10.6 | -153.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 935 | L | 31.6 | Very low | 31.3 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 70.1 | 154 | 173.5 | -46.7 | -178.6 | 0 | 0 | 0 | 117 | ||||
| 936 | V | 28.7 | Very low | 31.7 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | cis | -158.7 | 170.5 | -19.2 | 129.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 937 | A | 25.5 | Very low | 32.2 | Very low | 85 Ų | 85 | 149.2 Ų | 149.2 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | -84.6 | -163.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 938 | P | 38.8 | Very low | 32.2 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | cis | -131.9 | -158.5 | -9.3 | 44.3 | -26.4 | 0 | 0 | 0 | 113.6 | ||||
| 939 | W | 27.1 | Very low | 32.2 | Very low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | trans | 163.1 | 174.3 | 136 | -94 | 96.2 | 0 | 0 | 0 | 114.4 | ||||
| 940 | N | 29.4 | Very low | 32.2 | Very low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -111.2 | 166.9 | -165 | -121 | -3.5 | 0 | 0 | 0 | 114.1 | ||||
| 941 | P | 43.7 | Very low | 32.3 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | trans | -99.6 | 160.7 | -172.6 | 38.6 | -35.6 | 0 | 0 | 0 | 116.1 | ||||
| 942 | P | 35.5 | Very low | 31.7 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -104.5 | 174.2 | 170.6 | 39.4 | -33.3 | 0 | 0 | 0 | 114.7 | ||||
| 943 | S | 29.1 | Very low | 31.5 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | -138.5 | 141.5 | -166.8 | -49.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 944 | Y | 28.9 | Very low | 31.4 | Very low | 221 Ų | 221 | 138.4 Ų | 138.4 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -151.2 | 140.1 | 155.6 | -71.2 | -72.3 | 0 | 0 | 0 | 108.3 | ||||
| 945 | I | 32.5 | Very low | 31.5 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | cis | 107.2 | 146 | 24.7 | -67.5 | 175.3 | 0 | 0 | 0 | 112.8 | ||||
| 946 | R | 36.1 | Very low | 31.2 | Very low | 229 Ų | 229 | 136.4 Ų | 136.4 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -93.5 | 164.5 | -158.4 | -29 | 169.2 | -151.4 | 171.8 | 6.5 | 113.3 | ||||
| 947 | P | 37 | Very low | 31.2 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -89.1 | 154.7 | 154.4 | 35.8 | -31.9 | 0 | 0 | 0 | 112.9 | ||||
| 948 | L | 29.3 | Very low | 31.1 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -148.2 | 157.2 | 162.7 | -174.1 | 59.8 | 0 | 0 | 0 | 109.3 | ||||
| 949 | V | 30.6 | Very low | 30.7 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | trans | -84.1 | 143.9 | -169.9 | 172.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 950 | N | 28 | Very low | 31 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -163.2 | 176.9 | 134 | -121.8 | 31.4 | 0 | 0 | 0 | 113.5 | ||||
| 951 | S | 31.6 | Very low | 31 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -124.1 | 176.7 | -149.9 | -43 | 0 | 0 | 0 | 0 | 116 | ||||
| 952 | S | 30 | Very low | 30.9 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | 92.8 | 142.1 | 173.9 | -35.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 953 | G | 28.4 | Very low | 31 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | 165.2 | 154.9 | -11.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 954 | V | 31.3 | Very low | 31.4 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | 81.2 | 116.5 | 157 | 178.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 955 | T | 28.2 | Very low | 31.8 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 51.9 | 135.4 | 154.8 | 57.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 956 | G | 25.6 | Very low | 31.8 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | 146.7 | 112.8 | 122.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 957 | S | 28.2 | Very low | 31.9 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 92% | 0.923 | 79% | 0.785 | S | S | * | * | trans | -14.4 | 151 | 159.1 | -171.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 958 | G | 25.1 | Very low | 31.5 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | cis | 152.9 | 155.6 | -1.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 959 | G | 29.6 | Very low | 31.8 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 78.7 | 161.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 960 | H | 32.7 | Very low | 32 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -160 | 173 | -3.9 | -87.4 | -76.6 | 0 | 0 | 0 | 107.6 | ||||
| 961 | W | 30.5 | Very low | 32.4 | Very low | 206 Ų | 206 | 127.1 Ų | 127.1 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | cis | -138.4 | -111 | 3.5 | -137.6 | 167.6 | 0 | 0 | 0 | 114.7 | ||||
| 962 | R | 41.8 | Very low | 32.2 | Very low | 206 Ų | 206 | 126.7 Ų | 126.7 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -162.7 | 157.3 | -170.6 | -70.4 | -169.6 | -176.6 | -75.8 | 4.2 | 115.7 | ||||
| 963 | S | 36.9 | Very low | 32.1 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | -162.5 | 122.5 | 121.3 | -89.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 964 | V | 36.4 | Very low | 32.1 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | 78 | 130.5 | 82.6 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 965 | G | 37.3 | Very low | 32.1 | Very low | 58 Ų | 58 | 132.2 Ų | 132.2 | 60% | 0.598 | 75% | 0.749 | S | S | * | * | cis | -178.8 | -173.2 | -0.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 966 | D | 34.3 | Very low | 32 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | 65.5 | 152 | 163.2 | -47.8 | -11.5 | 0 | 0 | 0 | 118.6 | ||||
| 967 | D | 37.5 | Very low | 32.6 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | cis | -160.3 | 172 | -38 | -161.2 | 4 | 0 | 0 | 0 | 109.8 | ||||
| 968 | Y | 29.3 | Very low | 32.6 | Very low | 192 Ų | 192 | 136.5 Ų | 136.5 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | 74 | 99.1 | 157.3 | -112.9 | -108.7 | 0 | 0 | 0 | 123 | ||||
| 969 | T | 35.6 | Very low | 32.9 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | 78 | 136.8 | 119.5 | -54.7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 970 | D | 33.8 | Very low | 32.8 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 64 | 134 | 162.9 | -83 | -15.3 | 0 | 0 | 0 | 120.2 | ||||
| 971 | M | 36.1 | Very low | 32.6 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | cis | -143 | 139 | -11.4 | -78.2 | 165.7 | -86.7 | 0 | 0 | 106.3 | ||||
| 972 | S | 28.5 | Very low | 32.4 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | 49.9 | 129.6 | 72.4 | -66 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 973 | F | 28 | Very low | 32 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | cis | -134.2 | 157.1 | 11.1 | -66.8 | -93.9 | 0 | 0 | 0 | 109.8 | ||||
| 974 | N | 27.6 | Very low | 32.3 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | cis | 69.6 | 142 | 41.4 | -65.2 | -30.6 | 0 | 0 | 0 | 113.2 | ||||
| 975 | L | 30.8 | Very low | 32 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | cis | -155.7 | 149.2 | 3.7 | -151.7 | 76.6 | 0 | 0 | 0 | 113.4 | ||||
| 976 | S | 27.6 | Very low | 31.8 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 60 | 147.3 | 139.4 | -84.9 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 977 | R | 36.6 | Very low | 31.5 | Very low | 249 Ų | 249 | 140.1 Ų | 140.1 | 94% | 0.94 | 75% | 0.749 | S | S | * | * | trans | -78.1 | 135.9 | 154.3 | 179.8 | -171.2 | -169.5 | -156.3 | 5.5 | 109.9 | ||||
| 978 | G | 29.4 | Very low | 31.2 | Very low | 79 Ų | 79 | 139.4 Ų | 139.4 | 81% | 0.814 | 75% | 0.745 | S | S | * | * | trans | -149.3 | 160.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 979 | E | 30.3 | Very low | 31.3 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | -121.6 | 147.4 | -169 | -155.9 | -163.7 | 121.1 | 0 | 0 | 112.8 | ||||
| 980 | R | 28.7 | Very low | 31.1 | Very low | 203 Ų | 203 | 140 Ų | 140 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | trans | 82.7 | 142.5 | 161.5 | -53.4 | -165 | 173.9 | -155.7 | -7.1 | 121.5 | ||||
| 981 | T | 27.5 | Very low | 30.9 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | trans | 80.4 | 132.3 | 146.2 | 22.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 982 | Q | 27.2 | Very low | 30.7 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | trans | 75.8 | 101.3 | 149.6 | -67.6 | 169.1 | 6.3 | 0 | 0 | 119.9 | ||||
| 983 | S | 32.3 | Very low | 30.8 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | -64.8 | 167.1 | 133 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 984 | P | 43.9 | Very low | 30.8 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | cis | -151.7 | 178.2 | 34.1 | 45.3 | -24.3 | 0 | 0 | 0 | 119.4 | ||||
| 985 | T | 30.6 | Very low | 30.8 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | 43 | 149.5 | 142.7 | -49.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 986 | A | 32.8 | Very low | 30.6 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | trans | 97.9 | 153.6 | 155 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 987 | M | 26.3 | Very low | 30.6 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | cis | -174 | 144.8 | -28.9 | -105.7 | -148.7 | -59.4 | 0 | 0 | 110.5 | ||||
| 988 | L | 31.6 | Very low | 30.1 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | trans | 64.1 | 164 | 153.4 | -55.8 | 168 | 0 | 0 | 0 | 116.6 | ||||
| 989 | Q | 31.8 | Very low | 29.9 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | cis | -164.7 | 161.5 | -14 | -122.6 | 170.3 | -11.3 | 0 | 0 | 112.6 | ||||
| 990 | H | 32.3 | Very low | 30.2 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | trans | 68.7 | 158.7 | 147 | -73.4 | -41.4 | 0 | 0 | 0 | 120.5 | ||||
| 991 | L | 29.7 | Very low | 30.4 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | cis | -153.6 | -177.7 | 7.3 | -131.4 | 164.8 | 0 | 0 | 0 | 112.3 | ||||
| 992 | C | 31 | Very low | 30.4 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 72% | 0.716 | 74% | 0.744 | S | S | * | * | trans | 80.1 | 140.5 | 165.1 | -67.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 993 | V | 30.6 | Very low | 30.4 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | cis | -163.4 | 143.5 | 2 | 100.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 994 | I | 29.1 | Very low | 30.2 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | trans | 54.9 | 149.7 | 152.4 | -68.1 | 165.2 | 0 | 0 | 0 | 119.1 | ||||
| 995 | E | 26.8 | Very low | 29.4 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 64% | 0.64 | 74% | 0.743 | S | S | * | * | cis | -147.1 | 167.8 | -19.4 | -119.7 | -179 | 109.6 | 0 | 0 | 104.3 | R997 | E995-R997 IonicContact OE1-CZ 3.32Å; E995-R997 VanDerWaalsContact OE1-CZ 3.32Å; E995-R997 IonicContact OE1-NE 3.16Å; E995-R997 PolarHBondContact OE1-NE 3.16Å; E995-R997 IonicContact OE1-NH2 3.6Å; E995-R997 PolarHBondContact OE1-NH2 3.05Å | ||
| 996 | G | 27.1 | Very low | 29.4 | Very low | 58 Ų | 58 | 130.6 Ų | 130.6 | 60% | 0.598 | 74% | 0.739 | S | S | * | * | cis | 123.3 | 109.3 | 6.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 997 | R | 26.3 | Very low | 29.2 | Very low | 199 Ų | 199 | 131.7 Ų | 131.7 | 75% | 0.751 | 74% | 0.741 | S | S | * | * | trans | 148.4 | 128.7 | 145.3 | -79.6 | 156.3 | -151.3 | -86.6 | -2.7 | 115.8 | E995 | E995-R997 IonicContact OE1-CZ 3.32Å; E995-R997 VanDerWaalsContact OE1-CZ 3.32Å; E995-R997 IonicContact OE1-NE 3.16Å; E995-R997 PolarHBondContact OE1-NE 3.16Å; E995-R997 IonicContact OE1-NH2 3.6Å; E995-R997 PolarHBondContact OE1-NH2 3.05Å | ||
| 998 | Y | 26.2 | Very low | 29.3 | Very low | 228 Ų | 228 | 129.1 Ų | 129.1 | 89% | 0.894 | 74% | 0.739 | S | S | * | * | trans | 43.6 | 135.9 | 145.4 | -71.5 | -93.5 | 0 | 0 | 0 | 123.7 | ||||
| 999 | G | 25.3 | Very low | 29.1 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | 140.6 | 93.5 | 128.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1000 | H | 37.1 | Very low | 28.9 | Very low | 196 Ų | 196 | 129.3 Ų | 129.3 | 91% | 0.907 | 75% | 0.748 | S | S | * | * | trans | -77 | 146.1 | 143.2 | -84.1 | -60.4 | 0 | 0 | 0 | 108.4 | ||||
| 1001 | P | 32.8 | Very low | 28.6 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | -137 | 154.7 | 112.7 | 37.6 | -28.7 | 0 | 0 | 0 | 113.3 | |||||
| 1002 | A | 26.7 | Very low | 29 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -107.1 | 141.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1003 | S | 28.4 | Very low | 29.5 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -175.8 | 139 | 155.2 | -88.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1004 | T | 27.6 | Very low | 29.3 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 77% | 0.767 | 71% | 0.708 | S | S | * | * | trans | 65.3 | 143.1 | 146.5 | 55.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1005 | T | 27.3 | Very low | 29.2 | Very low | 123 Ų | 123 | 118 Ų | 118 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | cis | -150.8 | 171.4 | 12.5 | -15.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1006 | S | 29.8 | Very low | 29.9 | Very low | 104 Ų | 104 | 116.8 Ų | 116.8 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | 73.4 | 100.9 | 157.4 | 39.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1007 | S | 30.5 | Very low | 29.8 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | 90.2 | 92.4 | 125.6 | -51.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1008 | S | 27.4 | Very low | 30 | Very low | 101 Ų | 101 | 114.7 Ų | 114.7 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | 36.5 | 138.1 | 117.2 | 59.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1009 | T | 27.1 | Very low | 30.4 | Very low | 120 Ų | 120 | 111.5 Ų | 111.5 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | cis | -172.3 | 145.3 | 8.6 | 13.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1010 | I | 28.5 | Very low | 30.9 | Very low | 148 Ų | 148 | 116.2 Ų | 116.2 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | trans | 51.8 | 108.3 | 142.9 | -54.9 | 163.8 | 0 | 0 | 0 | 121.8 | ||||
| 1011 | S | 24.5 | Very low | 31.1 | Very low | 97 Ų | 97 | 111.3 Ų | 111.3 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | 50.4 | -175.5 | 138.5 | -41.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 1012 | P | 38.3 | Very low | 31 | Very low | 84 Ų | 84 | 113.9 Ų | 113.9 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | cis | -140.2 | -1.7 | -10.7 | 47.6 | -35.7 | 0 | 0 | 0 | 126.1 | R1122 | P1012-R1122 VanDerWaalsContact O-CB 3.28Å; P1012-R1122 WeakPolarHBondContact O-CB 3.18Å; P1012-R1122 WeakPolarHBondContact O-CG 3.46Å | ||
| 1013 | P | 41.4 | Very low | 32.2 | Very low | 69 Ų | 69 | 114.1 Ų | 114.1 | 45% | 0.448 | 69% | 0.69 | S | S | . | * | trans | -110.3 | 146.7 | -147.3 | 12.9 | 9.4 | 0 | 0 | 0 | 123 | R1122 M1123 C1124 | P1013-R1122 VanDerWaalsContact C-CB 3.4Å; P1013-M1123 WeakPolarHBondContact CD-SD 3.48Å; P1013-M1123 CarbonylContact O-C 3.53Å; P1013-M1123 WeakPolarHBondContact O-CA 3.33Å; P1013-M1123 WeakPolarHBondContact O-CB 3.43Å; P1013-M1123 WeakPolarHBondContact O-CG 3.34Å; P1013-C1124 PolarHBondContact O-N 2.8Å; P1013-C1124 VanDerWaalsContact O-N 3.16Å | ||
| 1014 | H | 26.6 | Very low | 32.6 | Very low | 95 Ų | 95 | 118.3 Ų | 118.3 | 44% | 0.44 | 69% | 0.694 | S | S | . | * | trans | -102.9 | 133.7 | 168.6 | -68.9 | -81 | 0 | 0 | 0 | 107.7 | R1122 | H1014-R1122 HydrophobicContact CB-CB 3.86Å; H1014-R1122 HydrophobicContact CB-CG 4.05Å; H1014-R1122 VanDerWaalsContact CD2-CB 3.47Å; H1014-R1122 WeakPolarHBondContact CD2-CB 3.45Å; H1014-R1122 WeakPolarHBondContact CD2-CG 3.15Å | ||
| 1015 | S | 28.2 | Very low | 33 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | trans | 52.7 | 178.7 | 158.7 | 63.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1016 | P | 41.3 | Very low | 33.7 | Very low | 111 Ų | 111 | 118 Ų | 118 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | cis | -122 | -169.9 | -22.9 | 36.2 | -17.1 | 0 | 0 | 0 | 113 | ||||
| 1017 | S | 25.4 | Very low | 34.1 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | trans | 23.2 | 133.7 | 145.5 | 64.5 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1018 | T | 29.6 | Very low | 34.5 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | 79.3 | 140.8 | 128 | 52 | 0 | 0 | 0 | 0 | 127 | |||||
| 1019 | Q | 34.2 | Very low | 34.9 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | 78 | 121.2 | 146.6 | -79.2 | 176.8 | -0.5 | 0 | 0 | 120.8 | ||||
| 1020 | Q | 36.5 | Very low | 36.4 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | 87.2 | 155.9 | 89 | -81.8 | -169.6 | 12.2 | 0 | 0 | 114.6 | |||||
| 1021 | S | 40.9 | Very low | 36.9 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | cis | -171.6 | 168.8 | -10.4 | 47.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1022 | E | 32 | Very low | 37.5 | Very low | 178 Ų | 178 | 124.9 Ų | 124.9 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | trans | 164.5 | 166 | 149.8 | -88.6 | -81 | 92.3 | 0 | 0 | 112.6 | ||||
| 1023 | P | 50.5 | Low | 37.3 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | -139.6 | -175.2 | -148.6 | 41.8 | -23 | 0 | 0 | 0 | 120.4 | ||||
| 1024 | K | 37.3 | Very low | 37.2 | Very low | 194 Ų | 194 | 140 Ų | 140 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | 125.9 | 143.7 | 124.8 | -139.6 | 173.9 | -164.5 | 167.3 | 0 | 120.7 | |||||
| 1025 | V | 35.8 | Very low | 38 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 103.9 | 91.8 | 152.2 | -167.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1026 | V | 41.9 | Very low | 38.4 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | 67.7 | 129.4 | 122.5 | 179.5 | 0 | 0 | 0 | 0 | 127.3 | |||||
| 1027 | R | 38.7 | Very low | 37.9 | Very low | 237 Ų | 237 | 147.1 Ų | 147.1 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | trans | 70.5 | 150.3 | 156 | -91.9 | -177 | 162 | 89 | -1.1 | 120.4 | ||||
| 1028 | A | 38 | Very low | 38.2 | Very low | 91 Ų | 91 | 147.9 Ų | 147.9 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | -153.4 | 170.8 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1029 | D | 36.6 | Very low | 38.6 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -81.2 | 175.8 | 179 | -144.7 | 37.3 | 0 | 0 | 0 | 111.7 | ||||
| 1030 | P | 58.6 | Low | 38.7 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -147.6 | 169.8 | 19.7 | 45.1 | -24 | 0 | 0 | 0 | 123.1 | ||||
| 1031 | Q | 39.8 | Very low | 38.4 | Very low | 181 Ų | 181 | 149 Ų | 149 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | 108.3 | 70.2 | 132.2 | -103.7 | 167.1 | -9.8 | 0 | 0 | 123.3 | ||||
| 1032 | G | 35.4 | Very low | 37.7 | Very low | 77 Ų | 77 | 150.1 Ų | 150.1 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 110.2 | 154.4 | 135.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1033 | R | 35.5 | Very low | 37.5 | Very low | 250 Ų | 250 | 146.9 Ų | 146.9 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | cis | -179 | 140.4 | 4.3 | 149.3 | -174.4 | 171.9 | -179.8 | -2 | 108.3 | ||||
| 1034 | R | 38.4 | Very low | 36.4 | Very low | 219 Ų | 219 | 147.7 Ų | 147.7 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | cis | -174.4 | 133.8 | -16 | 173.2 | -162.2 | 178.6 | -73.9 | 1.5 | 107.5 | ||||
| 1035 | R | 42.4 | Very low | 35.9 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | cis | -175.8 | 144.3 | -16.7 | -111.2 | 178.3 | -179.9 | -129.3 | 12.9 | 107.1 | ||||
| 1036 | H | 37.6 | Very low | 35.5 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 82.2 | 151.7 | 143 | -62.8 | -8.8 | 0 | 0 | 0 | 121.8 | ||||
| 1037 | S | 30.3 | Very low | 34.7 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | -160.7 | 170.9 | -7.5 | 37.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1038 | S | 32.5 | Very low | 34.1 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -81.6 | 176.8 | -177.4 | 54.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1039 | E | 37.9 | Very low | 33.5 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -68.7 | 151.5 | 175.9 | -52.6 | 141.2 | 112.4 | 0 | 0 | 114.1 | ||||
| 1040 | T | 36.6 | Very low | 33.7 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | -161.9 | 134 | 154.2 | -34.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1041 | F | 30.7 | Very low | 32.8 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | 153.7 | 166.2 | 124.7 | -87 | -63.5 | 0 | 0 | 0 | 115.7 | |||||
| 1042 | S | 25.1 | Very low | 32.5 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -109.9 | 173.8 | -160.9 | -46.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1043 | S | 27.5 | Very low | 32.4 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -71.9 | -170.6 | -178.2 | -32 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1044 | S | 27.7 | Very low | 32.4 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | 97.6 | 147.2 | 178.5 | -30.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1045 | S | 25.9 | Very low | 32.1 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | cis | -154.9 | 172.3 | 15.5 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1046 | S | 28.7 | Very low | 31.4 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 65.3 | 133.9 | 154.4 | 31.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1047 | S | 24.2 | Very low | 31.2 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | 66.6 | 146.8 | 57.9 | 89.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 1048 | N | 26.6 | Very low | 32.2 | Very low | 138 Ų | 138 | 121 Ų | 121 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -160.6 | 167.2 | 33.3 | -158.2 | 20.7 | 0 | 0 | 0 | 115.3 | ||||
| 1049 | S | 26.3 | Very low | 32.2 | Very low | 84 Ų | 84 | 120.4 Ų | 120.4 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | trans | 53.5 | 117.3 | 141.7 | 62.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1050 | T | 39.8 | Very low | 31.9 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -47.9 | 144 | 131.8 | 46.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1051 | P | 39.7 | Very low | 31.6 | Very low | 117 Ų | 117 | 120.6 Ų | 120.6 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | -150.5 | -176.6 | 76.4 | 40.6 | -21.1 | 0 | 0 | 0 | 117.1 | |||||
| 1052 | S | 33.3 | Very low | 31.8 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -59.5 | 172.9 | 166.5 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1053 | S | 34.6 | Very low | 33.3 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -165.5 | 169.8 | 26.5 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1054 | S | 33.8 | Very low | 33.2 | Very low | 112 Ų | 112 | 118.2 Ų | 118.2 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | 59 | 146 | 145.6 | 55.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1055 | A | 32.6 | Very low | 33.4 | Very low | 87 Ų | 87 | 117.3 Ų | 117.3 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | cis | -153.1 | -175.7 | -8.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1056 | T | 28.2 | Very low | 34.8 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | 179.9 | 164.4 | 66.8 | -40.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1057 | H | 33.1 | Very low | 35 | Very low | 181 Ų | 181 | 120.2 Ų | 120.2 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -111.8 | -171.7 | 175.2 | -85.5 | -62.9 | 0 | 0 | 0 | 111.2 | ||||
| 1058 | P | 52.5 | Low | 35.5 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | cis | -123.9 | -137.1 | 8.1 | 27 | 1.4 | 0 | 0 | 0 | 112.4 | ||||
| 1059 | S | 31.6 | Very low | 35.8 | Very low | 94 Ų | 94 | 121.1 Ų | 121.1 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | cis | -166.3 | 179.9 | 10.4 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1060 | L | 30.8 | Very low | 36.1 | Very low | 165 Ų | 165 | 120.6 Ų | 120.6 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 69.3 | 134.7 | 174.7 | -62 | 168.7 | 0 | 0 | 0 | 116.9 | ||||
| 1061 | S | 31.4 | Very low | 35.7 | Very low | 115 Ų | 115 | 119.2 Ų | 119.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -152.7 | 174.7 | -11 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1062 | N | 33.7 | Very low | 35.2 | Very low | 154 Ų | 154 | 123.7 Ų | 123.7 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -126.6 | -166 | -160.9 | -143.5 | 17.9 | 0 | 0 | 0 | 110.6 | ||||
| 1063 | P | 56.6 | Low | 35.1 | Very low | 102 Ų | 102 | 127 Ų | 127 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | cis | -141.3 | 170.6 | -5.2 | 42.4 | -23.8 | 0 | 0 | 0 | 118.5 | ||||
| 1064 | S | 25.8 | Very low | 34.9 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | 159.4 | 161.8 | 126.1 | -70.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1065 | A | 32.6 | Very low | 34.7 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -145.2 | -172.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1066 | P | 54 | Low | 34.7 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | cis | -146.1 | -172.3 | 7.3 | 45.1 | -24.9 | 0 | 0 | 0 | 118.9 | ||||
| 1067 | N | 33.8 | Very low | 35.1 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | 103.8 | 126 | 144.9 | -78.8 | -3.9 | 0 | 0 | 0 | 125.1 | ||||
| 1068 | A | 35 | Very low | 35.1 | Very low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 95 | 98.3 | 137.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1069 | N | 33.7 | Very low | 34.3 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | trans | 53.2 | 144.5 | 135.4 | -58.7 | 0.6 | 0 | 0 | 0 | 124.1 | ||||
| 1070 | G | 31.1 | Very low | 34.3 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -155.3 | -92.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1071 | S | 31 | Very low | 34.8 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 93.8 | 141.8 | 167.5 | 80.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1072 | Y | 29.4 | Very low | 35 | Very low | 212 Ų | 212 | 131.1 Ų | 131.1 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | 81.6 | 105.4 | 148.8 | -59.8 | -54.2 | 0 | 0 | 0 | 128.4 | ||||
| 1073 | Q | 31.8 | Very low | 34.7 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | 82.9 | 133 | 113.8 | -102.8 | -165.7 | 10.3 | 0 | 0 | 130.7 | |||||
| 1074 | T | 30 | Very low | 33.3 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 102.8 | 154.8 | 132 | -54.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1075 | E | 29.7 | Very low | 33.5 | Very low | 195 Ų | 195 | 132.9 Ų | 132.9 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -128.5 | -170 | -159.9 | -62.4 | 173.4 | 69 | 0 | 0 | 115.7 | ||||
| 1076 | G | 32.7 | Very low | 33.2 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | cis | -165.7 | -130.5 | 26.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1077 | Q | 36.5 | Very low | 32.1 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -145.7 | 165.3 | -161.9 | -63.5 | -173.4 | -5.4 | 0 | 0 | 120.9 | ||||
| 1078 | T | 33 | Very low | 32 | Very low | 113 Ų | 113 | 134 Ų | 134 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | trans | 166 | 154.3 | 133.5 | 35 | 0 | 0 | 0 | 0 | 114.8 | P1092 | T1078-P1092 VanDerWaalsContact O-CG 3.24Å; T1078-P1092 WeakPolarHBondContact O-CG 3.39Å | ||
| 1079 | S | 35.2 | Very low | 31.8 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | -142.4 | 147.5 | -156.1 | -51 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1080 | S | 33.3 | Very low | 31.7 | Very low | 57 Ų | 57 | 133 Ų | 133 | 40% | 0.399 | 78% | 0.779 | S | S | . | * | trans | -180 | -177.8 | 175.3 | 63.6 | 0 | 0 | 0 | 0 | 117.2 | S1091 A1093 | S1080-S1091 PolarHBondContact O-OG 2.9Å; S1080-A1093 VanDerWaalsContact CB-O 3.26Å; S1080-A1093 WeakPolarHBondContact CB-O 3.47Å; S1080-A1093 PolarHBondContact OG-N 3.32Å; S1080-A1093 PolarHBondContact OG-O 3.49Å | ||
| 1081 | V | 41.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -154.2 | 151.7 | -159.7 | -179.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1082 | W | 34.3 | Very low | 32.2 | Very low | 224 Ų | 224 | 131.5 Ų | 131.5 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | 163.1 | 128.9 | 127.2 | -94.3 | 84.8 | 0 | 0 | 0 | 118.6 | |||||
| 1083 | M | 28.6 | Very low | 32.4 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | 70.4 | 118.9 | 155.8 | -85.1 | -68.9 | 162.9 | 0 | 0 | 126.7 | ||||
| 1084 | S | 26.7 | Very low | 32.3 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | 71.5 | 143.9 | 150.1 | -71.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1085 | L | 29.3 | Very low | 32.4 | Very low | 155 Ų | 155 | 127 Ų | 127 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 69 | 103.9 | 174.5 | -162.1 | 65.6 | 0 | 0 | 0 | 117.7 | ||
| 1086 | E | 26.8 | Very low | 32.2 | Very low | 191 Ų | 191 | 122.5 Ų | 122.5 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 36.1 | 86.4 | 137.2 | -161 | 162.9 | -167.5 | 0 | 0 | 119 | ||
| 1087 | G | 30.3 | Very low | 32 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | trans | 161.7 | 128.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1088 | A | 32.7 | Very low | 31.4 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 96% | 0.959 | 72% | 0.724 | S | S | * | * | trans | -57.4 | 151 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1089 | G | 31.1 | Very low | 31.1 | Very low | 70 Ų | 70 | 128.4 Ų | 128.4 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | 132.3 | 153.9 | 154 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1090 | D | 32.1 | Very low | 30.7 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 93% | 0.925 | 74% | 0.736 | S | S | * | * | trans | -78.5 | 153.3 | 164.6 | -54.5 | -81.2 | 0 | 0 | 0 | 110.4 | ||||
| 1091 | S | 27.8 | Very low | 30.5 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | trans | -133.3 | -4.2 | -135.8 | 56 | 0 | 0 | 0 | 0 | 127.2 | S1080 | S1080-S1091 PolarHBondContact O-OG 2.9Š| ||
| 1092 | P | 44.9 | Very low | 29.9 | Very low | 59 Ų | 59 | 134.7 Ų | 134.7 | 38% | 0.383 | 75% | 0.752 | S | S | . | * | -135.4 | 173.9 | -119.2 | 15 | 11.6 | 0 | 0 | 0 | 123.7 | T1078 | T1078-P1092 VanDerWaalsContact O-CG 3.24Å; T1078-P1092 WeakPolarHBondContact O-CG 3.39Å | |||
| 1093 | A | 32.6 | Very low | 29.9 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 60% | 0.595 | 74% | 0.744 | S | S | * | * | trans | -164 | 169.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | S1080 | S1080-A1093 VanDerWaalsContact CB-O 3.26Å; S1080-A1093 WeakPolarHBondContact CB-O 3.47Å; S1080-A1093 PolarHBondContact OG-N 3.32Å; S1080-A1093 PolarHBondContact OG-O 3.49Å | ||
| 1094 | H | 30.7 | Very low | 30.1 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | -141.8 | 146.1 | -173.1 | -142.6 | -62 | 0 | 0 | 0 | 116.7 | ||||
| 1095 | H | 30.6 | Very low | 30.3 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | 75.8 | 166.9 | 162.6 | -129.4 | -91.5 | 0 | 0 | 0 | 123.5 | ||||
| 1096 | T | 26.6 | Very low | 30.5 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | trans | -97.5 | 156.6 | -156.2 | 60.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1097 | Q | 26.9 | Very low | 30.9 | Very low | 175 Ų | 175 | 125.1 Ų | 125.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | 176.2 | 131.6 | 119.4 | -98.4 | -172.4 | 31.3 | 0 | 0 | 117.6 | |||||
| 1098 | V | 25.2 | Very low | 30.9 | Very low | 112 Ų | 112 | 125 Ų | 125 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | 54 | 128.4 | 127.4 | -179.7 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1099 | R | 26.1 | Very low | 30.8 | Very low | 214 Ų | 214 | 126 Ų | 126 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | trans | 72.4 | 130.7 | 157.8 | -84.7 | 176.2 | 167 | 159.9 | -3.9 | 118.8 | ||||
| 1100 | N | 26.7 | Very low | 31.3 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | 69.1 | 144.3 | 79.1 | -61.1 | 33.5 | 0 | 0 | 0 | 113.2 | |||||
| 1101 | A | 29.9 | Very low | 32.2 | Very low | 75 Ų | 75 | 126.2 Ų | 126.2 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | cis | -153 | -174.7 | 19.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1102 | E | 28.7 | Very low | 32.7 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | trans | 72.1 | 151.9 | 155.7 | -69.8 | 166.2 | 115.5 | 0 | 0 | 118.4 | ||||
| 1103 | T | 34.6 | Very low | 32.2 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | cis | -127.2 | 171.5 | 9.3 | 62 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1104 | D | 31.5 | Very low | 32.3 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | 74.5 | 140.6 | 150.7 | -58.1 | -45.9 | 0 | 0 | 0 | 122.9 | ||||
| 1105 | A | 30.9 | Very low | 32.4 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | -154.8 | 158.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1106 | V | 33.8 | Very low | 32.6 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -133.2 | 139 | 163.1 | 176.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1107 | S | 35.9 | Very low | 32.8 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -106.4 | 165.3 | -156.5 | -57.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1108 | G | 28.8 | Very low | 33.2 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | -161.4 | 70.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1109 | N | 32.5 | Very low | 33.7 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | 32.5 | 123.5 | 159.7 | -58.8 | -7.3 | 0 | 0 | 0 | 121.2 | ||||
| 1110 | I | 41.5 | Very low | 34.2 | Very low | 148 Ų | 148 | 116.9 Ų | 116.9 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | 76.7 | 139.4 | 55.1 | -64.8 | 167.5 | 0 | 0 | 0 | 112.1 | |||||
| 1111 | P | 49.6 | Very low | 34.5 | Very low | 99 Ų | 99 | 113.4 Ų | 113.4 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | cis | -139.9 | 141.7 | 11.6 | 29.6 | -5.6 | 0 | 0 | 0 | 120.6 | ||||
| 1112 | T | 38.4 | Very low | 35 | Very low | 137 Ų | 137 | 116.8 Ų | 116.8 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 59 | 171.2 | 133 | 75.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1113 | S | 35.2 | Very low | 35.3 | Very low | 103 Ų | 103 | 114 Ų | 114 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | cis | -156.7 | 136.1 | 9.3 | 58.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1114 | A | 35 | Very low | 35.2 | Very low | 105 Ų | 105 | 112.4 Ų | 112.4 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | 50.4 | 164.8 | 133.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1115 | S | 31.9 | Very low | 35.5 | Very low | 102 Ų | 102 | 115.9 Ų | 115.9 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | -157.2 | 157.6 | 2.3 | 65.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1116 | S | 34.2 | Very low | 35.6 | Very low | 113 Ų | 113 | 117.5 Ų | 117.5 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | 53.5 | 133.4 | 138.2 | 65 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1117 | G | 31.2 | Very low | 35.5 | Very low | 71 Ų | 71 | 116.4 Ų | 116.4 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | 134.6 | 96 | 118.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1118 | V | 36.2 | Very low | 35.3 | Very low | 160 Ų | 160 | 115.6 Ų | 115.6 | 97% | 0.97 | 73% | 0.731 | S | S | * | * | trans | 32.5 | 133.7 | 137.2 | -169.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1119 | G | 34.3 | Very low | 35.4 | Very low | 76 Ų | 76 | 119.1 Ų | 119.1 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | 163.8 | 139.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1120 | A | 37.1 | Very low | 35.3 | Very low | 98 Ų | 98 | 116.1 Ų | 116.1 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -110.4 | 159.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1121 | S | 33.7 | Very low | 34.8 | Very low | 75 Ų | 75 | 120.1 Ų | 120.1 | 52% | 0.524 | 75% | 0.746 | S | S | . | * | trans | 86.3 | 115.9 | 147.4 | -105.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1122 | R | 39.6 | Very low | 34 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 55% | 0.551 | 75% | 0.752 | S | S | * | * | trans | 89.6 | 175.2 | 141.8 | -16.5 | -151 | 166.2 | -159.6 | -1.4 | 118.7 | P1012 P1013 H1014 | P1012-R1122 VanDerWaalsContact O-CB 3.28Å; P1012-R1122 WeakPolarHBondContact O-CB 3.18Å; P1012-R1122 WeakPolarHBondContact O-CG 3.46Å; P1013-R1122 VanDerWaalsContact C-CB 3.4Å; H1014-R1122 HydrophobicContact CB-CB 3.86Å; H1014-R1122 HydrophobicContact CB-CG 4.05Å; H1014-R1122 VanDerWaalsContact CD2-CB 3.47Å; H1014-R1122 WeakPolarHBondContact CD2-CB 3.45Å; H1014-R1122 WeakPolarHBondContact CD2-CG 3.15Å | ||
| 1123 | M | 35.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 61% | 0.606 | 75% | 0.749 | S | S | * | * | cis | -163.8 | 173.7 | 48.5 | 166 | 170.9 | 174.6 | 0 | 0 | 114.5 | P1013 | P1013-M1123 WeakPolarHBondContact CD-SD 3.48Å; P1013-M1123 CarbonylContact O-C 3.53Å; P1013-M1123 WeakPolarHBondContact O-CA 3.33Å; P1013-M1123 WeakPolarHBondContact O-CB 3.43Å; P1013-M1123 WeakPolarHBondContact O-CG 3.34Å | ||
| 1124 | C | 33.1 | Very low | 33.7 | Very low | 80 Ų | 80 | 122 Ų | 122 | 54% | 0.541 | 75% | 0.749 | S | S | . | * | trans | -125 | 138.6 | -178.1 | -52.8 | 0 | 0 | 0 | 0 | 118.3 | P1013 | P1013-C1124 PolarHBondContact O-N 2.8Å; P1013-C1124 VanDerWaalsContact O-N 3.16Å | ||
| 1125 | R | 36.5 | Very low | 33.8 | Very low | 228 Ų | 228 | 122.5 Ų | 122.5 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | 175.1 | 132.9 | 128.2 | -110.8 | -173.6 | 172.8 | 169.3 | -0.1 | 117.4 | |||||
| 1126 | N | 34.4 | Very low | 33.8 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | trans | 43 | 144.8 | 136.6 | -67.6 | 28.3 | 0 | 0 | 0 | 126.3 | ||||
| 1127 | T | 31.5 | Very low | 33.7 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | 67.8 | 149.5 | 144.7 | 45.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1128 | S | 31.4 | Very low | 34.4 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | cis | -172.5 | 145.3 | -14.7 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1129 | V | 31.1 | Very low | 34.3 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 90% | 0.897 | 71% | 0.707 | S | S | * | * | trans | 52.4 | 123.7 | 150.4 | -179 | 0 | 0 | 0 | 0 | 120 | ||||
| 1130 | G | 30.3 | Very low | 34.7 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 71% | 0.709 | S | S | * | * | trans | 176.2 | 121.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1131 | Y | 31.3 | Very low | 34.6 | Very low | 232 Ų | 232 | 132.8 Ų | 132.8 | 91% | 0.91 | 72% | 0.715 | S | S | * | * | trans | -102.6 | 137.8 | 174.8 | -86.8 | -96 | 0 | 0 | 0 | 110.7 | ||||
| 1132 | Q | 32 | Very low | 35 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | 171.8 | 140.4 | 112.2 | -99.3 | -169.4 | -28.1 | 0 | 0 | 113.9 | |||||
| 1133 | N | 34.3 | Very low | 34.7 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | 59.1 | 148.5 | 147.5 | -49.5 | -15.4 | 0 | 0 | 0 | 120.1 | ||||
| 1134 | G | 33.7 | Very low | 34.9 | Very low | 71 Ų | 71 | 143.1 Ų | 143.1 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | 134 | 69.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1135 | L | 37.3 | Very low | 35.4 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 60% | 0.597 | 79% | 0.785 | S | S | * | * | trans | -58.7 | 151.6 | -177.2 | -48 | -173.5 | 0 | 0 | 0 | 114.1 | P604 P605 | P604-L1135 WeakPolarHBondContact O-CB 3.12Å; P604-L1135 WeakPolarHBondContact O-CD1 3.13Å; P605-L1135 WeakPolarHBondContact O-CD2 3.32Å | ||
| 1136 | N | 32 | Very low | 35.4 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | -149.2 | 147.3 | 164.2 | -112.2 | -48.9 | 0 | 0 | 0 | 111.1 | P605 | P605-N1136 WeakPolarHBondContact CD-O 3.47Å; P605-N1136 WeakPolarHBondContact CG-O 3.39Å | ||
| 1137 | Y | 31.8 | Very low | 35.4 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 44% | 0.439 | 79% | 0.786 | S | S | . | * | trans | -94.5 | 165.1 | -178.7 | -80.1 | -118.8 | 0 | 0 | 0 | 113.1 | R603 P604 | R603-Y1137 VanDerWaalsContact CA-CD1 3.48Å; R603-Y1137 VanDerWaalsContact CA-OH 3.27Å; R603-Y1137 WeakPolarHBondContact CA-OH 3.38Å; R603-Y1137 HydrophobicContact CB-CD1 3.99Å; R603-Y1137 HydrophobicContact CB-CE1 3.61Å; R603-Y1137 HydrophobicContact CG-CD1 3.63Å; R603-Y1137 HydrophobicContact CG-CE1 3.44Å; R603-Y1137 VanDerWaalsContact CG-CE1 3.44Å; R603-Y1137 WeakPolarHBondContact O-CB 3.47Å; R603-Y1137 WeakPolarHBondContact O-CD1 3.48Å; R603-Y1137 WeakPolarHBondContact O-CD2 3.23Å; R603-Y1137 VanDerWaalsContact O-CE1 3.28Å; R603-Y1137 WeakPolarHBondContact O-CE1 3.27Å; R603-Y1137 WeakPolarHBondContact O-CE2 2.62Å; P604-Y1137 WeakPolarHBondContact CA-OH 3.39Å; P604-Y1137 HydrophobicContact CB-CD1 4.02Å; P604-Y1137 HydrophobicContact CB-CE1 3.3Å; P604-Y1137 HydrophobicContact CB-CE2 4.02Å; P604-Y1137 HydrophobicContact CG-CD1 3.34Å; P604-Y1137 HydrophobicContact CG-CE1 3.29Å; P604-Y1137 HydrophobicContact CG-CG 4.01Å; P604-Y1137 WeakPolarHBondContact O-CD2 3.28Å; P604-Y1137 WeakPolarHBondContact O-CE2 3.19Å | ||
| 1138 | I | 45.1 | Very low | 35.6 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | -130.2 | 137.5 | 156.7 | -63.4 | 177.6 | 0 | 0 | 0 | 107.2 | ||||
| 1139 | A | 35.7 | Very low | 35.9 | Very low | 72 Ų | 72 | 150.7 Ų | 150.7 | 60% | 0.595 | 79% | 0.792 | S | S | * | * | trans | -93.3 | 147.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1140 | L | 42.4 | Very low | 36.2 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -116.1 | 118 | 174.3 | -66.7 | 175.1 | 0 | 0 | 0 | 109 | ||||
| 1141 | E | 34.4 | Very low | 36.6 | Very low | 198 Ų | 198 | 156 Ų | 156 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 122.8 | 166.1 | -66.4 | -175.4 | 139.4 | 0 | 0 | 108.8 | ||
| 1142 | L | 42.4 | Very low | 36.9 | Very low | 168 Ų | 168 | 150.6 Ų | 150.6 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 124.6 | 166.1 | -84.4 | 158.6 | 0 | 0 | 0 | 108.2 | ||
| 1143 | R | 33.8 | Very low | 37.3 | Very low | 206 Ų | 206 | 149.7 Ų | 149.7 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 135.6 | 163 | -81.2 | -176.5 | 50.6 | -174 | -13 | 109.1 | ||
| 1144 | E | 39 | Very low | 37.6 | Very low | 186 Ų | 186 | 150 Ų | 150 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 143.9 | 168.8 | -60 | 173 | 128.9 | 0 | 0 | 109.6 | ||
| 1145 | D | 43.4 | Very low | 37.9 | Very low | 218 Ų | 218 | 157.2 Ų | 157.2 | 100% | 1.166 | 79% | 0.785 | S | S | * | * | trans | -143.8 | 0 | 164 | -79.4 | -49.2 | 0 | 0 | 0 | 107.3 |
Retrieved 1,145 of 1,145 residues in 739.8 ms
(Link to these results)